United States
Environmental Protection
Agency
Office of
Research and
Development
Environmental Research
Laboratory
Athens, Georgia 30605
EPA-600/7-78-004
January 1978
IDENTIFICATION OF
COMPONENTS OF ENERGY
RELATED WASTES AND
EFFLUENTS
Interagency
Energy-Environment
Research and Development
Program Report
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RESEARCH REPORTING SERIES
Research reports of the Office of Research and Development, U.S. Environmental
Protection Agency, have been grouped into nine series. These nine broad cate-
gories were established to facilitate further development and application of en-
vironmental technology. Elimination of traditional grouping was consciously
planned to foster technology transfer and a maximum interface in related fields.
The nine series are:
1. Environmental Health Effects Research
2. Environmental Protection Technology
3. Ecological Research
4. Environmental Monitoring
5. Socioeconomic Environmental Studies
6. Scientific and Technical Assessment Reports (STAR)
7. Interagency Energy-Environment Research and Development
8. "Special" Reports
9. Miscellaneous Reports
This report has been assigned to the INTERAGENCY ENERGY-ENVIRONMENT
RESEARCH AND DEVELOPMENT series. Reports in this series result from the
effort funded under the 17-agency Federal Energy/Environment Research and
Development Program. These studies relate to EPA's mission to protect the public
health and welfare from adverse effects of pollutants associated with energy sys-
tems. The goal of the Program is to assure the rapid development of domestic
energy supplies in an environmentally-compatible manner by providing the nec-
essary environmental data and control technology. Investigations include analy-
ses of the transport of energy-related pollutants and their health and ecological
effects; assessments of, and development of, control technologies for energy
systems; and integrated assessments of a wide range of energy-related environ-
mental issues.
This document is available to the public through the National Technical Informa-
tion Service, Springfield, Virginia 22161.
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EPA-600/7-78-004
January 1978
IDENTIFICATION OF COMPONENTS OF ENERGY-RELATED
WASTES AND EFFLUENTS
by
Edo D. Pellizzari
Research Triangle Institute
Research Triangle Park, North Carolina 27709
Contract No. 68-03-2368
Project Officer
Ann Alford
Analytical Chemistry Branch
Environmental Research Laboratory
Athens, Georgia 30605
ENVIRONMENTAL RESEARCH LABORATORY
OFFICE OF RESEARCH AND DEVELOPMENT
U.S. ENVIRONMENTAL PROTECTION AGENCY
ATHENS, GEORGIA 30605
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DISCLAIMER
This report has been reviewed by the Environmental Research Laboratory,
U.S. Environmental Protection Agency, Athens, Georgia, and approved for
publication. Approval does not signify that the contents necessarily reflect
the views and policies of the U.S. Environmental Protection Agency, nor does
mention of trade names or commercial products constitute endorsement or
recommendation for use.
11
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FOREWORD
Nearly every phase of environmental protection depends on a capability to
identify and measure specific pollutants in the environment. As part of this
Laboratory's research on the occurrence, movement, transformation, impact, and
control of environmental contaminants, the Analytical Chemistry Branch develops
and assesses techniques for identifying and measuring chemical constituents of
water and soil.
Efforts to achieve our national goal of energy independence will require
increasing utilization of our country's vast domestic coal reserves as well as
resources available from oil shale and tar sands. Production of synthetic
fuels using coal gasification, coal liquefaction, oil-shale retorting, and
other processes offers promise of meeting many of our energy needs. Of col-
lateral importance with the production of energy, however, is assuring that
toxic or undesirable substances in energy process effluent are identified and
properly controlled to prevent human health problems and reduce environmental
degradation. This report provides a state-of-the-art review of existing and
probable future data on organic compounds and chemical elements in solid waste
and aqueous effluents from several synthetic fuel processes so that potential
environmental pollution problems can be anticipated.
David W. Duttweiler
Director
Environmental Research Laboratory
Athens, Georgia
iii
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ABSTRACT
A state-of-the-art review on the characterization of organic and elemental
substances in energy-related liquid and solid effluents was conducted. Previous
and on-going research programs and reports were reviewed to summarize the existing
and probable future data on chemical elements and organic compounds in solid
waste and aqueous effluents from (a) coal liquefaction and gasification plants,
(b) coal-fired power plants, (c) oil-shale processors, (d) oil refineries, (e)
coal mines and (f) geothermal energy. The reliability of existing information
and the probability of accumulation of adequate data from current and past
contracts and projects was evaluated according to preselected criteria.
Based upon the absence of adequate data on the composition of energy samples,
a chemical characterization program was conducted for several energy-related
processes. The necessary preconcentrations and purifications were performed on
these samples and the volatile and semi-volatile organic compounds were identi-
fied and quantified. Samples for organic and mercury analysis were subjected to
a single analytical protocol in each case to permit comparison among samples.
Organic constituents were analyzed by gas chromatography/mass spectrometry/com-
puter and elemental components were determined and measured by spark-source mass
spectrometry for all the elements in the periodic chart through uranium except
oxygen, helium, hydrogen, neon, krypton, xenon, radon, nitrogen and carbon. The
analysis of mercury was performed by flameless atomic absorption spectrophotometry.
IV
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CONTENTS
Abstract iv
Figures vii
Tables xiii
Acknowledgments xxiv
1. Introduction 1
2. Conclusions 6
3. Recommendations 8
4. Program Objectives >->
5. State-of-the-Art Review on Characterization of Organic and
Elemental Substances in Energy-Related Effluents 10
6. Samples and Sampling Procedure 29
7. Physical Methods of Analysis 35
8. Results and Discussion 59
References 90
Appendices
A. Abstracts of Technical Reports and Current Projects on
Characterization and Assessment of Effluents from Energy-
Related Processes 94
Section I - Oil-Shale Processing 95
Part I: Technical Reports 95
Part II: Current Projects 106
Section II - Coal Gasification and Liquefaction 109
Part I: Technical Reports 109
Part II: Current Projects 175
Section III - Coal-Fired Power Plants 188
Part I: Technical Reports 188
Part II: Current Projects 208
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CONTENTS (cont'd)
Section IV - Coal Related Pollution 212
Part I: Technical Reports 212
Part II: Current Projects 220
Section V - Oil Refineries 227
Part I: Technical Reports 227
Part II: Current Projects 231
Section VI - Tar Sands 232
Part I: Technical Reports 232
Part II: Current Projects 233
B. Elemental Constituents in Liquid and Solid Effluents From
Energy-Related Processes 236
Part I: Samples from In Situ Oil-Shale Gasification 237
Part II: Samples from Low Btu Gasification of Rosebud Coal. . 240
Part III: Samples from In Situ Coal Gasification in
Gillette, WY 247
Part IV: Samples from In Situ Coal Gasification in Hanna, WY. 265
C. Volatile Organic Substances in Liquid and Solid Effluents
From Energy-Related Processes 285
Part I: Samples from Oil-Shale Processing 286
Part II: Samples from Low Btu Gasification of Rosebud Coal. . 295
Part III: Samples from In Situ Coal Gasification in
Gillette, WY 311
Part IV: Samples from In Situ Coal Gasification in Hanna, WY. 354
D. Semi-Volatile Organic Substances in Liquid and Solid
Effluents from Energy-Related Processes 401
Part I: Samples from Oil-Shale Processing 402
Part II: Samples from Low Btu Gasification of Rosebud Coal. . 412
Part III: Samples from In Situ Coal Gasification in
Gillette, WY 426
Part IV: Samples from In Situ Coal Gasification in Hanna, WY. 459
vi
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FIGURES
Number Page
1 Calibration curve for total mercury analysis in aqueous
samples 39
2 Apparatus for VGA purge 44
3 Schematic for recovery and analysis of semi-volatile organics
from water or liquid tar samples 46
4 Thermal desorption inlet-manifold 48
5 Schematic diagram of gc-ms computer system and library
search system 50
6 Mass fragmentogram (m/e 236, 186, 71, 114, 67) of volatile
organics in product water (-13L) from in situ coal
gasification (LERC, ERDA) 65
7 Mass fragmentogram (m/e 186, 106, 107) of volatile organics
in product water (-13L) from in situ coal gasification
(LERC, ERDA) 66
8 Mass fragmentograms (m/e 186, 121, 94, 95, 120) of volatile
organics in product water (-13L) from in situ coal
gasification (LERC, ERDA) 67
9 Mass fragmentograms (m/e 186, 85) for volatile organics in
product water (-13L) from in situ coal gasification
(LERC, ERDA) 68
10 Mass fragmentograms (m/e 186, 105) of volatile organics in
product water (-13L) from in situ coal gasification
(LERC, ERDA) 69
11 Mass fragmentograms (m/e 186, 131) of volatile organics in
product water (-13L) from in situ coal gasification
(LERC, ERDA) 70
12 Mass fragmentograms (m/e 186, 156, 152) of volatile organics
in product water (-13L) from in situ coal gasification
(LERC, ERDA) 71
vii
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FIGURES (cont'd)
Number Pa?e
13 Total ion current chromatogram obtained by gc-ms of semi-
volatile organics in acid fraction of product water
(-8L) in situ coal gasification (LERC, ERDA) 73
14 Gas-liquid chromatogram (flame detection) of acid fraction
from product water (-8L) obtained during in situ
coal gasification 74
15 On-the-fly FT-IR spectrum of peak No. 6 (ca. 60 ng) in
Fig. 14 75
16 On-the-fly FT-IR spectrum of peak No. 8 (ca. 125 ng) in
Fig. 14 75
17 On-the-fly FT-IR spectrum of peak No. 10 (ca. 175 ng) in
Fig- 14 76
18 On-the-fly FT-IR spectrum of peak No. 12 (ca. 180 ng) in
Fig. 14 76
19 On-the-fly FT-IR spectrum of peak No. 14 (ca. 110 ng) in
Fig- 14 78
20 On-the-fly FT-IR spectrum of peak No. 21 (>3 |Jg) in Fig.
I* 78
21 On-the-fly FT-IR spectrum of peak No. 22 (ca. 80 ng) in
Fig. 14 79
22 On-the-fly FT-IR spectrum of peak No. 23 (ca. 75 ng) in
Fig. 14 79
23 On-the-fly FT-IR spectrum of peak No. 18 (ca. 30 ng) in
Fi8- 14 80
24 "Chemigram" (IR detection of acid fraction from product
water obtained during in situ coal gasification ... QA
25 On-the-fly FT-IR spectrum of methyl hexanoate (Files 20-
30 of chemigram co-added and smoothed) g5
26 On-the-fly FT-IR spectrum of methyl heptanoate (Files 31-
35 of chemigram co-added and smoothed) 86
27 On-the-fly FT-IR spectrum of methyl octanoate (Files 41-
47 of chemigram co-added) 37
viii
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FIGURES (cont'd)
Number Page
28 On-the-fly FT-IR spectrum of methyl nonanoate (Files 52-
57 of chemigram co-added) 88
29 On-the-fly FT-IR spectrum of phenol (File 197 of chemi-
gram) 89
Cl Profile of volatile organics in aqueous sample from 150 Ton
oil-shale retort (LERC, ERDA) 286
C2 Profile of volatile organics in aqueous condensate (-1L)
from low btu gasification of Rosebud coal (MERC, ERDA) 292
C3 Profile of volatile organics in aqueous condensate (-2L)
from low btu gasification of coal (MERC, ERDA) .... 295
C4 Profile of volatile organics in aqueous sample (-1L) from
dewatering well #5 (LLL, ERDA) 308
C5 Profile of volatile organics in blended liquid sample (-2L)
from dewatering wells #1 and 6 (LLL, ERDA) 311
C6 Profile of volatile organics in process water (-3L) from
in situ coal gasification (LLL, ERDA) 314
C7 Profile of volatile organics in product tar (-4T) from in
situ coal gasification (LLL, ERDA) 317
C8 Profile of volatile organics in liquid process composite
(-6L) from in situ coal gasification (LLL, ERDA) . . . 322
C9 Profile of volatile organics in water sample (-8L) from
environmental well #4 (LLL, ERDA) 327
CIO Profile of volatile organics in water sample (-9L) from
environmental well #5 (LLL, ERDA) 330
Cll Profile of volatile organics in water sample (-11L) from
dewatering well #5 (LLL, ERDA) 335
C12 Profile of volatile organics in water sample (-14L) from
environmental monitoring well #2, post-gasification
(LLL, ERDA) 340
C13 Profile of volatile organics in water sample (-17L) from
dewatering well #5, post-gasification (LLL, ERDA). . . 346
C14 Profile of volatile organics in liquid sample (-19L) from
production well //I, post-gasification (LLL, ERDA). . . 351
IX
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FIGURES (cont'd)
Number Page
C15 Profile of volatile organics in product water sample (-14L)
in situ coal gasification (LERC, ERDA) 372
C16 Profile of volatile organics in product water sample (-16L)
during well 7-8 in situ coal gasification (LERC, ERDA) 378
C17 Profile of volatile organics in product water (-18L) during
well 7-8 in situ coal gasification (LERC, ERDA). . . . 384
CIS Profile of volatile organics in product water (-19L) from
in situ coal gasification (LERC, ERDA) 387
C19 Profile of volatile organics in ground water sample from
corehole #3 (-20L) after in situ coal gasification
(LERC, ERDA) 390
C20 Profile of volatile organics in post-gasification water
sample (-22L) from well #8, Hanna 1 (LERC, ERDA) . . . 392
C21 Profile of volatile organics in post-gasification water
sample (-23L) from well WQ-1 after in situ coal
gasification (LERC, ERDA) 395
C22 Profile of volatile organics in post-gasification water
sample (-25L) from well #4, Hanna 11 (LERC, ERDA). . . 399
Dl Profile of semi-volatile acid fraction from aqueous boiler
blow-down sample obtained during in situ oil-shale
processing 403
D2 Profile of semi-volatile basic fraction from aqueous boiler
blow-down sample obtained from in situ oil-shale
processing 404
D3 Profile of semi-volatile organics in neutral fraction of
Omega-9 retort water (after incubation) from in situ
oil-shale processing (LERC, ERDA) 409
D4 Profile of semi-volatile organics in acidic fraction of
Omega-9 retort water (after incubation) from in situ
oil-shale processing (LERC, ERDA) 410
D5 Profile of semi-volatile organics in basic fraction of
Omega-9 retort water (after incubation) from in situ
oil-shale processing (LERC, ERDA) 411
x
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FIGURES (cont'd)
Number Page
D6 Profile of semi-volatile organics in neutral fraction of
tar condensate (-7T) from low btu Rosebud coal
gasification (MERC, ERDA) 424
D7 Profile of semi-volatile organics in basic fraction of tar-
condensate (-7T) from low btu gasification of Rosebud
coal (MERC, ERDA) 425
D8 Profile of semi-volatile organics in neutral fraction of
process tar (-4L) from in situ coal gasification
(ILL, ERDA) 431
D9 Profile of semi-volatile organics in acid fraction of process
tar (-4L) from in situ coal gasification (ILL, ERDA) . 432
DID Profile of semi-volatile organics in neutral fraction of
water sample (-10L) from dewatering well #4 (LLL,
ERDA) 445
Dll Profile of semi-volatile organics in acid fraction of water
sample (-10L) from dewatering well #4 (LLL, ERDA). . . 445
D12 Profile of semi-volatile organics in basic fraction of
water sample (-10L) from dewatering well #4 (LLL,
ERDA) 447
D13 Profile of semi-volatile organics in neutral fraction from
post-gasification water sample (-21L) obtained from
well #1, Hanna 1 (LERC, ERDA) 489
D14 Profile of semi-volatiles in acid fraction of post-
gasification water sample (-21L) from in situ coal
gasification (LERC, ERDA) 490
D15 Profile of semi-volatile organics in basic fraction from
post-gasification water sample (-21L) obtained from
well #1, Hanna 1 (LERC, ERDA) 491
D16 Profile of semi-volatile organics in neutral fraction
from post-gasification water sample (-24L) obtained
from well #4, Hanna 1 (LERC, ERDA) 495
xi
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FIGURES (conf d)
Number Page
D17 Profile of semi-volatile organics in acid fraction from
post-gasification water sample (-24L) obtained from
well #1, Hanna 1 (LERC, ERDA) 496
Profile of semi-volatile organics in basic fraction from
post-gasification water sample (-24L) obtained from
well #1, Hanna 1 (LERC, ERDA) 497
xii
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TABLES
Number Page
1 Organic Compounds Identified in Effluents from Energy-
Related Processes 12
2 Elemental Compounds Identified in Effluents from
Energy-Related Processes 21
3 Description of Energy-Related Liquid and Solid
Effluents Received and Characterized for Elemental
and Organic Substances 32
4 Instrumental Operating Parameters for Flameless Atomic
Absorption Spectrophotometer 37
5 Operating Parameters for GLC-MS-COMP System 51
6 Percent Recovery of Selected Radiolabeled Compounds Using
Liquid/Liquid Extraction Method 61
7 Examples of Relative Molar Response (RMR) Factors for
Several Compounds Based Upon Total Ion Current
Monitor 62
8 Examples of Relative Molar Response Factors for Several
Compounds Based Upon Selected Fragment Ions 63
9 Semi-Volatile Organic Acids in Product Water (-8L) From
In Situ Coal Gasification (LERC, ERDA) 81
Bl Elemental Concentrations in Liquid Sample From 150 Ton
Oil-Shale Retort Processing Experiment (LERC) 237
B2 Elemental Concentrations in Discarded Cavern Oil-Shale
From In. Situ Oil-Shale Processing (OOS) 238
B3 Elemental Concentrations in Boiler Blow-Down Water From
In Situ Oil-Shale Processing (OOS) 239
B4 Elemental Concentrations in Liquid Condensate (-1L) From
Rosebud Coal During Low Btu Coal Gasification (MERC) . 240
B5 Elemental Concentrations in Liquid Condensate (-2L) From
Rosebud Coal During Low Btu Coal Gasification (MERC) . 241
xiii
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TABLES (cont'd)
Number Page
B6 Elemental Concentrations in Liquid Condensate (-3L) From
Rosebud Coal During Low Btu Coal Gasification (MERC). . 242
B7 Elemental Concentrations in Liquid Condensate (-4L) From
Rosebud Coal During Low Btu Coal Gasification (MERC). . 243
B8 Elemental Concentrations in Liquid Condensate (-5T) From
Rosebud Coal During Low Btu Coal Gasification (MERC). . 244
B9 Elemental Concentrations in Liquid Condensate (-6T) From
Rosebud Coal During Low Btu Coal Gasification (MERC). . 245
BIO Elemental Concentrations in Liquid Condensate (-7T) From
Rosebud Coal During Low Btu Coal Gasification (MERC). . 246
fill Elemental Concentrations in Liquid Sample (-1L) From De-
Watering Well #5 Prior to In Situ Coal Gasification
(LLL) 247
B12 Elemental Concentrations in a Blend Liquid Sample (-2L) From
Dewatering Wells #1 and 6 (LLL) 248
B13 Elemental Concentrations in Process Water Sample (-3L) From
In. Situ Coal Gasification (LLL) 249
B14 Elemental Concentrations in Process Tar (-4T) From In Situ
Coal Gasification (LLL) 250
B15 Elemental Concentrations in Well Water From Perm #5 (-5L) In
Situ Coal Gasification Experiment (LLL) 251
B16 Elemental Concentrations in Well Water - EW4 (-8L) From In
Situ Coal Gasification Experiment (LLL) 252
B17 Elemental Concentrations in Well Water - EW5 (-9L) From In
Situ Coal Gasification Experiment (LLL) 253
B18 Elemental Concentrations in Well Water - DW#4 (-10L) From
In Situ Coal Gasification Experiment (LLL) 254
B19 Elemental Concentrations in Well Water - DW#5 (-11L) From
In Situ Coal Gasification Experiment (LLL) 255
B20 Elemental Concentrations in Water Sample From EM-1 Well
(-12L) After In Situ Coal Gasification (LLL) 256
B21 Elemental Concentrations in Water Sample From EM-4 Well
(-13L) After In Situ Coal Gasification 257
xiv
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TABLES (conf d)
Number Page
B22 Elemental Concentrations in Water Sample From EM-2 Well
(-14L) After In Situ Coal Gasification 258
B23 Elemental Concentrations in Tar Sample (-15T) From
Production Well #1 After In Situ Coal Gasification
(ILL) 259
B24 Elemental Concentrations in Water Sample (-16L) From Well
DW-4 From In Situ Coal Gasification Experiment (LLL). . 260
B25 Elemental Concentrations in Water Sample (-17L) From Well
DW-5 From In Situ Coal Gasification Experiment (LLL). . 261
B26 Elemental Concentrations in Water Sample (-18L) From Well
DW-4 From In Situ Coal Gasification Experiment (LLL). . 262
B27 Elemental Concentrations in Water Sample (-19L) From Pro-
duction Well #1 After In Situ Coal Gasification (LLL) . 263
B28 Elemental Concentrations in Water Sample (-20L) From Pro-
duction Well #1 After In Situ Coal Gasification (LLL) . 264
B29 Elemental Concentrations in Seam Water From Well #6 (Hanna
#2) Prior to In Situ Coal Gasification (LERC) 265
B30 Elemental Concentrations in Seam Water From Well #5 (Hanna
#2) Prior to In Situ Coal Gasification (LERC) 266
B31 Elemental Concentrations in Product Water (-8L) From Well
5-6 Linkage During In Situ Coal Gasification (LERC) . . 267
B32 Elemental Concentrations in Product Water (-9L) From Well
5-6 Linkage During In Situ Coal Gasificiation (LERC). . 268
B33 Elemental Concentrations in Product Tar (-10S) From Well
5-6 Linkage During .In Situ Coal Gasification (LERC) . . 269
B34 Elemental Concentrations in Product Water (-11L) From Well
5-6 Linkage During In Situ Coal Gasification (LERC) . . 270
B35 Elemental Concentrations in Product Tar (-12S) From Well
5-6 Linkage During Iji Situ Coal Gasification (LERC) . . 271
B36 Elemental Concentrations in Product Water (-13L) From Well
5-6 Linkage During In Situ Coal Gasification (LERC) . . 272
B37 Elemental Concentrations in Product Water (-14L) From Well
7-8 In Situ Coal Gasification (LERC) 273
xv
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TABLES (cont'd)
Number Page
B38 Elemental Concentrations in Product Tar (-15S) From Well
7-8 I_n Situ Coal Gasification (LERC) 274
B39 Elemental Concentrations in Product Water (-16L) From Well
7-8 In Situ Coal Gasification (LERC) 275
B40 Elemental Concentrations in Product Tar (-17S) From Well
7-8 In Situ Coal Gasification (LERC) 276
B41 Elemental Concentrations in Product Water (-18L) From Well
7-8 In Situ Coal Gasification (LERC) 277
B42 Elemental Concentrations in Product Water (-19L) From Well
7-8 In Situ Coal Gasification (LERC) 278
B43 Elemental Concentrations in Ground Water Sample (Core Hole #3)
From In Situ Coal Gasification Experiment (LERC). . . . 279
B44 Elemental Concentrations in Post-Gasification Water Sample
(Well //I, Hanna #1) After In Situ Coal Gasification
Experiment (LERC) 280
B45 Elemental Concentrations in Post-Gasification Water Sample
(Well #8, Hanna #1) After In Situ Coal Gasification
Experiment (LERC) 2«1
B46 Elemental Concentrations in Post-Gasification Water Sample
(Well-WQ-1) From In Situ Coal Gasification Experiment
(LERC) 9ft 9
B47 Elemental Concentrations in Post-Gasification Water Sample
(Well #1, Hanna #2) From I_n Situ Coal Gasification
Experiment (LERC) 2«3
B48 Elemental Concentrations in Post-Gasification Water Sample
(Well #4, Hanna #2) From In Situ Coal Gasification
Experiment (LERC) 284
Cl Volatile Organics in Aqueous Sample From 150 Ton Oil-Shale
Retort Processing (LERC, ERDA) 287
C2 Volatile Organics in Aqueous Boiler Blow-Down Sample From
In Situ Oil-Shale Processing (OCC) 288
C3 Volatile Organics in Omega-9 Retort Water From In Situ Oil-
Shale Processing Prior to Incubation at 75°F (LERC,
ERDA) 289
xvi
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TABLES (cont'd)
Number Page
C4 Volatile Organics in Omega-9 Retort Water From In Situ
Oil-Shale Processing After Incubation at 75°F for
2 Months (LERC, ERDA) 291
C5 Volatile Organics in Aqueous Condensate (-1L) From Low Btu
Gasification of Rosebud Coal (MERC, ERDA) 293
C6 Volatile Organics in Aqueous Condensate (-2L) From Low Btu
Gasification of Rosebud Coal (MERC, ERDA) 296
C7 Volatile Organics in Tar (-3T) From Knock-Out Chamber During
Low Btu Gasification of Rosebud Coal (MERC, ERDA). . . 298
C8 Volatile Organics in Aqueous Condensate (-4L) From Low Btu
Gasification of Rosebud Coal (MERC, ERDA) 300
C9 Volatile Organics in Tar (-5T) From Knock-Out Chamber During
Low Btu Gasification of Rosebud Coal (MERC, ERDA). . . 302
CIO Volatile Organics in Aqueous Condensate (-6L) From Low Btu
Gasification of Rosebud Coal (MERC, ERDA) 304
Cll Volatile Organics in Tar (-7T) From Knock-Out Chamber During
Low Btu Gasification of Rosebud Coal (MERC, ERDA). . . 306
C12 Volatile Organics in Aqueous Sample (-1L) From Dewatering
Well #5 (LLL, ERDA) 309
C13 Volatile Organics in Blended Liquid Sample (-12L) From
Dewatering Wells #1 and 6 (LLL, ERDA) 312
C14 Volatile Organics in Process Water (-3L) From In Situ Coal
Gasification (LLL, ERDA) 315
CIS Volatile Organics in Product Tar (-4T) From In Situ Coal
Gasification (LLL, ERDA) 318
C16 Volatile Organics in Water (-5T) From Permeation Well #5
(LLL, ERDA) 321
C17 Volatile Organics in Liquid Process Composite (-6L) From
In Situ Coal Gasification (LLL, ERDA) 323
CIS Volatile Organics in Liquid Process Composite (-7L) From
I_n Situ Coal Gasification (LLL, ERDA) 325
C19 Volatile Organics in Water Sample (-8L) From Environmental
Well #4 (LLL, ERDA) 328
xvii
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TABLES (cont'd)
Number Page
C20 Volatile Organics in Water Sample (-9L) From Environmental
Well #5 (LLL, ERDA) 331
C21 Volatile Organics in Water (-10L) From Dewatering Well #5
(LLL, ERDA) 333
C22 Volatile Organics in Water (-11L) From Dewatering Well #5
(LLL, ERDA) 336
C23 Volatile Organics in Water (-12L) From Environmental Moni-
toring Well #1, Post-Gasification (LLL, ERDA) 333
C24 Volatile Organics in Water (-13L) From Environmental Moni-
toring Well #4, Post-Gasification (LLL, ERDA) 339
C25 Volatile Organics in Water (-14L) From Environmental Moni-
toring Well #2, Post-Gasification (LLL, ERDA) 3^
C26 Volatile Organics in Liquid Sample (-15T) From Production
Well #1, Post-Gasification (LLL, ERDA) 343
C27 Volatile Organics in Water (-16L) From Dewatering Well #4,
Post-Gasification (LLL, ERDA) 344
C28 Volatile Organics in Water (-17L) From Dewatering Well #5,
Post-Gasification (LLL, ERDA) 347
C29 Volatile Organics in Water (-18L) From Dewatering Well #4,
Post-Gasification (LLL, ERDA) 349
C30 Volatile Organics in Liquid Sample (-19L) From Production
Well #1, Post-Gasification (LLL, ERDA) 352
C31 Volatile Organics in Water (-20L) From Production Well //I,
Post-Gasification (LLL, ERDA) 353
C32 Volatile Organics in Product Tar (-1L) From In Situ Coal
Gasification, Hanna #2, Phase I (LERC, ERDA) 354
C33 Volatile Organics in Ground Water (-2L) From Well #5
Prior to In Situ Coal Gasification (LERC, ERDA). . . . 356
C34 Volatile Organics in Ground Water Sample (-4L) From Well #6
Prior to In Situ Coal Gasification (LERC, ERDA). . . . 357
C35 Volatile Organics in Ground Water (-5L) From Well #5 Prior
to In Situ Coal Gasification (LERC, ERDA) 358
xviii
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TABLES (cont'd)
Number Page
C36 Volatile Organics in Produced Water (-8L) During Well 5-6
In Situ Coal Gasification (LERC, ERDA) 360
C37 Volatile Organics in Produced Water (-9L) From Well 5-6 I_n
Situ Coal Gasification (LERC, ERDA) 362
C38 Volatile Organics in Product Tar (-10S) From In. Situ Coal
Gasification (LERC, ERDA) 364
C39 Volatile Organics in Product Water #3 (-11L) During Well 5-6
In Situ Coal Gasification (LERC) 355
C40 Volatile Organics in Produced Tar (-12T) From Well 5-6 In
Situ Coal Gasification 368
C41 Volatile Organics in Produced Water (-13L) From Well 5-6 In
Situ Coal Gasification (LERC, ERDA) 379
C42 Volatile Organics in Produced Water (-14L) From Well 7-8 In
Situ Coal Gasification (LERC, ERDA) 373
C43 Volatile Organics in Produced Tar (-15T) From Well 7-8 In
Situ Coal Gasification (LERC, ERDA) 375
C44 Volatile Organics in Produced Water (-16L) From Well 7-8
In Situ Coal Gasification (LERC, ERDA) 379
C45 Volatile Organics in Produced Tar (-17T) From Well 7-8 In
Situ Coal Gasification (LERC, ERDA) 381
C46 Volatile Organics in Produced Water (-18L) During Well 7-8
Iri Situ Coal Gasification (LERC, ERDA) 335
C47 Volatile Organics in Produced Water (-19L) From Well 7-8
In Situ Coal Gasification (LERC, ERDA) 388
C48 Volatile Organics in Ground Water (-20L) From Corehole #3
Post-I_n Situ Coal Gasification (LERC, ERDA) 39^
C49 Volatile Organics in Post-Gasification (-21L) from Well //I,
Hanna #1 (LERC, ERDA) 393
C50 Volatile Organics in Post-Gasification Water (-221) From
Well #8, Hanna 1 (LERC, ERDA) 394
C51 Volatile Organics in Post-Gasification Water (-23L) From
Well WQ-1 (LERC, ERDA) 396
C52 Volatile Organics in Post-Gasification Water (-24L) From
Well #1, Hanna #2 (LERC, ERDA) 397
xix
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TABLES (cont'd)
Page
Number —°—
C53 Volatile Organics in Post-Gasification Water (-25L) From
Well #4, Hanna II (LERC, ERDA) 400
Dl Semi-Volatile Organics in Liquid Sample From 150 Ton Retort
In Situ Oil-Shale Processing (LERC, ERDA) 402
D2 Semi-Volatile Organics in Aqueous Boiler Blow-Down Sample
From In Situ Oil-Shale Processing (OCC) 405
D3 Semi-Volatile Organics in Omega-9 Retort Water From In
Situ Oil-Shale Processing Prior to Storage at 75°F
(LERC, ERDA) 407
D4 Semi-Volatile Organics in Omega-9 Retort Water From In. Situ
Oil-Shale Processing After Storage at 75°F For
2 Months (LERC, ERDA) 412
D5 Semi-Volatile Organics in Aqueous Condensate (-1L) From
Low Btu Gasification of Rosebud Coal (MERC, ERDA) . . . 414
D6 Semi-Volatile Organics in Aqueous Condensate (-2L) From
Low Btu Gasification of Rosebud Coal (MERC, ERDA) . . . 416
D7. Semi-Volatile Organics in Tar (-3T) From Knock-Out Chamber
During Low Btu Gasification of Rosebud Coal (MERC,
ERDA) 418
D8 Semi-Volatile Organics in Aqueous Condensate (-4L) During
Low Btu Gasification of Rosebud Coal (MERC, ERDA) . . : 420
D9 Semi-Volatile Organics in Tar (-5T) From Knock-Out Chamber
During Low Btu Gasification of Rosebud Coal (MERC,
ERDA) 422
DIG Semi-Volatile Organics in Aqueous Condensate (-6L) From
Low Btu Gasification of Rosebud Coal (MERC, ERDA) . . . 423
Dll Semi-Volatile Organics in Tar (-7T) From Knock-Out Chamber
During Low Btu Gasification of Rosebud Coal (MERC,
ERDA) 426
D12 Semi-Volatile Organics in Water (-1L) From Dewatering Well
#5 Prior to In Situ Coal Gasificsation (LLL, ERDA). . . 428
D13 Semi-Volatile Organics in Liquid Blend From Dewatering
Wells #1 and 6 Prior to La Situ Coal Gasification
(LLL, ERDA) 429
xx
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TABLES (cont'd)
Number Page
D14 Semi-Volatile Organics in Process Water (-3L) During In
Situ Coal Gasification (ILL, ERDA) 430
D15 Semi-Volatile Organics in Process Tar (-4T) From In Situ
Coal Gasification (LLL, ERDA) 433
D16 Semi-Volatile Organics in Water (-5L) From Permeation
Well #5 (LLL, ERDA) 435
D17 Semi-Volatile Organics in Process Composite (-6L) From
In Situ Coal Gasification (LLL, ERDA) 436
D18 Semi-Volatile Organics in Process Composite (-7L) From
In. Situ Coal Gasification (LLL, ERDA) 440
D19 Semi-Volatile Organics in Water (-8L) From Environmental
Monitoring Well #4 During In Situ Coal Gasification
(LLL, ERDA) 443
D20 Semi-Volatile Organics in Water (-9L) From Environmental
Monitoring Well //5 During In Situ Coal Gasification
(LLL, ERDA) 444
D21 Semi-Volatile Organics in Water (-10L) From Dewatering
Well #4 (LLL, ERDA) 448
D22 Semi-Volatile Organics in Water (-11L) From Dewatering
Well #5 (LLL, ERDA) 450
D23 Semi-Volatile Organics in Water (-12L) From Environmental
Monitoring Well #1 After In Situ Coal Gasification
(LLL, ERDA) 451
D24 Semi-Volatile Organics in Water (-13L) From Environmental
Monitoring Well #4 After In Situ Coal Gasification
(LLL, ERDA) 452
D25 Semi-Volatile Organics in Water (-14L) From Environmental
Monitoring Well #2 After In Situ Coal Gasification
(LLL, ERDA) 453
D26 Semi-Volatile Organics in Liquid (-15T) From Production
Well #1 After In Situ Coal Gasification (LLL, ERDA). . 454
D27 Semi-Volatile Organics in Water (-16L) From Dewatering
Well #4 After In Situ Coal Gasification (LLL, ERDA). . 455
xxi
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TABLES (cont'd)
Number P?ge
D28 Semi-Volatile Organics in Water (-17L) From Dewatering
Well #5 After In Situ Coal Gasification (ILL, ERDA) . . . 456
D29 Semi-Volatile Organics in Water (-18L) From Dewatering
Well #4 After In Situ Coal Gasification (LLL, ERDA). . . 457
D30 Semi-Volatile Organics in Water (-19L) From Production
Well #1 After In Situ Coal Gasification (LLL, ERDA). . . 453
D31 Semi-Volatile Organics in Water (-20L) From Production
Well #1 After In Situ Coal Gasification (LLL, ERDA). . . 459
D32 Semi-Volatile Organics in Tar (-1L) From In Situ Coal
Gasification During Hanna #2, Phase I (LERC , ERDA) . . . 459
D33 Semi-Volatile Organics in Water (-2L) From Well #5,
Hanna #2 (LERC, ERDA) .................. 453
D34 Semi-Volatile Organics in Water (-3L) From Well #6, Hanna #2
(LERC, ERDA) ...................... 464
D35 Semi-Volatile Organics in Water (-4L) From Well //6 , Hanna #2
(LERC, ERDA) ...................... 465
D36 Semi-Volatile Organics in Water (-5L) From Well #5, Hanna #2
(LERC, ERDA) ...................... 466
D37 Semi-Volatile Organics in Product Water Sample #1 (-8L) From
Well 5-6 I_n Situ Coal Gasification (LERC) ........
D38 Semi-Volatile Organics in Produced Water (-9L) From Well 5-6
In. Situ Coal Gasification (LERC, ERDA) .........
D39 Semi-Volatile Organics in Tar (-10T) From Well 5-6 In Situ
Coal Gasification (LERC, ERDA) .............
D40 Semi-Volatile Organics in Produced Water (-11L) From Well
5-6 In Situ Coal Gasification (LERC, ERDA) ....... 472
D41 Semi-Volatile Organics in Produced Tar (-12T) From Well 5-6
In Situ Coal Gasification (LERC, ERDA) ......... 473
D42 Semi-Volatile Organics in Produced Water (-13L) From Well
5-6 In Situ Coal Gasification (LERC, ERDA) ....... 476
D43 Semi-Volatile Organics in Produced Water (-14L) From Well
7-8 In Situ Coal Gasification (LERC, ERDA) ....... 477
xxii
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TABLES (cont'd)
Number Page
D44 Semi-Volatile Organics in Produced Tar (-15T) From Well 7-8
In Situ Coal Gasification (LERC, ERDA) 478
D45 Semi-Volatile Organics in Produced Water (-16L) From Well
7-8 In Situ Coal Gasification (LERC, ERDA) 481
D46 Semi-Volatile Organics in Produced Tar (-17T) From Well
7-8 In Situ Coal Gasification (LERC, ERDA) 483
D47 Semi-Volatile Organics in Produced Water (-18L) From
Well 7-8 In Situ Coal Gasification (LERC, ERDA) .... 486
D48 Semi-Volatile Organics in Produced Water (-19L) From
Well 7-8 In Situ Coal Gasification (LERC, ERDA) .... 487
D49 Semi-Volatile Organics in Water (-20L) From Corehole #3,
Post-Gasification (LERC, ERDA) 488
D50 Semi-Volatile Organics in Post-Gasification Water (-21L)
From Well #1, Hanna #1 (LERC, ERDA) 492
D51 Semi-Volatile Organics in Post-Gasification Water (-22L)
From Well #8, Hanna //I (LERC, ERDA) 493
D52 Semi-Volatile Organics in Water (-23L) From WQ-1 Post-In
Situ Coal Gasification (LERC, ERDA) 494
D53 Semi-Volatile Organics in Post-Gasification Water (-24L)
From Well //I, Hanna #2 (LERC, ERDA) 493
D54 Semi-Volatile Organics in Post-Gasification Water (-25L)
From Well #4, Hanna #2 (LERC, ERDA) 499
xxiii
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ACKNOWLEDGEMENTS
The valuable assistance of Ms. S. Willis, D. Smith and N. Pardow (RTI) for
executing the sample preparation, analysis and data interpretation is gratefully
appreciated. Drs. J. T. Bursey, R. A. Jeffcoat, C. M. Sparacino, D. Rosenthal
and R. Handy (RTI) provided the expertise for the interpretation of mass spectra
and mercury analysis. The helpful suggestions of Dr. M. E. Wall throughout the
program are appreciated.
The author wishes also to extend his deep appreciation to Drs. Charles
Brandenburg, Bruce King and Dennis Fisher of the Laramie Energy Research Center
for valuable discussions and assistance in acquiring the samples from the in
situ coal gasification process in Hanna, WY. Drs. Richard Poulson and David
Farrier of the Laramie Energy Research Center provided samples from the oil-
shale processing experiments. A special thanks for their cooperation. The
valuable help during the acquisition of samples from in situ coal gasification
in Gillette, WY by Drs. Douglas Stevens, Jack Campbell and Warren Mead of the
Lawrence Livermore Laboratory is gratefully appreciated. Samples provided by
the Morgantown Energy Research Center were obtained through the courtesies of C.
Shale and A. Moore. I would like to also thank Mr. Terry Thoem of EPA, Region
IV, Denver, CO for his assistance and coordination in obtaining a boiler blow-
down condensate from the Occidental Oil Company (in situ oil-shale processing).
The excellent cooperation by CT&E personnel for providing expedient multi-
element analysis throughout the program is appreciated.
The constant encouragement and constructive criticisms of Ms. A. Alford of
EPA, Athens, GA are deeply appreciated. All the personnel at EPA who assisted
the Project Director by providing information for the state-of-the-art review
are acknowledged.
xxiv
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SECTION 1
INTRODUCTION
Our national energy goal is to achieve energy independence for the free
world with efficient environmentally safe, clean and acceptable commer-
cialized energy technologies. For the past several years, there has been an
increasing concern about the rate of energy consumption within the United
States and with the extent to which domestic energy resources can meet these
needs. Although estimates vary, it is generally agreed that domestic
natural gas supplies and domestic petroleum supplies are sufficient to last
for only 15-25 years at the present rates of usage. In contrast, domestic
coal reserves are estimated to last for several hundred years and also large
resources are available from oil-shale and tar sands. It is evident that
the nation's major resource is fossil fuel and that it will be immensely
valuable for supplying our nation's energy needs in the future.
It is optimistically anticipated that the production of synthetic fuels
will make a significant contribution to energy supplies in the coming
years. Recent Energy Research and Development Administration (ERDA) predic-
tions indicate that between 250-500,000 barrels/day of equivalent energy
will be produced from coal by 1985. This is equivalent to ~34,000 megawatts
of electricity generating capacity.
The Energy Research and Development Administration is charged with the
mission for developing the potentially promising coal gasification, lique-
faction, oil-shale retorting, etc. systems both within its research centers
and national laboratories and in cooperation with industry. One of the
large and basic aspects of the assessment of energy conversion is determining
what comes out of the process streams in order to identify useful by-pro-
ducts for chemical production so that it can be properly harnessed and to
identify toxic or undesirable substances for their control through adequate
technological measures.
-------
The expected emphasis on and drive toward national energy self-suffi-
ciency implies a very real possibility for large scale environmental
degradation. There is great concern on the one hand that unabated growth
in energy production and utilization will cause irreparable harm to the
environment and on the otherhand that measures to protect the environment
may further exacerbate the current supply problems faced by the energy
industry. It is generally recognized that the nation must use coal and
oil-shale over the next few decades at a rate of activity which will double
or triple our current levels. ^ The research requirements and technology
for avoiding serious environmental abuse are vast and range from needed
improvements in coal mining and oil-shale processing methods to the problem
of disposing of water waste products. Effluents and waste from fuel extrac-
tion processing and their use can dangerously affect water quality. This
program as well as others, addressed the problem of water contamination
from energy-related activities with the major emphasis on the identifica-
tion of organics and inorganics released to ground water. The data generated
from this research program will provide information for future programs
about the formation, transportation and degradation mechanisms of chemical
elements and organic components of aqueous effluents. Such information
developed from this program will provide data to researchers who are concer-
ned with control technology and monitoring techniques in the health and
ecological aspects of such energy-related pollution.
Based on the present state of knowledge, one can only make predictions
of the probable water pollution problems that will arise in coal and oil-
shale conversion processing. The predictions generally could be based upon
(a) details of individual conversion processes, including ancillary opera-
tions, (b) a knowledge of the organic and inorganic constituents of coal
and oil-shale and (c) the geochemistry of the different major coal producing
and oil-shale areas of the country/ * The principal types of minerals in
coals are clays, quartz, carbonates and pyrites and sometimes feldspars.
Trace and minor elements may be associated with any of these or with the
organic matter. The resulting pollution of water may be reflected by
the trace and minor elements and organic matter present in the original
sample. The state of these elements in the conversion processing will
-------
depend upon the nature of the association of each element as well as on its
chemical properties.
Oil-shales are widely distributed throughout the United States, but
(2)
the largest and richest deposit is in the Green River Formation. Thus
most efforts to utilize oil-shale have involved material from this formation.
The formation covers an area of about 17,000 sq. miles in four principal
basins: the Piceance Basin in Colorado, the Unica Basin of Utah and the
Washakie and Green River Basins of Wyoming. The Green River formation
comprises one of the largest deposits of hydrocarbons in the world and is
potentially a source of significant quantities of liquid fuels. Many
attempts have been made to mine and retort Green River oil-shale. So far
all attempts have been on a pilot plant scale and commercial units are on
the drawing board. Five of the more extensive investigations that have
been conducted or are being conducted are those by (1) Bureau of Mines, (2)
Consolidated group of six oil companies, (3) the Parahoe Development Corpora-
tion, (4) Union Oil Company of California and (5) the Colony Development
Operation. In addition to the mining and above ground processing, there
has been some effort to do in situ retorting.
The three major components of oil-shale production are mining, crushing,
and retorting. The facility being planned for the Parachute Creek
region by the Colony Development Operation may become a model for oil-shale
processing. The Colony Development Operation is a joint venture consis-
ting of four companies, the Oil-Shale Corporation, Shell Oil Company,
Ashland Oil Incorporated and Atlantic Richfield Company. Retorting in this
development will be accomplished by using the TOSCO II process, a development
which began in 1956. In 1965, a 1,000 ton/day semi-works retort was construc-
ted as a full pilot mine on colony property in Middle Park Canyon of Para-
chute Creek, CO. In the TOSCO II process, crushed raw shale is preheated
by dilute phase fluid bed techniques. The production of oil-shale by
this retorting process will generate large volumes of waste materials
consisting chiefly of spent shale or processed shale. This is a fine black
powder-like material in which the dark color is attributed to a small
amount of residual carbon which coats the dust particles. The proposed
plan will use about 3.3 barrels of water per gallon of major product
-------
v (1)
produced (fuel oil and a special quality liquified petroleum gas;.
Total water used will be -175,000 barrels of water per day at a rate of 11
cu ft/sec.
Enviromental effects directly associated with oil-shale processing are
expected to result from retort or burnt shale where water has been produced
or used in the processors.^ Retorting oil-shale produces water both from
heating the shale and from burning the fuel when the process uses internal
combustion. This water will generally be in the range of 3-10 gallons/ton
of retorted shale. Because the water has been in contact with the shale
oil, it potentially may contain substantial amounts of organic materials.
Some studies of this water and suggestions for its treatment have been
A (1,3)
made.
Underground coal gasification (UCG) has been the subject of investiga-
tions for more than 100 years. ^ The process has been shown to be techni-
cally feasible in several experiments, but previously has been economically
unattractive in competition with petroleum resources. The recent development
of sources of inexpensive petroleum fuels has resulted in rekindled interest
in research on in situ gasification of coals in the United States using
modern methods which were not available earlier to other investigators.
Russian activities in underground gasification of coal have been the
(4)
most sustained. Electricity has been generated from low btu gas in
several large scale plants in the Soviet Union from sub-bituminous coals
and lignites. Recently, diminished Soviet utilization of UCG for energy
production is believed due to the discovery of adequate local petroleum
field sources. In England, UCG was studied extensively in field experiments.
Production processes that were technically feasible and nearing commercial
utilixation were abandoned in 1959 because they were not sufficiently
economical at that time. Similar investigations were conducted in the
United States by the Bureau of Mines from 1946-1959 and by Gulf Research
in 1968. These studies were also discontinued for lack of immediate
need and economic factors.
The Bureau of Mines initiated a reassessment of UCG in 1971. ^ This
study revealed that a renewed US field effort was appropriate in view of
recent advances in drilling technology and instrumentation. A field site
near Hanna, WY, was selected and the Hanna 1 experiment was conducted from
-------
March 1973 to March 1974. ~ ' This experiment using the linked vertical
well technique demonstrated that western sub-bituminous coals were suited
to underground gasification and that the production of 125 btu/cubic foot
gas for extended periods of time were possible. The Hanna 1 experiment
indicated that in situ instrumentation was necessary to physically and
chemically characterize the in situ reaction system and provide sufficient
information to allow process control.
A second field experiment, Hanna 2, was thus designed to answer the
many questions arising during the Hanna 1 experiment and to include an
expanded instrumentation effort. Hanna 2 was conducted in three phases:
Phase I - a preliminary experiment to determine directional in situ
permeability to examine the combustion linking of wells, to
conduct a limited gasification test and to evaluate instru-
mentation techniques;
Phase II - a two-well burn to gasify coal between an injection and
production well for preparation for the subsequent phase;
and
Phase III - a four-well burn to gasify a square area by adding two
injection wells to the pattern prepared by Phase II.
Another UCG program which utilized a unique approach to in situ coal
gasification was originated at the Lawrence Livermore Laboratory in
1972. This approach used an array of chemical explosives which was
detonated to enhance the permeability of a reaction zone within a thick bed
of coal. The principal objective was to develop a commercial process for
gasifying deep thick western coals to produce pipeline quality gas.
Many of the processes described above which appeared to be promising
avenues for the recovery of energy from fossil fuels became incorporated
into the current characterization program described in the following sections,
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SECTION 2
CONCLUSIONS
A state-of-the-art review was conducted and the information evaluated
according to the following criteria: (a) thoroughness of the study, (b)
accuracy of sampling techniques used, (c) capability of the instrumental
techniques employed; (d) appropiateness of sample purification methods used
and (e) completeness of overall quality control measures. Using these
criteria, the state-of-the-art review assessment was prepared on organic
and elemental components which have been identified in liquid and solid
effluents from energy-related processes. The elemental composition samples
from these processes was more thoroughly studied by investigators than the
organic substances. A paucity of data existed on the organic composition
of liquid and solid effluents from oil-shale retorting, in situ oil-shale
processing, in situ coal and lignite gasification, coal-fired power plant
operation and low btu gasification of coal and lignite. Only meager data
were available for the organic composition of liquid and solid wastes from
coal processing, oil refinery operation and geothermal activity. Also,
very little information was available on the elemental components associated
with oil refinery activity. The research conducted to date on the analysis
of organics and solid effluents was highly inadequate for the purpose of
understanding the efficiency of the energy-related processes and the potential
environmental impact. Many of the previous reports conjectured only as to
the probable pollutants that would be associated with the energy-related
activity. It was concluded that very few significant studies have been
conducted on the characterization of the individual organic components in
energy-related samples.
The analysis of the energy-related samples for organic components
under this program revealed their extreme complexity. The number of compo-
nents in many of the liquid process samples exceeded 200, which were subse-
quently identified and quantified utilizing the techniques of inert gas
-------
purging and liquid-liquid extraction followed by high resolution glass
capillary gas chromatography/mass spectrometry/computer analysis. It was
concluded that the analysis of samples from energy-related activities
requires very high resolution glass capillary columns, computerized gc/ms/
comp and, in addition, the use of ancillary techniques such as gc/ftir/comp
to further document and confirm the identity of the organic components in
these samples. Sample characterization revealed the presence of many
chemical classes including sulfur-containing compounds (thiophenes, mercap-
tans, sulfides, benzothiazoles, benzothiophenes, etc.), nitrogen-containing
compounds (nitriles, pyridines, anilines, quinolines, etc.); oxygen-con-
taining compounds (aldehydes, ketones, acids, phenols, furans, benzofurans,
etc.); alkanes, alkenes, aromatics and alkyl aromatics and polynuclear
aromatics. The concentrations of the organic constituents in liquid effluents
ranged from <1 ppb (^-0.01) to several parts-per-thousand in samples taken
before and after in situ processes.
The methods employed in this study provided for the analysis of volatile
and semi-volatile compounds down to levels of 1 Mg/£ (1 ppb) and in some
cases even lower. Radiolabeled tracer recovery studies indicated quan-
titative recoveries for volatile compounds with solubilities <2% in water
and a boiling point <220°. The procedure was also quantitative for semi-
polar compounds with solubilities <10% and boiling points <150°. For
highly water soluble compounds (£•£•, acetonitrile, formaldehyde, etc.) the
purging method was not quantitative. The liquid-liquid extraction and gas
chromatographic procedure for semi-volatile compounds gave quantitative
recoveries for organic acids, neutral compounds and bases for compounds
with boiling points >60° and <270°. Compounds containing zwitterions were
not recovered and were not analyzed by these procedures. Compounds with
boiling points >275° were not amenable to gas chromatography.
Spark source mass spectrometry and flameless atomic absorption spectro-
photometry analysis of liquid influent and effluents from energy-related
processes indicated the release of elemental substances with a composition
similar to the original fossil fuel matrix.
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SECTION 3
RECOMMENDATIONS
Three major phases of research should be expanded and pursued on the
characterization of organic and elemental components in effluents from
energy-related processes. One major phase should include a continuation of
the state-of-the-art summary for the current and past research which has
been performed in this area. Specifically, a concerted effort should be
devoted to the examination of the open literature for reports on the charac-
terization of organic compounds in energy-related samples. The second
major phase should be expanded and intensified studies to characterize the
organic content of volatile and semi-volatile compounds in liquid and solid
effluents from coal-fired power plants, geothermal processes, lignite
gasification processes and oil refineries. It is also recommended that a
research program be initiated on the determination of non-volatile organic
compounds in liquid and solid effluents as well as the determination of
volatile, semi-volatile and non-volatile organic compounds occurring as air
emissions.
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SECTION 4
PROGRAM OBJECTIVES
The general objectives of this research program were to prepare a
state-of-the-art summary of previous research that has addressed the charac-
terization of organic and elemental constituents in effluents from energy-
related processes, to select processes needing further study, and to deter-
mine the organic and elemental components in effluents from these energy-
related processes. The specific aim of the state-of-the-art report was to
identify gaps in existing and probable future data on chemical elements and
volatile organic compounds in solid waste and aqueous effluents from coal
mines, oil refineries, oil-shale processors, coal-fired power plants and
coal liquefaction and gasification plants. Based upon this information,
the research under this program was to supplement current and completed
projects while avoiding duplication of past efforts.
Samples were to be analyzed for elemental components (in duplicate)
with a technique capable of detecting and measuring all elements through
uranium in the periodic table of elements excepting oxygen, helium, hydrogen,
neon, argon, krypton, xenon, radon, nitrogen and carbon. The specific aim
was to use a technique that had a minimum detection limit of 2 (Jg/g for
solid waste or 2 |Jg/£ for aqueous effluents and quantitative precision
within a factor of 2. The preferred method was spark-source mass spectrome-
try for all elements except mercury and flameless atomic absorption spectro-
photometry for mercury analysis.
Under this program, samples were to be analyzed by gas chromatography
in combination with mass spectrometry to identify and measure volatile and
semi-volatile organic components present in concentrations of 1 (Jg/£ or
greater. One of the major requirements of this project was to use a single
analytical protocol to permit comparison among samples and to implement a
sound quality control and assurance program.
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SECTION 5
STATE-OF-THE-ART REVIEW ON CHARACTERIZATION OF ORGANIC AND
ELEMENTAL SUBSTANCES IN ENERGY-RELATED EFFLUENTS
INTRODUCTION
A state-of-the-art summary was prepared to determine which energy-
related solid waste and aqueous effluents had been analyzed to identify and
quantify specific pollutants and to determine which current contracts and
projects would provide further information in this area. The prime objective
of this review was to identify gaps in the existing and probable future
data on chemical elements and volatile organic compounds in solid waste and
aqueous effluents from coal mines, oil refineries, oil-shale processors,
coal-fired power plants and coal liquefaction and gasification plants. The
information derived from the state-of-the-art review was to serve as a
guideline to plan the current program and to supplement current and completed
projects occurring in other laboratories.
TECHNICAL APPROACH
Searching and Retrieval Methods
The current literature, contract and technical progress reports were
reviewed to obtain and prepare a state-of-the-art summary. The open litera-
ture was examined through Chemical Abstracts. Technical reports summarizing
the science and technology in this area were obtained by consulting and
computer searching of the National Technical Information Service and the
Energy Research Information System (Old West Regional Commission and U.S.D.A.
Forest Service Surface Environment and Mining, Billings, MN). To obtain
information regarding currently funded programs, the Smithsonian Information
Exchange was consulted. Other computer retrieval systems such as Medline
and Toxline were also used. Finally, personnel were directly contacted at
the Environmental Protection Agency, the Energy Research and Development
Administration and many non-profit and industrial research organizations.
10
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Evaluation Criteria
The data available in the state-of-the-art review were evaluated
according to the following criteria: (a) thoroughness of the study, _i.e.,
the ability to examine and measure the majority, if not all of the components
present in waste effluents; (b) sampling techniques; (c) capability of the
instrumental techniques employed; (d) sample purification procedures and
(e) overall quality control measures.
STATE-OF-THE-ART ASSESSMENT
Appendix A presents abstracts of current projects and reports that
were obtained during the information retrieval phase of this program (through
December 31, 1976). Tables 1 and 2 summarize the majority of organic and
elemental components identified in liquid and solid effluents from energy-
related processes. From the number of organic compounds have been identified
in oil-shale processing, it was apparent that very little research had been
conducted. Two on-going research programs may alleviate this deficiency
were those which were under way at the Denver Research Institute in Denver,
CO, and a dual venture between Colorado State University and Montana State
University. In both programs, the chemical emphasis appears to be on the
identification of elemental constituents and polycyclic hydrocarbons in
spent shale and aqueous leachates from the above ground retorting operations.
A thorough study had not been reported on the composition of product water
from in situ oil-shale processing.
In contrast, the detection and quantification of elements has been
more extensively conducted. An intensive effort to determine elemental
components and inorganic compounds in aqueous leachates from spent shale
has been conducted. A paucity of information, however, existed on the
composition of product water from in situ oil-shale gasification.
The identification of organic compounds (Table 1) in tars and chars
and in coal preparation, quenching and cooling water in sour aqueous conden-
sates from various coal gasification and liquefaction processes was the
most thoroughly examined of the energy-related activities. The gasification
liquefaction methods, most studied were the Synthane, Lurgi, K-T, CO
acceptor, Hydrane and Solvent Refined Coal (SRC) processes. As indicated
by the research reports in Appendix A, extensive research has been conducted
on developing and applying analytical techniques for the analysis of organics
11
-------
Table 1. ORGANIC COMPOUNDS IDENTIFIED IN EFFLUENTS
FROM ENERGY-RELATED PROCESSES
Source of Liquid and Solid Effluents
Compound of Chemical Class
Acenaphthalene
Acenaphthene
Acenaphthenols
Acetophenone
Acetaldehyde
Acetic acid
Aldehydes
Alkyl and aromatic hydrocarbons
Alkyl and aromatic amines
Alkyl and aromatic alcohols
Aniline
Anthraquinone/Disulfonic acid
Anthracene
Benzaldehyde
Benzoic acid
Benzene
Benzof uranol
S
S
L,S
L
L
L,S
L
L
L
L
L
L
S
L,S
L
L
L
L
L,S
L,S
L
L
L
L
(continued)
-------
Table 1 (cont'd)
Source of Liquid and Solid Effluents'
Compound of Chemical Class
Benzo (a) anthracene
Benzo (a) anthracene, 7, 12-dimethyl
Benzonaphthiothiophenes
Benzonitrile
Benzo (a)pyrene
Benzo (e)pyrene
Benzo (g) chrysene
Benzo (g,h, i)perylene
Benzo (c) chrysene
Biphenyl
1-Butanol
2-Butoxyethanol
Carbon disulfide
Carbonyl sulfide
Carbazoles
m-Cresol
o-Cresol
X
S
X
s
L
L
L
L
L
S
S
S
s
s
s
s
L
L
L
L
L
L
L
L
L
(continued)
-------
Table 1 (cont'd)
Source of Liquid and Solid Effluents
Compound of Chemical Class
p-Cresol
Crysene
Cresylic acid
1-Decanol
Diacetone alcohol
Dibenzof uran
Dibenzothiophenes
Dibenz (a , h) anthracene
Dibenz(a, j )acridine
Dibenzo(cd, lm)perylene
Dimethyl furan isomer
2, 6-Dimethylnaphthalene
3, 3-Diphenylpropanol
Dimethylphenol
Dodeane
Eicosane
/?/*//*////'//&/
L
S
S
L
(continu
ed)
L
S
S
S
S
L
L
L
L
L
L
L
L
L
L
L
-------
Table 1 (cont'd)
Source of Liquid and Solid Effluents
Compound of Chemical Class
Ethylene glycol
Ethyl naphthalene
c>-Ethyltoluene
Fluorene
Formaldehyde
Fluor an threne
Furans
Formic acid
Heneicosane
Heptadecane
Hexadecane
1-Hexanol
Indane
Indanols
4-Indanol
Indene
X
L
S
S
S
S
S
L
(contint
ed)
S
L
S
L
L
L
L
L
L
L
L
L
L
-------
Table 1 .(cont'd)
Source of Liquid and Solid Effluents'
Compound of Chemical Class
Indole
Maleic anhydride
Maleic acid
m-Methoxyindole
ot-Methylbenzyl alcohol
Methyl biphenyl isomer
Methyl ethyl naphthalene isomer
1-Methyl indene
3-Methyl indene
1-Methylnaphthalene
2-Methylnaphthalene
Methyl indole
Methyl mercaptan
Methyl anilines
o-Methylstyrene
3-Methylstyrene
-
S
S
L
L,S
(continued)
L
L
L
L
L
L
L
L
L
L
L,S
L
L
-------
Table 1 (cont'd)
Source of Liquid and Solid Effluents'
Compound of Chemical Class
Naphthalene
Naphthols
1-Naphthol
2-Naphthol
Naphthol, methyl
Nonadecane
1-Octanol
Octadecane
Oleic acid
Phenanthrene
Phenanthrols
Phenol
o-Ethylphenol
£-Ethylphenol
o-Isopropylphenol
2-Methyl-4-ethylphenol
/#/'//'//#/'//'/,
L,S
S
L
S
L
L
S
L,S
L
L
L
L
L
L
(com
zinued)
L,S
L
L
L
L
L
L
-------
Table 1 (cont'd)
Source of Liquid and Solid Effluents'
oo
Compound of Chemical Class
3-Methyl-6-ethylphenol
4-Methyl-2-ethylphenol
2,3,5-Trimethylphenol
1-Phenylnaphthalene
Pyridine
Pyridine , ethyl
Pyridine, methyl
Pyrroles
Pyrene
Pyrocatechol
Pyrocatechol, methyl
Palmitic acid
Pentadecane
Quinolines
Styrene
Thiophene
X
L
L
L
S
L,S
L
L
L,S
L
L,S
L
(cont
inued)
L
S
L
L
L
L
L
L
L
L
-------
Table 1 (cont'd)
Source of Liquid and Solid Effluents
Compound of Chemical Class
Thiophene, dimethyl
Thiophene, methyl
Toluene
Thiosulfide
a-Terpineol
Tetradecane
n-Tridecane
Undecane
Xylene (o,m,;p_)
2,3-Xylenol
2,4-Xylenol
2,5-Xylenol
2,6-Xylenol
3,4-Xylenol
3,5-Xylenol
y-valerolac tones
/f//7/'//4?/7/y
L
L,S
L,S
L,S
L
L
L
L
L
L
L
L
L
(con
tinued)
L
L
L
L
L
L
L
L
L
-------
Table I -(cont'd)
Source of Liquid and Solid Effluents'
Compound of Chemical Class
i-o
o
Sulfides
Sulfites
Sulf onates
Sulf ones
L,S
L,S
L,S
L,S
L = liquid, S = solid effluents
-------
Table 2. ELEMENTAL COMPOUNDS IDENTIFIED IN EFFLUENTS
FROM ENERGY-RELATED PROCESSES
Source of Liquid and Solid Effluents
r-o
Elemental or Inorganics
Au
Ag
Al
A12°3
Ammonia
Ammonium cyanate
As
Arsenic acid, Na salt
Ar2°2
Arsine
Ba
BaCl2
Be
Bi
B
L,S
X
S
L,S
S
L
S
L
L,S
L
L
L
L
L,S
L,S
L
L
L
L
L
L
(cont
L,S
L,S
L,S
L,S
L,S
L,S
L,S
L,S
L,S
inued)
S
S
S
S
L,S
L,S
S
S
S
L
-------
Table 2 -(cont'.d)
Source of Liquid and Solid Effluents'
ho
ho
Elemental or Inorganics
BO
Br2
Ca
CaCl2
CaO
CaSO.
4
CaS
Cd
CdCl2
CdN03
Ce
Cs
cs2
COS
ci2
s
L,S
S
S
L
L
L
S
L,S
L,S
L
L
-
S
L,S
L,S
L
L
L
L
L,S
L,S
L,S
L,S
L,S
(continued)
S
S
L,S
S
S
S
-------
Table 2 (cont'd)
Source of Liquid and Solid Effluents
K3
U3
Elemental or Inorganics
Cr
Co
Cobalt Molybdate
Cu
Cyanides
Dysorium
Erbuim
Europuin
Fe
FeCl3
F
Ge
Gadolinium
Ga
Hafnium
Holmiun
L,S
S
L,S
S
S
L,S
L
S
S
L,S
L
L
L
L
S
L
L
S
S
L
L
(cont
L,S
L,S
L,S
L,S
L,S
L,S
L,S
L,S
L,S
L,S
L,S
L,S
L,S
inued)
S
S
S
S
S
S
S
S
S
S
S
S
L,S
-------
Table 2 .(cont'd)
Source of Liquid and Solid Effluents
Elemental or Inorganics
HC1
HCN
HF
H2S
Hg
K
La
Li
Mg
MgCl2
MgO
Mn
Mo
Na
Nb
Ni
S
L,S
S
S
S
X
L,S
S
L
L
L,S
L
L
L,S
L
L
L
L
L,S
S
L
L
L
L,S
L,S
L,S
L,S
L,S
L,S
L,S
L,S
^continued)
L,S
S
S
S
S
S
s
s
s
s
s
s
L,S
-------
Table 2 (cont'd)
Source of Liquid and Solid Effluents
Ul
Elemental or Inorganics
NiCO
P
Pb
Rb
Sa
Sb
Sc
Se
Sn
Sr
Te
Th
Ti
Tl
U
V
s
L,S
S
S
s
s
s
s
s
s
s
s
L
L
L,S
L,S
L,S
L
L
L
L,S
L
L
L
L
(con
L,S
L,S
L,S
L,S
L,S
tinued)
L
L,S
S
S
S
L,S
S
S
s
s
s
s
L
L,S
-------
Table 2 (cont'd)
Source of Liquid and Solid Effluents
Elemental or Inorganics
V2°5
Y
Zn
ZnO
Zr
L,S
L
L,S
S
L,S
L
L,S
S
S
S
S
L,S
L = liquid, S = solid effluents
-------
(principally gas chromatography/mass spectrometry) in liquid and solid
materials from these processes.
Likewise, a major effort had been devoted to the detection and measure-
ment of elemental components in liquids and solids from coal gasification
and liquefaction. The predominant characterization effort had addressed
the Synthane and high-btu methods. Less information was available from the
low btu coal and lignite gasification techniques. In contrast, the charac-
terization and quantification of organic and elemental constituents in the
product water from in situ coal gasification had not been conducted.
Thorough analysis for organic compounds in fly ash, bottom ash and
quenching and cooling water from coal-fired power plants had not been
conducted (Table 1). However, work had been performed on elemental components
in liquids and solids (Table 2). The Radian Corporation had executed a
material balance study for three coal-fired power plants. This study
appears to be one of the best efforts on elemental analysis utilizing
modern analytical techniques.
Waste materials associated with coal processing, e.g., mine dust, coal
leachates or mine spoilage from natural water runoff has also been examined.
Reports on qualitative analysis of organic constituents by gas chromatography/
mass spectrometry and elemental components by spark source mass spectrometry
are included in Appendix A.
Cooling water, quench water, sour aqueous discharge spent acid sludge
and spent catalyst from oil refinery processes have been studied and many
organics (Table 1) have been reported. Additional research appears to be
necessary, however, for those processes utilizing high sulfur content oils
and coals, particularly with respect to elemental analysis.
In summary, a paucity of data existed on the organic composition of
liquid and solid effluents from oil-shale retorting, in situ oil-shale
processing in situ coal and lignite gasification, coal-fired power
plants, and low btu gasification of coal and lignite. Meager data were
available for the organic composition of liquids and solids from coal
processing, oil refinery operation and geothermal activity. Also, very
little information was available on elemental components associated with
oil refinery activity. In general it was concluded that the research
conducted to date on the analysis for organics in liquid and solid effluents
27
-------
was highly inadequate for the purpose of understanding the efficiency of
the energy-related processes and the potential environmental impact. Much
of the data were based on "paper" studies that merely conjectured as to the
probable pollutants that would be associated with the energy-related activity
When evaluating the available data on the elemental and organic composition
of effluents from energy-related processes according to the criteria pre-
viously described—particularly the thoroughness of the study and its
ability to provide specific individual chemical information for all the
species present in the effluents--we found few significant energy-related
studies.
Appendix A, Section I contains abstracts of technical reports and
current projects on oil-shale processing, Section II-coal gasification and
liquefaction, Section Ill-coal-fired power plants, Section IV-coal related
pollution, Section V-oil refineries and Section Vl-tar sands.
28
-------
SECTION 6
SAMPLES AND SAMPLING PROCEDURE
INTRODUCTION
In view of the paucity of data on the individual species of organic
and elemental constituents in liquid and solid effluents from in situ coal
gasification and oil-shale retorting uncovered during the state-of-the-art
summary, these energy-related areas were selected for study. In conjunction
with the EPA Project Officer, RTI contacted personnel at two Energy Research
and Development Administration research centers (Laramie Energy Research
Center, LERC, and Lawrence Livermore Laboratory, LLL) to establish coopera-
tive agreements for collecting and analyzing samples from in situ coal
gasification processes occurring in Hanna and Gillette, WY, respectively.
Liquid and solid samples from an oil-shale retorting process in Debeque,
CO, were also obtained. Samples from oil-shale retorting systems were also
obtained from LERC.
A cooperative study was also established with the Morgantown Energy
Research Center (MERC) for the purpose of examining liquid and tar effluents
from a low btu coal gasification system.
The oil-shale and coal gasification experiments conducted under the
auspices of ERDA have been previously described.
SAMPLING TECHNIQUES
Preparation of Sampling Containers
Glass sampling containers were cleaned with dilute mineral acid (HC1),
rinsed with deionized-distilled water and then placed in an oven at 450°C
for 2 hr to remove any organic material. Teflon-lined, septum-type caps
without adhesives were utilized in order to minimize the inherent problem
of contamination.
29
-------
Sample Containers, Shipment and Storage
Samples designated for spark-source mass spectrometry were placed in
plastic bottles provided by Commercial Testing & Engineering Co. (CT&E,
Golden, CO): these containers were specially cleaned prior to receiving
samples by CT&E.
One-liter glass amber bottles (narrow mouth) were used for the collec-
tion, transportation and storage of liquid samples designated for analysis
of organic compounds; a 32-oz (wide-mouth) glass amber bottle was used for
the collection of tar and solid waste materials.
From the standpoint of time of transit, the preferred means of shipment
was Federal Express. This carrier was used for shipment of containers from
the laboratory to the field sites and for return of the samples; delivery
of materials was completed within a 24 hr period. The glass amber bottles
were placed in custom-made styrofoam lined shipping containers (Hibco Plas-
tics Co., Yadkinville, NC).
For quality control purposes personnel from RTI were present at the
field sites to instruct ERDA personnel on the collection of samples at the
beginning of each of the experiments. Well water samples obtained from the
Hanna in situ coal gasification site were retrieved using a brass bailer.
Samples designated for elemental analysis were obtained using a lucite
bailer. Product water and tar from the in situ coal gasification (Hanna)
was obtained from the product stream using a heat-exchange method. The
method used for sampling the high temperature stream utilized an ethylene-
glycol-cooled condenser system. The condensate from the stream was collected
directly in a sump where the product tar and water separated and then
placed in the glass amber bottles for later analysis. The entire heat
exchange sampling system was constructed of stainless steel material.
Samples from the low btu coal gasification process were taken directly
from the knock-out chamber.
Quality Control
Prior to shipment to the field site, sampling containers were checked
for potential contamination. Generally one or two containers were filled
with deionized distilled water, transported to the field and returned and
analyzed to determine the potential contamination from the shipping, storage
and sample preparation methods.
30
-------
During sample collection, a sample data sheet was attached to each
container prior to shipment to the RTI laboratory. The coded form (in
duplicate) contained information such as date and time of sampling, origin
of effluent waste relative to the energy-related process (e.g., product
water or tar, in situ coal gasification, etc.), method of sample acquisition
(from sump, knock-out chamber, etc.) and whether the sample represented
composite or accumulated material. Upon arrival at the RTI laboratory, the
samples were logged in by date received and separated according to energy
process type. A separate log book was maintained containing information as
a running account of sample preparation, analysis and data interpretation.
Samples (in duplicate) designated for multi-element analysis were
coded in alphabetic/numeric form and submitted on a blind basis to CT&E for
analysis.
Samples Received
Table 3 presents a description of the energy-related liquid and solid
effluents received and characterized for elemental and organic substances.
These samples were submitted to the analysis procedures described in Sec-
tion 7.
31
-------
Table 3. DESCRIPTION OF ENERGY-RELATED LIQUID AND SOLID EFFLUENTS RECEIVED AND CHARACTERIZED
FOR ELEMENTAL AND ORGANIC SUBSTANCES
Enerqy-related Activity
In-situ Oil-Shale Processing
In-situ Oil-Shale Processing
In-situ Oil-Shale Processing
In-situ Oil-Shale Processing
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
Organization
Occidental Oil Shale, Inc.
Occidental Oil Shale, Inc.
LERC(ERDA)
LERC(ERDA)
LERC(ERDA)
LERC(ERDA)
LERC(ERDA)
LERC(ERDA)
LERC(ERDA)
LERC(ERDA)
LERC(ERDA)
LERC(ERDA)
LERC(ERDA)
LERC(ERDA)
LERC(ERDA)
LERC(ERDA)
LERC(ERDA)
LERC(ERDA)
LERC(ERDA)
Processing Site
DeBeque, CO
DeBeque, CO
Rock Springs, WY
Hanna.WY
Hanna.WY
Hanna.WY
Hanna.WY
Hanna.WY
Hanna.WY
Hanna.WY
Hanna.WY
Hanna.WY
Hanna, WY
Hanna.WY
Hanna.WY
Hanna.WY
Hanna.WY
Hanna.WY
Sample Type
Boiler blown-down water
Discarded cavern oil-shale
Oil-shale formation water
OMEGA-9 retort water
Product water sample from Hanna II,
Phase 1 experiment
Ground water sample, well #5, Hanna II,
prior to gasification water level was 256 ft.
Ground water sample, well #6, Hanna II,
prior to gasification water level was 180 ft.
Ground water sample, well #6, Hanna II,
prior to gasification water level was 201 ft.
Ground water sample, well #5, Hanna II,
prior to gasification water level was 302 ft.
Deionized/distilled water in bailer for 10 min.,
used as reference.
Deionized/distilled water blank for bailer.
Product water sample from Hanna II,
well 5-6 gasification.
Product water sample from Hanna II,
well 5-6 gasification.
Product tar sample from Hanna II,
well 5-6 gasification.
Product water sample from Hanna II,
well 5-6 gasification.
Product tar sample from Hanna II,
well 5-6 gasification.
Product water sample from Hanna II,
well 5-6 gasification.
Product water sample from Hanna II,
well 7-8 gasification.
Product tar sample from Hanna II,
well 7-8 gasification.
Sampling Date
3/17/76
3/17/76
Sept.-Oct., 1976
3/18/76
3/18/76
3/25/76
3/25/76
3/25/76
3/25/76
4/26/76 (1400 hr)-
4/27/76 (2200 hr)
5/5/76 (1000 hr)-
5/7/76 (0900 hr)
5/5/76 (1000 hr)-
5/7/76 (0900 hr)
5/18/76 (0900 hr)-
5/19/76 (0700 hr)
5/18/76 (0900 hr)-
5/19/76 (0700 hr)
5/21/76 (0900 hr)-
5/21/76 (1900 hr)
7/6/76 (0130 hr)-
7/7/76 (0900 hr)
7/6/76 (0130 hr)-
7/7/76 (0900 hr)
Sample Code
100ICG-1L
200ICG-2L
200ICG-3L
300ICG4L
300ICG-5L
300ICG-6L
300ICG-7L
400ICG-8L
500ICG-9L
500ICG-10S
6001CG-11L
600ICG-12S
600ICG-13L
700ICG-14L
700ICG-15S
(continued)
-------
Table 3 (cont'd)
Energy-related Activity
Organization
Processing Site
Sample Type
Sampling Date
Sample Code
LO
LO
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
Low-btu Coal Gasification
Low-btu Coal Gasification
Low-btu Coal Gasification
Low-btu Coal Gasification
Low-btu Coal Gasification
Low-btu Coal Gasification
Low-btu Coal Gasification
LERC(ERDA)
LERC(ERDA)
LERC(ERDA)
LERC (ERDA)
LERC(ERDA)
LERC(ERDA)
LERC(ERDA)
LERC(ERDA)
LERC (ERDA)
LERC (ERDA)
MERC (ERDA)
MERC (ERDA)
MERC (ERDA)
MERC (ERDA)
MERC (ERDA)
MERC (ERDA)
MERC (ERDA)
Hanna, WY Product water sample from Hanna II,
well 7-8 gasification.
Hanna, WY Product tar sample from Hanna II,
well 7-8 gasification.
Hanna, WY Product water sample from Hanna II,
well 7-8 gasification.
Hanna, WY Product water sample from Hanna II,
well 7-8 gasification.
Hanna, WY Ground water from corehole =3,
water level 116 ft.
Hanna, WY Post-gasification water sample from well -1,
Hanna I water level was 117 ft.
Hanna, WY Post-gasification water sample from well ^8,
Hanna I water level was 107 ft.
Hanna, WY Post-gasification water sample from WQ-1
water level was 239 ft.
Hanna, WY Post-gasification water sample from well ^1 (
Hanna II water level was 184 ft.
Hanna, WY Post-gasification water sample from well =±4,
Hanna II water level was 165 ft.
Morgantown, WV Aqueous condensate from gasification of
Rosebud coal.
Morgantown, WV Aqueous condensate from gasification of
Rosebud coal.
Morgantown, WV Aqueous condensate from gasification of
Rosebud coal.
Morgantown, WV Aqueous condensate from gasification of
Rosebud coal.
Morgantown, WV Tar condensate from knock-out chamber
from gasification of Rosebud coal.
Morgantown, WV Tar condensate from knock-out chamber
from gasification of Rosebud coal.
Morgantown, WV Tar condensate from knock-out chamber
from gasification of Rosebud coal.
7/8/76 (0700 hr)-
7/9/76 (0800 hr)
7/8/76 (0700 hr)-
7/9/76 (0800 hr)
7/14/76 (2200 hr)-
7/15/76 (2300 hr)
7/16/76 (2100 hr)-
7/17/76 (2100 hr)
11/8/76
11/8/76
11/8/76
11/8/76
11/8/76
11/8/76
7/22/76
7/23/76
7/23-24/76
7/28/76
7/23/76
7/27/76
7/28/76
700ICG-16L
700ICG-17S
800ICG-18L
800ICG-19L
900ICG-20L
900ICG-21L
900ICG-22L
900ICG-23L
900ICG-24L
900ICG-25L
103CGC-1L
103CGC-2L
103CGC-3L
103CGC4L
103CGC-5T
103CGC-6T
103CGC-7T
(continued)
-------
Table 3 (cont'd)
Energy-related Activity
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
//7-j/fw Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
//7-«'fy Coal Gasification
In-situ Coal Gasification
/n-w'ru Coal Gasification
In-situ Coal Gasification
In-situ Coal Gasification
/n-w'ru Coal Gasification
In-situ Coal Gasification
//7-5/fy Coal Gasification
Organization
LLL(ERDA)
LLL(ERDA)
LLL(ERDA)
LLLCERDA)
LLL(ERDA)
LLL(ERDA)
LLL(ERDA)
LLL(ERDA)
LLL(ERDA)
LLL(ERDA)
LLL(ERDA)
LLL(ERDA)
LLL(ERDA)
LLL(ERDA)
LLL(ERDA)
LLL(ERDA)
LLL(ERDA)
LLL(ERDA)
LLL(ERDA)
LLL(ERDA)
Processing Site
Gillette, WY
Gillette, WY
Gillette, WY
Gillette, WY
Gillette, WY
Gillette, WY
Gillette, WY
Gillette, WY
Gillette, WY
Gillette, WY
Gillette, WY
Gillette, WY
Gillette, WY
Gillette, WY
Gillette, WY
Gillette, WY
Gillette, WY
Gillette, WY
Gillette, WY
Gillette, WY
Sample Type
Aqueous sample from dewatering well #5
Blend of liquids from dewatering well #1
and 6
Process water from in-situ coal gasification
Process tar from in-situ coal gasification
Well water sample from perm #5
Liquid process composite
Liquid process composite
Water sample from environmental well *4
Water sample from environmental well #5
Water sample from dewatering well #4
Water sample from dewatering well #5
Water sample from environmental monitoring
well #1 (30.5 m from burn zone) prior to
taking sample, well was pumped for 1 hr.
& 28-56 l/min.
Water sample from environmental monitoring
well #4 (15 m from burn zone) prior to
taking sample, well was pumped for 1 hr.
@ 28-56 l/min.
Water sample from environmental monitoring
well =f2 (30.5 m from burn zone) prior to
taking sample, well was pumped for 1 hr.
& 28-56 l/min.
Tar sample from "Production Well #1", tar was
was floating on standing water.
Water sample from dewatering well ±4, 1 hr.
after pumping @ 28-56 l/min.
Water sample from dewatering well =*5, 1 hr.
after pumping @ 84 l/min
Initial liquid sample from dewatering well M,
prior to any pumping.
Liquid sample from production well £l, 70
min. after pumping
-------
SECTION 7
PHYSICAL METHODS OF ANALYSIS
ELEMENTAL CONSTITUENTS
Mercury Determination by Flameless Atomic Absorption
The total mercury content in samples of process water, tar, oil etc.
was determined by flameless atomic absorption spectrophotometry. The
(19)
analytical protocol was based upon the method described by Kubasik.
SAMPLE PREPARATION
Solid Material
All solid waste samples were submitted to a preliminary treatment to
yield powders with a mesh size of 200-325. When required, collected materials
were crushed and finely ground to 200-325 mesh using a micromill.
Solid samples were air-dried and treated similarly.
Solid samples were digested in a Teflon-lined Parr Model 4745 acid
(21 22)
digestion bulb. ' This technique prevented the loss of volatile
mercury compounds. Organic compounds were digested by treating with fuming
nitric acid and the silaceous material dissolved with hydrofluoric acid. A
50-100 mg sample was typically treated with 2-5 ml of fuming nitric acid in
a closed bomb at 150°C for 2.5 hr. After cooling the bomb, 2-5 ml of
hydrofluoric acid was added. Additional heating of the powder bomb at
150°C for 15 min was applied, then the powder bomb was cooled to ambient
temperatures and the contents transferred to a 50-ml pyrex volumetric flask
containing dilute boric acid solution. The final mixture was diluted to a
known volume and stored in polyethylene bottles until ready for analysis.
Aqueous Samples
No digestion of sample was required; however, to prevent the adsorption
of mercury to container walls, 50 [j£ of a solution containing 5 ml of
concentrated nitric and 500 mg of potassium dichromate was added to a 10-ml
sample. This quantity was sufficient to decompose the organic materials.
35
-------
The final mixtures were diluted to a known volume and stored in polyethylene
bottles until they were ready for analysis.
Tar/Oil Samples
A wet oxidation decomposition procedure was used for the analysis of
mercury in tar/oil samples. The digestion apparatus consisted of a 500 ml
two-neck flask; a 75 ml distillation receiver equipped with a 2.5 mm o.d.
medium wall side-arm and a two-way teflon stopcock; a 60-ml addition funnel
and a 300 ml Friedrichs condenser. All ground glass joints were lubricated
with concentrated sulfuric acid. Twenty-five milliliters of concentrated
sulfuric acid was added to 5 g of the sample in the digestion apparatus.
The solution was stirred and 50-ml of concentrated nitric acid was added
dropwise through the addition funnel. After the addition of nitric acid
was complete, the temperature was gradually raised and the solution was
refluxed for 1 hr until fumes of nitrogen oxide ceased to evolve. The
mixture was evaporated down to the fumes of sulfuric acid and then the
volatile components were collected in the distillation receiver. The
residue was fumed for 5 min and then 25 ml of concentrated nitric acid was
added dropwise. The distillate was collected until all the nitric acid had
been added and fumes of sulfuric acid were generated in the flask. The
solution was allowed to fume for 5 min. The distillate was returned dropwise
to the flask and after all the distillate had been returned, it was refluxed
for 15 min. The distillation procedure was repeated once more and the
solution was then allowed to cool. The interior of the condenser and the
distillation receiver was washed with ^100 ml of water. The washings were
collected in the flask. The solution was then extracted with three 100-ml
portions of n-hexane to remove water insoluble undigested organic matter.
Nitrogen was bubbled through the extracted solution until no bubbles of n-
hexane were visually observed. A prolonged sweeping of the mixture with
nitrogen was avoided to minimize mercury loss. Twenty milliliters of
solution containing 12 g of Nad and 12 g of hydroxylamine sulfate in 100
ml of water was added dropwise with stirring. Stirring was continued until
the evolution of gas ceased and then the air space was swept with nitrogen.
The sample was then ready for analysis.
36
-------
SAMPLE ANALYSIS
Solid waste, aqueous and tar/oil samples that were prepared by the
above procedures were analyzed with a Perkin-Elmer Model 403 atomic
absorption spectrometer equipped with a mercury hollow cathode lamp and a
Perkin-Elmer Model 56 recorder as the measuring device. The atomic absorp-
tion spectrometer was equipped with a deuterium arc background corrector.
(19)
A mercury sampling system similar to that described by Kubasik, et al.
was used without the magnesium perchlorate drying tube.
The instrumental parameters in Table 4 were used.
Table 4. INSTRUMENTAL OPERATING PARAMETERS FOR FLAMELESS
ATOMIC ABSORPTION SPECTROPHOTOMETER
Parameter Setting
Spectrophotometer/Recorder
Slit x 2
Recorder full scale 1A
Recorder response x 2
Wavelength 253.7 nm
Lamp Current 10 mA
Absorption cell 153 mm long
Chart speed 10 mm/sec
Scale setting 1 mV
Purge gas (N^
Cylinder pressure 50 psi
Flow rate 1 £/min
To a 16 x 100 ml vacutainer tube (No. L3200-4807 Becton-Dickinson &
Co., Rutherford, NJ) was added 1 ml of sample and 0.5 ml of concentrated
H0SO.. The contents were cooled in ice and to them was added 3.5 ml of a
2 4
6% potassium permanganate solution. The tubes were covered with parafilm
and held at ice temperatures overnight.
The tube was centrifuged and a 1-ml aliquot of the supernatant was
transferred to another vacutainer. The tube was connected to the mercury
analysis system and 1.0 ml of a stannous chloride solution (200 g/£ in 6M
37
-------
HC1) was introduced through the vacutainer stopper in a 1-ml detachable
syringe. The solution was immediately vortexed on a Vortex genie for 15
sec. With a purge gas in a by-pass position, the stopcock controlling the
direction of the nitrogen flow was rotated to 180°, flushing the mercury
vapor space through the absorption cell. The absorbance was recorded and
the system readied for another sample.
Each sample was digested in duplicate and at least 1 ml aliquots were
analyzed from each digest. The blank and all standards were analyzed in
the same manner.
Standard solutions were made up in the following manner:
(1) 1 ml of a 1,000 ppm mercury standard solution (Fisher Scientific
Co.) was diluted in a volumetric flask with deionized water. Final concen-
tration was 10 (Jg/ml;
(2) 1 ml of the above solution was diluted to 100 ml in a volumetric
flask with deionized water, final concentration 100 ng/ml;
(3) to each of six vacutainers were added 1 ml of deionized water and
0.5 ml of concentrated H_SO, with ice cooling. Increasing amounts of
mercury solution was added to the tubes. Each standard solution was made
up in duplicate;
(4) to each tube was added 3.5 ml of 6% potassium permanganate solution,
the top covered with parafilm and held at ice bath temperatures overnight;
(5) two 1 ml aliquots of these solutions were analyzed as described
above;
(6) an average peak height was determined for each mercury concentration
and after correcting for the blank volume plotted on linear graph paper
against mercury concentration. A typical calibration curve is shown in
Fig. 1. Mercury concentrations in samples were interpreted directly from
this plot.
DETECTION LIMITS
The analytical protocol was capable of analyzing mercury with detection
limits of 0.4 ng/ml. For solids, a detection limit of 2 |Jg/g was typical.
A 100-mg sample with this concentration corresponded to a digested solution
of 0.2 |Jg/50 ml (4 ng/ml). The detection limits for tar samples were
somewhat higher and were highly dependent upon the background contribution
from the sample from other constituents present.
38
-------
80-
70 -
60 -
•50 -
30 _
20 _
10 _
8 10
15 20 25 30 35
Hg in aqueous s am pies (ng/inl)
Figure 1. Calibration curve for total mercury analysis in aqueous samples.
-------
INSTRUMENT CALIBRATION (QUALITY CONTROL)
Calibration was accomplished by the method of standard additions for a
number of different types of sample matrices. Periodic checks were made
during an analytical run to insure continued accuracy. All standard and
blank samples were treated as much as possible similarly to the test
sample. A certified fly ash sample (0.14 |jg/g mercury) from the National
Bureau of Standards was used as a primary standard for evaluating the
accuracy of the assay.
ELEMENTAL DETERMINATION BY SPARK-SOURCE MASS SPECTROMETRY
Multi-element analysis of components of energy-related wastes and
effluent samples was conducted utilizing spark-source mass spectrometry.
The detector employed for the spark-source was a photographic plate that
allowed simultaneous detection of the elemental spectra from mass 7-240.
Sample Preparation
Solid samples were prepared by mixing a 0.1 g sample with 0.1 g of
ultrapure graphite in an agate mortar, adding the internal element standard
along with a few drops of redistilled alcohol, and then evaporating the
alcohol and water from the mix with an infrared lamp.
Liquid samples were prepared by mixing a 25-ml aliquot of sample with
0.2 g of ultrapure graphite in an agate mortar, adding the internal element
standard along with a few drops of redistilled alcohol, and evaporating the
alcohol and water from the mix with an infrared lamp.
The resulting mix was then compacted into polyethylene slugs and
inserted into a metal die. Hydraulic pressure was applied to the die and
slug forming a graphite electrode that was then mounted in a spark-source
f -i - (23)
for analysis.
When excessive amounts of organics were contained in any of the solid
or the liquid samples, it was necessary to ash the sample thermally in a
quartz container at 350°C with an appropriate amount of ultrapure graphite
and the internal element standard. This procedure was necessary to eliminate
interfering hydrocarbons for easier analysis and data interpretation.
Spark-Source Analysis
To exemplify the procedures used, an example of trace element determina-
tion will be presented. In general for a solid sample, calculated detection
limits for each element were presupposed on several points: (1) a 0.1 g
40
-------
solid sample; (2) 0.1 g of ultrapure graphite used for spark-source elec-
trode; (3) internal element standard added at 10 |Jg/ml sample; (4) a total
of 210 nanocoulombs (nC) to be taken from side of the electrode in decreasing
exposure on the plate: 100, 60, 30, 10, 6, 3, 1, 0.06, 0.01, 0.006 and
0.001 nC. This series of exposure covered the ppm concentration range for
most trace elements.
Elemental detection limits of ~0.1-0.5 ppm were met and exceeded in
most cases on solid samples. For a liquid sample calculated detection
limits for each element were presupposed on several points: (1) a 25 ml
sample; (2) 0.2 g of ultrapure graphite used for spark-source electrode;
(3) internal standards added at 10 [Jg/ml sample; (4) a total of 210 nC to
be taken from each set of electrodes in the same manner of decreasing
exposure as for solid samples. This series of exposures covered the ppb
concentration range for most trace elements. Elemental detection limits of
~l-2 ppb were met and exceeded in most cases on a liquid sample.
The calculation of concentrations was based on relative sensitivity
factors determined from the elemental spike, which was indium. Detection
limits were estimated by a "just disappearing line" technique. An example
of this method is described here for barium.
The element barium has seven naturally occurring isotopes at mass-to-
charge (m/e) of 130, 132, 134, 135, 136, 137 and 138. The relative isotope
abundances are 0.108%, 0.119%, 2.44%, 6.58%, 7.87%, 11.41% and 71.05%,
respectively. Detection limits for barium which exemplify the calculations
also for other elements were as follows:
_ Cone. Std. x Just Detectable Exposure
Longest Exposure
where
sp = photographic plate sensitivity, ^-^_-, the relative concentration
in ppm weight of any isotope that is "just detectable" on the
longest exposure
When indium is used in a concentration of 10 |Jg per 0.1 g of solid sample
the indium 115 isotope "just disappears" on the 0.1 nC line. Therefore,
assume:
41
-------
0.1 g solid sample
10 |Jg indium internal standard
indium 115 isotope 96.67% natural abundance
indium 113 isotope 4.24% natural abundance
Concentration of the impurity element can then be calculated.
longest mass _ relative
exposure _ element isotopic opn=i M vitv
Pm-ir* = «r> Y - - - X - ~~ - X ,- X i>eufc>-L L J- V _L Ly
Cone. sp x mass Qf gt(L x just factor factor
isotope detectable
exposure
The relative sensitivity factors (RSS) were used which are average
sensitivity factors for a variety of matrices.
For barium then, a detection limit was calculated if the m/e 138
isotope of barium "just disappeared" on the 100 nC exposure as follows:
_ o
Cone, barium yg/g = 9. 9 x 10 x - x - x 1.4 x 1 RSF
or
Cone, barium [Jg/g = 1.6 x 10 |Jg/g or this can be expressed as 0.16
|jg/g (0.16 ppm).
Similar calculations were used for each of the trace elements occurring
in the energy-related waste and effluent samples to obtain calculated
detection limits.
(24)
Plate Interpretation
Photoplate interpretation was carried out using the "just disappearing"
line method. Photoplate detection allowed the simultaneous determination
of all ion spectra and provided a reproducibility of response of +3-5%.
Precision and Accuracy
Accuracy was related to ability to determine precisely elemental
values both in a standard and in a given sample. The degree of certainty
of analysis was then related to precision and thus to accuracy. Pulson,
(25)
Elvesier and Keller determined that isotope dilution spark-source mass
spectrometry can be good as 3%, but ranges from 3-10% at 95% confidence
limit. Total overall precision when the densitometer method is used (conden-
sed from a variety of literature references) is ~3-20% using a photoplate
42
-------
(26-29)
recording device. Precision in applying the "just disappearing
line" technique was normally +100% at a 1 ppm concentration level. Accura-
cies were related to the external standard.
ORGANIC COMPOUNDS
Sample Preparation
Volatiles--
Volatile organic compounds were recovered from water and tar samples
(30-37)
using previously developed methods. An aliquot of the water (3-100
ml) or tar (5 |J£) sample was appropriately diluted with deionized-distilled
water to a constant volume (100 ml), placed in a glass vessel, and the
volatiles purged with an ultra-pure stream of helium gas (Fig. 2). The
helium stream passed through a short glass condenser to eliminate the bulk
of water vapor. The volatile compounds were trapped in a glass cartridge
containing Tenax GC sorbent (2,6-diphenyl-p_-phenylene oxide, Applied Science
Lab., State College, PA, 35/60 mesh) .<-31 '32 '36'37^ The preparation and
conditioning of the Tenax GC sampling cartridge (bed dimension of 1.5 cm
(38 39)
x 8 cm) has been previously reported. ' Volatiles were purged by
heating the liquid sample to 40-60°C at a flow of 25 ml/min of helium for
90 min (Fig 2). Previous research at RTI had indicated that these conditions
were necessary for quantitative recovery of organic compounds up to a
volatility, molecular weight and solubility similar to naphthalene and C ,
aliphatic hydrocarbons for non-polar compounds and of compounds containing
heteroatoms (oxygen, nitrogen and sulfur) without active hydrogens up to a
molecular weight of ^150 with an appreciable volatility (semi-polar group).
The highly polar compounds containing active hydrogens (e_.g_. , alcohols,
acids and amines) could not be quantitated by the procedure; however, they
were analyzed after solvent extraction and derivatization.
The quantitative trapping and retainment of organic vapors on Tenax GC
had been previously determined in our laboratories by using a backup cart-
ridge to ensure that the flow rate and purging time used did not exceed the
breakthrough volume of the sorbent for each organic compound purged. Also,
after 90 min of He purging, the Tenax GC cartridge was replaced with a
virgin one, and the liquid sample was purged for an additional 90 min.
Less than 10% additional volatiles were recovered during the second 90 min.
43
-------
Tenax GC Cartridge
Teflon Fitting
Condenser
Thermometer
He Input
Bubbler
Figure 2. Apparatus for VGA purge
44
-------
The Tenax GC cartridges containing volatile organics were analyzed by
thermal desorption techniques using an inlet-manifold system previously
developed at RTI.(36~38)
In cases where excessive foaming occurred, the lowest temperature
(40°C) allowable for quantitative recovery was used in combination with
vigorous stirring. For this reason a round bottom flask as depicted in
Fig. 2 was used.
During the course of the program, a dehydration step was included to
remove excess water from the Tenax cartridge prior to instrumental analysis.
Tenax cartridges were stored over 1 g CaSO, for 2 hr in Kimax^-'culture
tubes immediately after purging and then stored as previously described.
Comparison of replicate cartridges with and without a drying step indicated
no loss of organic volatiles.
SAMPLE PREPARATION
Semi-volatile organic compounds normally not recovered by the above
procedure were extracted from water (100 ml) and tar (5-10 |Jg) by trans-
ferring a fresh sample to a separatory funnel equipped with a teflon stopcock
r^ ^^™^u& ,,^™ ^. „ ^ . The f ractionation scheme is shown in
Fig. 3. The pH of the aqueous solution was adjusted to >11 and <4 with IN
NaOH and IN HC1, respectively, for the extraction of basic and acidic
e ^ , _. . „ was purified by florisil column
chromatography. Organic solvent blanks were simultaneously processed.
The combined organic solvent extracts (3) were concentrated in a
Kuderna-Danish apparatus to ^300 (j£ and the final volume was measured to
the nearest 10 |j£ and the concentration of substances was expressed in ppb
or ppm in the original liquid sample.
Aqueous Process Effluents
Neutral Fraction--
The fraction containing neutral compounds derived from extraction of
the Freon-TF^-'phase with aqueous acid was concentrated for analysis. The
organic layers were combined and evaporated in a Kuderna-Danish apparatus.
The concentrate was submitted directly to glc/ms/comp analysis.
Basic Fraction--
The aqueous acid fraction remaining after the removal of neutrals was
adjusted to pH 12 with 5N NaOH and extracted with four 100-ml portions of
45
-------
Water or Liquid
Tar Sample
pH adjusted to >12,
extract with Freon-TF
Freon-TF : Extract with
aqueous acid, pH - 4
Aqueous: Acidify to
pH <4, extract with
Freon-TF
Freon-TF^ : Semi-volatile
and non-volatile neutrals
Aqueous: Adjust pH to
>12, extract with
Freon-TF
Freon-TF w : Semi-volatile
and non-volatile acids
Freon-TF^ : Semi-
volatile and non-
volatile bases
Treat with CH N,
or (CH3)2S04
Treat with PFPA
glc-ms-comp
—> and <—
glc-ft-ir-comp
Figure 3. Schematic for recovery and analysis of semi-volatile organics
from water or liquid tar samples.
46
-------
organic solvent. The organic phases were combined and evaporated in a
Kuderna-Danish apparatus. The Kuderna-Danish reservoir was rinsed and the
concentrate and rinsings combined and further evaporated under a slow
stream of N to 300 (j£. The concentrate containing basic compounds were
derivatized by treatment with perfluoropropionic anhydride (100 [j£). The
mixture was heated to 35-45°C for 1 hr and neutralized with a few drops of
5% NaHCCL. The lower organic layer was transferred to a graduated Reacti-
®-3
.^-.^ concentrated to 300 (j£ under a slow stream of nitrogen and submitted
to instrumental analysis.
Acidic Fraction--
The original alkaline aqueous layer was adjusted to pH 4 with IN HC1
and extracted with four 100-ml portions of organic solvent. The organic
layers were combined and concentrated to 2 ml. The apparatus was rinsed
and the rinsings were combined with the original concentrate and further
evaporated under slow stream of nitrogen to 300 \Jt&. The concentrate was
treated with diazomethane to methylate the acidic components. This
procedure satisfactorily converted the carboxylic acids; however, the
phenols were chromatographed as the parent compounds.
Tar/Oils and Solid Samples
The organic compounds in oil or tar were fractionated by dissolving 5-
10 n£ of sample in 100 ml of Freon-TFM The Freon-TF^-'layer was then
extracted with an equal volume of IN HC1 to remove organic bases. The
aqueous acid layer was then adjusted to pH 11 with 5N NaOH and the organics
~~ (S\
recovered by multiple organic solvent extractions. The original Freon-TF^'
fraction was then partitioned with base to separate neutral and acidic
compounds. Derivatization of the acidic and basic fractions were carried
out as described below.
ANALYSIS BY GLC/MS/COMP
Volatiles
Recovery of Volatile Organics Collected on Tenax GC Cartridge Samplers--
The inlet-manifold (Fig. 4) for recovering volatile organics trapped
on Tenax GC cartridges was previously developed under a research program at
RTI (EPA Contract No. 68-02-1228) and was used in this program/3 "39) The
design and performance of the inlet-manifold system have been previously
,. , (36-39)
discussed.
47
-------
00
PURGE
GAS -
r
SAMPLING
CARTRIDGE
ALUMINUM
HEATING -
BATH
PLATINUM
PROBE
SENSOR
qL-s?
COMPRESSION SPRING
VtlM 1
ALUMINUM
HFATIMH *.
BATH
SIX- PORT /s^
TWO POSITION
VALVE
S
\\
/<
,(:
6
<
ir
— ,
d
— ^
-
S
\
)
r —
1
TEMPERATURE
CONTROLLER
0 0
o o
r^->
O-.
HEATING
CARTRIDGE
CARRIER GAS
.TO GLC
CAPILLARY
HEATING AND COOLING BATH
Nl CAPILLARY TRAP
VALVE POSITION A
(SAMPLE DESORPTION)
PURGE
GAS
VENT
h
VALVE POSITION B
(SAMPLE INJECTION)
>-TO GLC
PURGE
GAS
Figure 4. Thermal desorption inlet-manifold
-------
In a typical thermal desorption cycle, a Tenax GC cartridge was placed
in the preheated chamber (~270°C) and the helium gas was passed through the
cartridge (>20 ml/min) to purge the vapors into the liquid nitrogen cooled
Ni capillary trap. These conditions constitute the valve position "A"
(Fig. 4). After the thermal desorption step was completed (>4 min), the
six-port valve was rotated to position "B" (Fig. 4) and the temperature on
the capillary loop was rapidly raised whereupon the carrier gas carried the
vapors onto a high resolution glass capillary column (Support Coated Open
Tubular, SCOT).
Gc/ms/comp Operating Parameters--
The desorbed vapors were subsequently resolved and mass cracking
patterns were automatically and continuously obtained throughout the glc
run with a Varian MAT CH-7 mass spectrometer/6201 computer system. Figure
5 depicts a schematic of this system. The operating parameters are given
in Table 5. The SCOT column, which was prepared by previously described
(38 39)
techniques in this laboratory, ' was coated with OV-101 stationary
phase. The elution order for over 200 compounds was established using
authentic materials.
Typically the mass spectrometer was set to operate in the repetitive
scanning mode. In this mode, the magnet was automatically scanned exponen-
tially upward from a preset low to high mass value. Although the scan
range could be varied depending on the particular sample, typically the
range was from m/e 28 to m/e 400. The scan cycle was completed in approxi-
mately 3 sec. At this time the instrument automatically reset itself to
the low mass position in preparation for the next scan and the information
was accumulated by an on-line 620/L computer onto magnetic tapes. The
reset period required approximately 3 sec, thus a continuous scan cycle of
<6 sec was maintained.
Prior to running unknown samples, the system was calibrated by intro-
ducing a standard substance such as perfluorokerosene into the instrument
and determining the time of appearance of the known standard peak in rela-
tion to the scanning magnetic field. The calibration curve was stored in
the 620/L computer memory.
With the magnet continuously scanning, the sample was injected and
automatic data acquisition was initiated. As each spectrum was acquired by
49
-------
Sample
inlet/
manifold
Gc column
(capillary)
Random
access
disk
Separator
Varian CH-7
mass
spectrometer
Varian
620L
computer
9-track
magnetic
tape
Ul
o
Cornell U.
PBM/STIRS
Search Sys-
tem
and/
or
Cyphernetics
time shared
PDP/10
and/
or
RTI IBM 370
Mass Spec
Library-Search
Program
Figure 5. Schematic diagram of gc-ms computer system and library search systems
-------
Table 5. OPERATING PARAMETERS FOR GLC-MS-COMP SYSTEM
Parameter
Setting
Inlet-manifold
desorption chamber
valve
capillary trap - minimum
maximum
thermal desorption time
GLC
100 m glass SCOT OV-101
50 m glass SCOT Carbowax 20M
carrier (He) flow
transfer line to ms
MS
scan range
scan rate, automatic-cyclic
filament current
multiplier
ion source vacuum
270°C
220°C
-195°C
220°C
4 min
20-240°C, 4/C° min
80-240°C
~3 ml/min
240°C
m/e 20 -> 300
1 sec/decade
300 UA
6.0
~4 x 10 torr
51
-------
the computer, each peak which exceeded a preset threshold was recognized
and reduced to centroid time and peak intensity. This information was
stored in the computer core while the scan was in progress. In addition
approximately 30 TIC values and an equal number of Hall probe signals were
stored in core as they were acquired. During the 3-sec period between
scans, this spectral information along with the spectrum number was written
sequentially on magnetic tape and the computer was reset for the acquisition
of the next spectrum.
This procedure continued until the entire gc run was completed. By
this time there were from 300-1,000 spectra which were then subsequently
processed. Depending on circumstances, the data were either processed
immediately or additional samples were run, stored on magnetic tape and the
results examined at a later time.
The mass spectral data were processed in the following manner. First
the original spectra were scanned and the TIC information was extracted.
Then the TIC intensities were plotted against spectrum number on a Statos
3185 recorder. The information was generally indicative of whether the run
was suitable for further processing since it gave some idea of the number
of knowns in the sample and the resolution obtained using the particular
glc column conditions.
The next stage of the processing involved mass conversion of the
spectral peak times to peak masses, which was done directly via the Dual
Disk System. The mass conversion was accomplished by use of the calibration
table obtained previously. Normally one set of calibration data was suffi-
cient for an entire day's data processing since the characteristics of the
Hall probe for the variation of calibration was <0.2 atomic mass units/day.
Nevertheless the calibration table was checked to make sure that variation
in the atomic mass units assignment did not occur. A typical time required
for this conversion process for 1,000 spectra was approximately 30 min.
After the spectra were obtained in mass converted form, processing
proceeded either manually or by computer. In the manual mode, the full
spectra of scans from the gc run were recorded on a Statos 3185 printer-
plotter. The TIC information available at this time was most useful for
deciding which spectra were to be analyzed. In most cases, the
52
-------
chromatographic run was extremely rich and all the spectra needed to be
outputt and individually interpreted.
Semi-Volatiles
The semi-volatile organic compounds (neutral, methylated acids and
derivatized base fractions) were analyzed by high resolution glass capillary
column gc/ms/comp techniques using a splitless injection method. The pre-
viously described inlet-manifold was used for introducing the semi-volatile
compounds in the following manner. A 3-5 \i& aliquot was applied to glass
wool (0.5 cm x 1.5 cm in length) in a glass cartridge. After the solvent
had evaporated (approximately 3 min), the desorption through the inlet-
manifold and injection into the high resolution column was essentially the
same as described for volatile organics. For the analysis of semi-volatile
organic compounds, a 50-m glass SCOT column coated with Carbowax 20 M was
used for effecting the resolution of the components in the mixture (Table
5).
ANALYSIS BY GAS CHROMATOGRAPHIC FOURIER TRANSFORM INFRARED SPECTOSCOPY COMPU-
TER TECHNIQUES
In general, methods of organic compound identification rely on the
empirical correlation between molecular properties and the observed data.
Ambiguity in substance identification can be expected and confirmation by
two or more independent analytical methods is preferable. The unique
structural information on the molecule contained in the infra-red spectrum
when combined with those derived from other analytical methods greatly
reduced the uncertainties in the identification of trace quantities of
substances.
Although the primary technique employed for trace organic character-
ization of energy-related effluents in this program was high resolution
gc/ms/comp, we also used gas chromatography/Fourier transform infrared
spectroscopy/computer (gc/ftir/comp) techniques for characterization of
semi-volatile organic compounds. The application of the gc/ftir/comp to
analysis of the organics in energy samples was confined to a few samples,
in particular, the semi-volatile components of the acid fraction.
DATA INTERPRETATION
Identification of resolved components was achieved by comparing the
mass cracking pattern of the unknown to an eight major peak index of mass
53
-------
spectra. ^ Individual difficult unknowns were submitted to the Cornell
University STIRS and PBM systems and/or the EPA MSSS System (Cyphernetics)
for identification. When available, authentic compounds of the tentatively
identified components were obtained and chromatographed under identical
conditions on the OV-101 or Carbowax 20 M glass capillary column. The
elution time and temperature for the authentic compounds was compared to
the unknown in order to establish further the identity of the component.
Particular note was made of the comparison of the boiling point of the
tentatively identified compound with the elution temperature and the order
of elution of other constituents in the same homologous series since the
OV-101 SCOT capillary column separates primarily on the basis of boiling
point.
The identity of the components in energy samples was assigned on a
graded scale. Positive identification was assigned for those compounds for
which the observed spectra matched library spectra and/or indexes of tabu-
lated spectra and the elution time and temperature corresponded with that
of an authentic compound. In many cases where the isomeric form could not
be distinguished, the name of the compound as an isomer was indicated. In
many cases, only an empirical formula could be assigned since the mass
cracking patterns of isomers were very similar and the retention index could
not be determined for all of the isomers since all the authentic compounds
were not available. In some cases, a tentative identification was assigned
when the mass cracking pattern yielded a "similar" match, and no retention
index was available for that compound.
QUANTIFICATION OF VOLATILES AND SEMI-VOLATILES
The volatile and semi-volatile compounds were quantitated by glc/ms/
comp utilizing the total ion current monitor and, when necessary, mass
fragmentography. In order to eliminate the need to obtain complete calibra-
tion curves for each compound for which quantititative information was
desired, we used the method of relative molar response (RMR) factors.
Successful use of this method required information on the exact amount of
reference standard added and the relationship of the RMR for the unknown to
the RMR of the standard. The method of calculation was as follows:
54
-------
A . /Moles ,
(1) RMR = unk unk
unknown/standard A . /Moles ,
std std
A = peak area, determined by integration or triangulation.
The value of RMR is determined from at least three independent analyses.
A /g /GMW .
unk unk unk
(2) RMR ,
unk/std
A = peak area, as above
g = number of grams present
GMW = gram molecular weight
Thus, in the sample analyzed:
A -CMS -g .
unk unk std
(3)
'unk A 'GMW ,-RMR , , ,
std std unk/std
The reference standards were added after the volatile organics were
trapped on a Tenax GC sampling cartridge but prior to thermal desorption or
were added directly to the Kuderna-Danish concentrate. For the quantifica-
tion of volatile organic compounds, the two reference standards were hexa-
fluorobenzene and perfluorotoluene (200 ng each). These compounds were
observed in previous research to elute from an OV-101 glass capillary
column at a temperature and retention time which did not interfere with the
analysis of unknown compounds in the samples. Used as the reference standard
for quantification of semi-volatile organic compounds was d -nitrobenzene
(200 ng).
The volume of the sample used for purging volatiles or the extraction
of semi-volatile compounds was accurately measured (+1%) prior to processing.
The concentration was calculated in ppm or ppb. The major advantage of this
technique was that once the reference standard had been added to a sample
containing a series of unknown compounds, the quantity of the unknowns could
be determined after their identities had been established. The relative
molar response ratio was calculated by using an authenic standard of that
compound or an analog. A disadvantage of this approach is that a wide range
of volatility of compounds was observed and the chromatographic separation
occurred over a wide temperature range (20-240°C). The reproducibility
(+50%) here is less than what can be achieved when an internal standard is
55
-------
used which has physical and chemical properties more closely resembling the
compounds to be quantified. Because of the complexity of these samples,
however, it was not feasible to utilize a large number of standards for the
purpose of quantification. Nevertheless, as can be seen in the data, the
reproducibility was in most cases well within a factor of two. Using this
approach, it was also possible to obtain both qualitative and quantitative
information on a single sample since it was possible to characterize the
sample first and then return at a later time to the data stored on magnetic
tape to determine the concentration of each of the constituents in the
sample.
QUALITY CONTROL PROCEDURES
An analytical quality control and assurance program that applied to
qualitative and quantitative analysis of trace organics was divided into
five categories: (a) sample and data logging; (b) reagent and glassware
control; (c) instrumentation control; (d) supporting experiments; and (e)
data evaluation. The quality control associated with sampling procedures
and data logging is given in Section 6.
Reagents and Glassware
In order to minimize the introduction of contamination from the materials
used in the purification procedures, we used a reagent and glassware control
that incorporated blanks. High quality commercial reagents and solvents are
available, but the quality can be somewhat variable and unpredictable. The
Freon-TF^-'which was used for extraction of semi-volatiles was purified by
florisil column chromatography prior to its use and then concentrated by a
factor of 100 to determine the potential contaminants. This procedure was
__,_ ~~^^ ^ . The deionized-distilled water was
obtained by passing tap water through an ion exchange bed and a carbon
adsorption cartridge to remove trace elements and organic constituents,
respectively, prior to its distillation. For determining the background
constituents during purging of volatile organics, the water which was used
for the dilution of the liquid samples was independently assessed for back-
ground contamination by subjecting the water to the entire analytical
procedure including gc/ms analysis. All glassware was cleaned with Isoclean,
rinsed successively with deionized-distilled water, HC1, deionized water and
56
-------
then heated to 450°-500°C to insure the removal of all traces of organic
compounds.
Instrumental Control
Instrumental control techniques were employed to insure that the total
operating system was calibrated and in proper working order. This was
performed by procedures which employ the use of a standard reference mixture
and a set of reference criteria to evaluate the performance of the overall
high resolution gc/ms/comp system. The standard reference mixture contained
12 compounds which represented non-polar, semi-polar and polar substances.
This reference mixture was subjected to high resolution gc/ms/ comp analysis
at the beginning of each working day. In this manner the performance of the
high resolution gc column, the sensitivity of the mass spectrometer, the
calibration of the mass spectrometer and the performance of the computer
system was monitored by evaluating the results of the reference mixture.
Radiolabeled Recovery Studies
To determine the efficiency of recovery for the volatile and semi-
volatile purification procedures, radiolabeled compounds were employed.
Toluene[Ring- C, 4.0 pC/mM], benzene [ C (U), 14.7 pC/mM], palmitic acid
[14C (U), 613 pC/mM], benzoic acid [7-14C, 13.6 pC/mM], phenol [14C (U),
14 14
10.7 pC/mM], acetone [2- C, 6.5 pC/mM], dimethylbenzanthracene- C, phenyl
14
ethyl amine-HCl- C, and 3-amino-l,2,4-triazole were purchased from New
14
England Corporation, Boston, MA. Acetonitrile [1- C, 14.9 pC/mM] and n-
14
hexanoic acid [1- C, 58 pC/mM] were purchased from Amersham Searle, Corp.
Plains, IL.
The radioisotopes were diluted in distilled deionized water to a final
concentration of a few microcuries/milliliter. Energy samples spiked with
individual radiolabeled compounds prior to sample purification, aliquots of
the solid sorbent Tenax and liquid fractions from the liquid-liquid
fractionation scheme were counted in a Packard Tricarb 3375 liquid scin-
tillation spectrometer. To the fraction was added 15 ml of scintillation
fluid and the sample was counted until a standard error of 2.5 was obtained.
The scintillation fluid contained 18 g of Omnifluor, 1 £ of Triton-X and 2
£ of toluene. Observed radioactivity was corrected for quenching by the
external standard ratio method and also evaluated by the addition of known
57
-------
quantities of radiolabeled compounds to each of the fractions to be counted.
All counts were converted to disintegrations per minute.
The use of radiolabeled compounds allowed an assessment of the indivi-
dual steps utilized for the recovery of the organic constituents as vola-
tiles, and semi-volatile organic acids, bases and neutral compounds prior to
instrumental analysis. Although all samples were not subjected to
radiolabeled recovery studies, selected energy samples were processed which
represented the various types of energy-related processes in order to
assess the reliability of the purging and liquid-liquid extraction schemes.
58
-------
SECTION 8
RESULTS AND DISCUSSION
METHODS OF ANALYSIS
Radiolabeled Recovery Studies
Volatiles--
The recovery of volatile organic compounds from aqueous solutions has
C O M *3O / O ^
been studied in several laboratories. ' The technique as described
in Section 7 employs an inert gas, helium, which is bubbled through the
sample to transfer the volatile compounds from the aqueous phase to the
gaseous phase and trap them on Tenax GC, a solid sorbent. The recovery of
carbon-14 labeled acetone, acetonitrile, benzene and toluene from several
aqueous samples from energy-related processes (in situ coal gasification)
was determined. For compounds which are highly soluble in water, e^g. ,
acetonitrile, the recovery by this method was found to be very low (~10%).
14
The recovery of C-labeled acetone was ~50%. On the other hand, the
recovery of hydrocarbons, aromatics (benzene and toluene) and alkyl-aromatics
was >_ 80%. These observations are consistent with the reported data for
recovery of volatile organics from sewage treatment effluents.
In general, the purging of volatile organics from an aqueous medium
utilizing an inert gas is quantitative for compounds with boiling points
<210° and <2% solubility and for compounds with boiling points of <150° with
a solubility <10% in water. Utilizing the percentage recoveries which were
determined for ketones, aliphatic and aromatic hydrocarbons, thiophenes and
aldehydes, the concentration was calculated for each specific sample compo-
nent by correcting for the percentage recovery.
Semi-Volatiles--
The percentage recovery of selected radiolabeled compounds which were
added to aqueous and tar samples from energy processes was determined for
the liquid-liquid extraction method described in Section 7. The percentage
recovery for a few selected neutral acidic and basic compounds was
59
-------
determined by their addition to several different energy samples. Table 6
presents the percentage recovery which was observed for the liquid-liquid
extraction method employed. The percentage recovery presented in this
table represents the average overall recovery observed prior to instrumental
analysis. For toluene and dimethylbenzanthracene, essentially quantitative
recovery was observed for the liquid-liquid extraction method and the
Kuderna-Danish concentration steps. Quantitative recoveries for palmitic,
hexanoic, and benzoic acids and phenol were also obtained. However, the
highly water soluble butyric acid was not recovered from water by the
liquid-liquid extraction method. It was concluded that, for quantification
of acids utilizing this liquid-liquid extraction method, reliable data
could be obtained for acids containing four or more methylene units.
Two bases were also subjected to the liquid-liquid extraction method
to determine its efficiency. A recovery of ~68% was observed for phenyl
ethyl amine in the basic fraction with only traces remaining in several
other fractions. In contrast, the highly water soluble amine, 3-amino-
1,2,4-triazole, could not be quantitatively extracted.
From these data, it was concluded that highly water soluble and/or low
molecular weight compounds could not be recovered by this liquid-liquid
extraction technique or retained in the receiver of the Kuderna-Danish
apparatus. These data were used for calculating the quantities of the
individual semi-volatile acids, bases, and neutral compounds in the energy
samples.
Quantification by GC/MS/COMP Relative Molar Response (RMR) Factors
The RMR of several aliphatic and aromatic compounds based upon the
total ion current monitor are presented in Table 7. For each compound, the
RMR is presented as an average of five determinations along with their
statistical variance and standard deviation. The RMR factors were calculated
for the two external standards, perfluorobenzene and perfluorotoluene. As
can be seen from these data, similar RMR's for the aliphatic hydrocarbons
allow calculation of an "average RMR" for this chemical class. Thus, other
compounds in the same chemical class for which authentic standards were not
available could be quantified.
Many additional RMR's which are not presented in this table were
determined and calculated, however, for the purpose of demonstrating this
60
-------
Table 6. PERCENT RECOVERY OF SELECTED RADIOLABELED COMPOUNDS USING
LIQUID/LIQUID EXTRACTION METHOD
Radiolabeled Compound
Toluene
Dime thy Ibenzanthracene
Palmitic acid
Hexanoic acid
Benzoic acid
Butyric acid
Phenol
Phenylethylamine
3-Amino-l, 2, 4-triazole
Neutral
76 + 9%
83 + 12%
31 + 4%
0%
0%
0%
0%
3 + 2%
0%
Acid
0.8 + 0.4%
3.0 + 1.0%
80 + 8%
75 + 5%
54%
0%
53 + 3%
2 + 1%
0%
Fraction
Base
1.2 + 0.6%
0%
0%
0%
1.5%
0%
0%
68 + 7%
0%
+a
H20/H
1.5 + 1.0%
0%
0%
24 + 3%
45%
87 + 13%
46 + 4%
11 + 3%
85 + 14%
b
H20/OH
0%
0%
0%
0%
0%
0%
0%
4 + 2%
0%
Total
(Organic Phase)
79.5%
86.0%
111.0%
75.0%
55.5%
0%
53%
73.0%
0%
Remaining after extraction of acidic solution.
Remaining after extraction of basic solution.
-------
Table 7 . EXAMPLES OF RELATIVE MOLAR RESPONSE (RMR) FACTORS FOR SEVERAL
COMPOUNDS BASED UPON TOTAL ION CURRENT MONITOR
Compound
n-Heptane
n-Nonane
n-Undecane
n-Tridecane
1-Heptene
Di-n-butyl ether
2-Pentanone
2-Ethylf uran
Tetrahydronaphthalene
4-Vinyl-l-cyclbhexene
Cyclohexene oxide
Toluene
Cumene
1,3, 5-Trimethylbenzene
1, 2, 4-Trimethylbenzene
1,2, 3-Trimethylbenzene
Phenylacetylene
Naphthalene
o-Xylene
Anisole
Acetophenone
2-Me thy Ibenzof uran
a-Methylstyrene
Indan
m-Tolualdehyde
o-Ethylaniline
PFBa
RMR
1.
1.
1.
1.
1.
5.
2.
2.
1.
1.
1.
2.
1.
1.
1.
1.
1.
1.
2.
1.
1.
1.
1.
1.
1.
1.
39
85
71
31
84
90
84
59
98
59
28
38
56
48
47
26
25
34
90'
77
58
46
88
54
56
62
Var.b
0.
0.
0.
0.
0.
0.
0.
0.
-
0.
0.
0.
0.
0.
0.
0.
0.
-
0.
0.
0.
0.
0.
0.
0.
0.
150
020
048
130
001
300
260
230
040
020
020
050
050
025
040
001
170
290
040
003
001
024
020
170
S.
0.
0.
0.
0.
0.
0.
0.
0.
-
0.
0.
0.
0.
0.
0.
0.
0.
-
0.
0.
0.
0.
0.
0.
0.
0.
D.C
39
14
22
36
04
55
41
48
22
13
15
22
O 0
i_ ^.
16
19
03
42
54
20
06
01
16
15
41
RMR
1
2
1
1
2
6
2
O
z.
1
1
1
2
1
1
1
1
1
1
2
2
1
1
2
1
1
1
.66
.04
.94
.44
.01
.40
.94
.68
.72
.84
.32
.48
.76
.63
.47
.45
.45
.53
.33
.14
.79
.32
.04
.76
.54
.28
PFTa
Var.
0.
0.
0.
0.
0.
0.
0.
0.
-
0.
0.
0.
0.
0.
0.
0.
0.
-
0.
0.
0.
0.
0.
0.
0.
0.
080
008
016
110
001
130
060
100
010
030
110
026
037
006
013
010
200
040
007
030
004
027
003
060
S.D.
0.29
0.09
0.12
0.34
0.04
0.36
0.240
0.320
-
0.10
0.17
0.33
0.16
0.19
0.08
0.11
0.12
-
0.41
0.20
0.08
0.18
0.06
0.16
0.06
0.25
PFB = perfluorobenzene, PFT = perfluorotoluene which were external
standards.
Var. = statistical variance.
S.D. = standard deviation.
62
-------
approach, these RMR's were selected for reporting. The RMR factors for
several other compounds representing ketones, aldehydes, thiophenes, ethers,
amines, anilines, acids, etc. were determined for those compounds which
were commercially available and an "average RMR" value for each chemical
class was used for estimating the concentrations of compounds appearing in
the energy samples for which authentic standards were not available.
Table 8 presents selected examples of RMR factors for several compounds
based upon fragment ions. The RMR factors were determined for two ions and
utilizing mass fragmentography, the concentration of each compound in the
unknown sample was determined. In a similar manner to the RMR calculated
based upon the total ion current monitor, the RMR factors for selected
fragment ions were determined for those authentic compounds which were
commercially available and in those cases where authentic compounds were
not available, an "average RMR" value was calculated for each homologous
series. The use of mass fragmentography was necessary when inadequate
resolution was observed in the total ion current monitor.
Table 8. EXAMPLES OF RELATIVE MOLAR RESPONSE FACTORS FOR SEVERAL
COMPOUNDS BASED UPON SELECTED FRAGMENT IONS3
Compound
Toluene
o-Xylene
Anisole
Acetophenone
Naphthalene
2-Ethylfuran
2-Pentanone
MW
92
106
108
120
128
96
86
m/e
91
105
108
105
128
81
43
1st Ion
(I)
(100)
(27)
(100)
(100)
(100)
(100)
(100)
RMR
2.
3.
1.
1.
1.
2.
1.
37
46
19
97
92
35
98
m/e
64
51
65
120
51
-
57
2nd Ion
(I)
(13)
(10)
(76)
(29)
(12)
(26)
RMR
0
0
1
1
0
0
.66
.39
.30
.27
.18
-
.14
SRMR values were calculated relative to m/e 186 (100) for the external
standard, hexafluorobenzene.
Mass Fragmentography
The technique of mass fragmentography was utilized for the quanti-
fication of volatile and semi-volatile organics when inadequate resolution
63
-------
existed for the total ion current monitor. The use of ion chromatograms
permitted the attainment of additional specificity (and better resolution)
for the individual components in each of the samples. Even though high
resolution glass capillary columns (SCOT's) were used for effecting the
resolution of the components in each mixture, the separation efficiency of
the capillaries was inadequate for obtaining baseline resolution for every
constituent in the sample. Since it was impractical to utilize very high
resolution capillaries, £.g. wall-coated open tubular (capacity too low) or
very long SCOT capillaries, we chose the mass fragmentographic technique to
obtain sufficient resolution for quantification of the individual species.
Figures 6-12 depict mass fragmentograms for several selected ions for
the volatile organics in product water (-13L) from an in situ coal gasifica-
tion experiment. In Fig. 6 peaks labeled l(m/e 67), 2 and 3 (m/e 114), 4
(m/e 71) and 1 (m/e 186) represent the compounds pyrrole, n-octane, 2-
heptanone and perfluorobenzene, respectively. Figure 7 presents the ion
chromatograms for m/e 106 and 104 for the same sample. Where peaks 1-3
represent ethylbenzene, p_- and c5-xylene, respectively. Figure 8 represents
ion chromatograms for m/e 121, 94, 95 and 120. Peaks 1-7 are isopropylben-
zene, n-propylbenzene, m~,p_-, and o-ethylbenzene; and 1,2,4-and 1,2,3-trimethyl-
benzenes, respectively. Figure 9 presents the ion chromatogram for m/e 85
which represents aliphatic hydrocarbons. Ion chromatograms for m/e 186 and
105 are given in Fig. 10 and the peaks 1-3 represent the xylenes and
ethylbenzenes. Figure 11 presents the ion chromatograms for m/e 186 and
131 and the peaks 1-5 represent methylbenzofuran and several dimethylindans.
Ion chromatograms for m/e 186, 156, 152 are in Fig. 12 and the peaks 1-6
are ethylnaphthalene and several dimethylnaphthalene isomers. Additional
ion chromatograms were obtained for this sample which allowed the quantita-
tion of essentially all of the components that were identified in the
sample.
This approach was used throughout the research program for the quantifi-
cation of organic volatile and semi-volatile compounds in energy samples.
Qualitative Analysis by GC/FTIR/COMP
Samples of the acid fraction from product water obtained during in
situ coal gasification were analyzed by gc/ftir/comp to confirm and supple-
ment identifications using gc/ms/comp. Samples were previously extracted
64
-------
Ln
600 b£n 700 750 POO P 5 0 900 950 1000 1050 1JOO 1 1 F 0 3EOO
Figure 6. Mass fragmentogram (m/e 236, 186, 71, 114, 67) of volatile organics in product
water (-13L) from in situ coal gasification (LERC, ERDA).
-------
,„,„,.-,
n
a n P (i & J
1 « .
-J
j
V
i1
II
LJUJ
'l /V
-
\
lk.JL JL* ,JU.Jl^
L/V-0^ W->-A^~1^V--^T-T~r— t
[••)•> t«r
Figure 7. Mass fragmentogram (m/e 186, 106, 107) of volatile organics in product water
(-13L) from in situ coal gasification (LERC, ERDA).
-------
.LJ
\J
Figure 8. Mass fragmentograms (m/e 186, 121, 94, 95, 120) of volatile organics in
product water (-13L) from in situ coal gasification (LERC, ERDA).
-------
00
•'"' 'I"" I ' I '!• I i" I v ) .-I IT
1000 10SO 1100
Figure 9. Mass fragmentograms (m/e 186, 85) for volatile organics in product water
(-13L) from in situ coal gasification (LERC, ERDA).
-------
700 750 800 650 900 950 1000 1050 1100 1150 1 c 0
Figure 10. Mass fragmentograms (m/e 186, 105) of volatile organics in product water
(-13L) from in situ coal gasification (LERC, ERDA).
-------
V/VMA.,
• '• T"1' i r~r~,—T'r7™:"|—i T'Ty-r", •'''*!• T i''~i ' '(' -i—r-i"T"iTP1"T"T*1'*1'"r"1 T"1" T'"i""l ' "|" 1' "1*T ''T1 "l"ur"-| i" |"i"|" ri^—r-c1"!1" [ i
,i)0 tSO 700 750 800 850 qOO 950
r-r.!-,,,.,.„! ,,, fmt,,r,,i.f, i ,|,1..,.,.) „„-,-.,...,_,_,-..,-.|,.,|-).L,,T
1000 1050 1100
1150 1200
Figure 11. Mass fragmentograms (m/e 186, 131) of volatile organics in product water
(-13L) from jin situ coal gasification (LERC, ERDA).
-------
800 650
1000 1050 1100 1150 1&OP
Figure 12. Mass fragmentograms (m/e 186, 156, 152) of volatile organics in product water
(-13L) from in situ coal gasification (LERC, ERDA).
-------
using Freon-TF^and methylated using diazomethane. Two samples of product
water from an in situ coal gasification process will be discussed here to
exemplify the use of the gc/ftir/comp technique in this research program.
Figure 13 presents the total ion current chromatogram obtained by gc/ms of
the semi-volatile compounds in an acid fraction from product water (-8L)
from in situ coal gasification (LERC, ERDA). This sample was analyzed by
gc/ms as described in Section 6, utilizing a 60 m Carbowax 20M glass capil-
lary column. Most of the compounds in this sample were identified, although
the identification of peaks 1, 6, 10, 17 and 20 as methyl esters of ali-
phatic carboxylic acids was only tentative and the positions of aromatic
substituents on some other compounds could not be established.
This sample was also analyzed on a Digilab FTS-20 gc/ir equipped with
a Hewlett-Packard 5700 series chromatograph. The scan rates were 0.5 sec/
_T
spectrum at a resolution of 8 cm A 2.5 mm i.d. x 180 cm column packed
with 10% Carbowax 20M on Chromosorb W was used for separating the mixture.
The FID chromatogram obtained on this instrument (Fig. 14) illustrates the
need for capillary columns to completely resolve samples of this nature.
For instance, the peaks labeled 38 and 39 on the capillary chromatogram
(Fig. 13) are a homogeneous peak (Nos. 22/23, Fig. 14) in the packed
column FID chromatogram. The corresponding peaks 42-46 in the capillary
chromatogram are unresolved in Fig. 14.
The IR spectra for peaks 6, 8, 10, 12 and 14 in Fig. 14 confirm the
identity of these compounds as methyl esters of carboxylic acids. The
compounds have been identified as methyl benzoate (peak 6, Fig. 15),
methyl hexanoate (peak 8, Fig. 18), methyl heptanoate (peak 10, Fig. 17),
methyl octanoate (peak 12, Fig. 18) and methyl nonanoate (peak 14, Fig. 19)
and compare well with the standard spectra. Analysis of the mixture by
gc/ms could not provide unequivocal data about the identity of these compounds
The IR spectra were obtained on ~60-180 ng of each component in the sample.
Their concentrations were subsequently determined by gc/ms/comp.
Figure 20 is an IR spectrum of phenol which had been previously identi-
fied by gc/ms. Several features are worth noting. The broad peak from
3000-3500 cm due to molecular hydrogen bonding observed in condensed
(43)
phase spectra is absent in this gas phase spectrum. The two peaks
72
-------
OJ
Mass Spectrum No.
Figure 13. Total ion current chromatogram obtained by GC-MS of semi-volatile organics
in acid fraction of product water (-8L) in situ coal gasification (LERC, ERDA)
-------
u.
O
a:
LJJ
100
90
80
70
60
50
40
30
20
10
Col.-10% Carbowax 20H
2.5 mm i.d. x 1.8 tn
25°-230°, 8°c/min
• x duraLion of acquisition
period of interferograms
_L
J_
10
12 14
TIME (MIN)
16
18
20
22
24
26
Figure 14. Gas-liquid chromatogram (flame detection) of acid fraction from product water (-8L)
obtained during in situ coal gasification.
-------
100.6 r
99.1 I . . I . . i . I . i i , I .
3,800
3,000
2,000
1,000
600
WAVENUMBER (cm-1)
Figure 15. On-the-fly FT-IR spectrum of peak No. 6 (ca. 60 ng) in Fig. 14.
100,5
98.0
3,800
3,000
2,000
WAVENUMBER (cm'1)
1,000
600
Figure 16. On-the-fly FT-IR spectrum of peak No. 8 (ca. 125 ng) in Fig. 14
75
-------
100.4
97.6
3,800
3,000
2,000
1,000
600
WAVENUMBER (cm'1)
Figure 17. On-the-fly FT-IR spectrum of peak No. 10 (ca. 175 ng) in Fig. 14.
100.0
97.4
3,800
3,000
2,000
WAVENUMBER (cm'1)
1,000 600
Figure 18. On-the-fly FT-IR spectrum of peak No. 12 (ca. 180 ng) in Fig. 14.
76
-------
observed between 1175-1300 cm are the symmetric and asymmetric CO stretch-
ing bands. In condensed phase spectra, this is a broad single band.
Peak 22 had been identified by gc/ms as a dimethylphenol isomer. The
gc/ftir spectrum (Fig. 21) confirmed this as a phenol. From the pattern of
the overtone in combination bands between 1652-2000 cm , it may tentati-
vely be identified as 3,5-dimethylphenol. The standard spectrum for 3,5-
(43)
dimethylphenol differs from this spectrum at several points, notably
the presence of a strong absorbance band at 1310 cm and several bands
between 1600-1000 cm which do not appear in the unknown spectrum. This
standard spectrum, however, matched that of the unknown more closely than
the spectrum of the other dimethylphenol isomers. Since the standard
spectra were run in liquid phase, positive identification could not be made
without a gas phase standard spectrum.
Peak 23 (Figure 14) is a cresol isomer according to the gc/ms results.
However, the overlap from peak 22 obscured the IR spectrum (Figure 22).
With spectral subtraction, this compound could probably be resolved and
identified.
Figure 23 illustrates the power of spectral subtraction and smoothing
for an extremely weak spectrum. This compound was tentatively identified
ipp<
-1
by gc/ms as methyl-m-toluate and the strong absorbance at 1280 cm supports
this assignment. The absorbances at 1440, 1290, 1200, 1100 and 750 cm
(44)
match those of the standard spectrum for methyl-m-toluate. The amount
of this compound was eventually estimated to be ~30 ng/|j£ injected into the
gc/ms.
Table 9 summarizes the semi-volatile organic acids which were identified
and confirmed by gc/ftir/comp techniques. The general procedures described
above were utilized for confirming the presence of some of the organic
constituents present in liquid effluents from energy-related processes.
Another example of a sample analyzed by gc/ms and gc/ftir using a
Nicolet 7199 instrument is presented here. The sample was chromatographed
using a Varian 3700 gas chromatograph equipped with 180 cm x 0.2 cm i.d.
stainless steel column packed with 10% Carbowax 20M with a helium flow rate
3
of 30 cm /min. The temperature was programmed from 70-230° at 8°/min. The
infrared spectra were collected at 8 cm resolution at a rate of 2 scans/sec
with every 3 co-added. The light pipe used was a 28 cm x 0.2 cm i.d. (0.8
3
cm /volume) solid gold prototype.
77
-------
99.9
98.0
3,800
3,000
2,000
1,000 600
WAVENUMBER (cm"
Figure 19. On-th,e-fly FT-IR spectrum of peak No. 14 (ca. 110 ng) in Fig. 14
100
78
PEAK NO. 21
UNSMOOTHED
I I i i
3,800
i i t I i i
3,000
2,000
1,000 600
WAVENUMBER (cm"1)
Figure 20. On-the-fly FT-IR spectrum of peak No. 21 (>3 yg) in Fig. 14.
78
-------
99.2
95.5
3,800
3,000
2,000
WAVENUMBER (cm"1)
1,000
600
Figure 21. On-the-fly FT-IR spectrum of peak No. 22 (ca. 80 ng) in Fig. 14.
100.0
97.6
3.800
3,000 2,000
WAVENUMBER (cm'1)
1,000 600
Figure 22. On-the-fly FT-IR spectrum of peak no. 23 (ca. 75 ng) in Fig. 14.
79
-------
100.36
2
O
CO
GO
99,87
PEAK NO, 18 MINUS
BKG
SMOOTHED
I i i
J I
1,700
I
700
1,000
WAVENUMBER (cm'1)
Figure 23. On-the-fly FT-rlR spectrum of peak No. 18 (ca. 30 ng) in Fig. 14
80
-------
Table 9. SEMI-VOLATILE ORGANIC ACIDS IN PRODUCT WATER (-8L) FROM
IN SITU COAL GASIFICATION (LERC, ERDA)a
oo
Chroma to-
graphic
Peak No.
1
1A
2
3
3A
4
5
6
8
9
10
14
17
17A
18
20
21
22
23
Compound
methyl butyrate (tent.)
methyl pentanoate
ethyl butyrate
C.-H, n00 (isomer)
_> 1U z
methyl-a-methyl butyrate
C H ,0 (isomer)
2-methyl-l, 3-dioxane (tent.)
methyl hexanoate
C ILJD (isomer)
2-methyl-2-propyl-l , 3-dioxalane
methyl heptanoate
anisole
methyl octanoate
C0H.. 00 isomer
o -LZ
C H 0 isomer and CnH.. ,0 isomer
o iz y ±o
methyl nonanoate
trans-decalin
cis-decalin
methyl decanoate
Chromato-
graphic
Peak No.
26
27
28
31
33
34
35
36
37
38
39
40
41
41A
41B
42
43
44
45
Compound
5-methyl-3-hexanol
2 , 2-dimethyl-3-pentanol
heptanol isomer
methyl-m-toluate
dimethyl methyl benzoate isomer
dimethyl methyl benzoate isomer
dimethyl methyl benzoate isomer
phenol
dimethyl phenol isomer
dimethyl phenol isomer
o-cresol
isopropyl phenol isomer
C_-alkyl phenol isomer
ethyl phenol and cresol isomer
C -alkyl phenol isomer
xylenol
cresol and C -alkyl phenol
dimethyl phenol
ethyl phenol isomer
(continued)
-------
Table 9 (cont'd)
Chromato-
graphic
Peak No.
24
25
Compound
phenyl acetate
methyl benzoate
Chromato-
graphic
Peak No.
45A
46
Compound
ethyl phenol isomer
dimethyl phenol
isomer
Sample extract treated with diazomethane.
00
K>
-------
Figure 24 is the "chemigram" obtained in real time for this run. The
lower trace is the integrated absorbance from 700-3600 cm within an
absorbance range from -0.002- +0.014. The upper trace is the carbonyl
region only (1700-1750 cm ) to selectively detect the carbonyl-containing
compounds expected in the sample. The selectivity is illustrated with the
-~~.~~~ ^ ^ „ „ ) peak at 100 sec which absorbs strongly in the lower
trace but presented only a small response in the upper trace. Conversely,
the carbonyl containing compounds gave strong peaks at 195, 240, 300 and 335
sec in the upper chemigram. Figures 25-28 are spectra obtained from this
analysis. The file number on each spectrum corresponds to the appropriate
number along the X axis. In cases where more than one number is listed
(e.g., Files 31-35), the spectrum files were co-added. The strong absorbance
at 2350 cm in each spectrum is an interference due to the unpurged system.
Figures 25-28 have been identified as methyl hexanoate, methyl heptanoate,
methyl octanoate and methyl nonanoate, respectively. Figure 29 was identified
as phenol.
Elemental Composition of Liquid and Solid Effluents
Appendix B presents the elemental constituents in liquid and solid
effluents which were detected and quantified by spark-source mass spectro-
metry and flameless atomic absorption spectrophotometry. The results for
the samples listed in Table 3 of Section 5 are provided in Tables B1-B48
(Appendix B).
Organic Composition of Liquid and Solid Effluents
Appendices C and D present the identity and quantity of volatile and
semi-volatile organic substances in liquid and solid effluents from in situ
oil-shale processing, in situ coal gasification, and low btu coal gasifica-
tion.
83
-------
.OH —
-i
1 730 1750 -OOd
.002
.002 .Ol-i
.010 "i
700 3600
v
"
.003 -j\
.003 -^r-
>iS 60 /I-', 90 it's "lI'O "~?J5
2'0 285 300 315 330 3>| 5 360 375 390
TIME. SECONDS
565 600 6 i"
~I5o" V,*5~"*"fV
o5o7G5 7275o7657aQ
So"
635 BiO 5 810 005 900
Figure 24. "Chemigram" (ir detection) of acid fraction from product
water obtained during in situ coal gasification.
84
-------
00
Ln
n
n
r>
o
n
n
n
n
ID
NICOLET 7199 FT-IR
TILES 29-30, SMOOTHED
^ n
T I,)
n". .
i- to
CJ)
o
n
03
O)
n
U)
n
o
^300 31 bo 2900 27bo 2500 2300 2100 1900 1700 1500 labo 11 bo
WnVENUMBERS
900
"vbo
Figure 25. On-the-fly FT-IR spectrum of methyl hexanoate (Files 20-30 of
chemigram co-added and smoothed1 i
-------
NILULlil
n
ui
n
o
o
o
a
a
en
01
n
a
il
r-
Ji
n
n
r~
ui
n
in
uJ
Ui
n
n
PT-IR
FILES 31-35, SMOTHED
%DO 3lbD 29DQ 27UD 25DQ 23DD 2100
igbn
15'no iabo
?h o
Figure 26. On-the-fly FT-IR spectrum of methyl heptanoate (Files 31-35 of
chemigram co-added and smoothed).
-------
NICOLET 7199 FT-IR
00
n
o
n
o
n
o
n
n
n
o
^300aibo zlJbo2?boisbo
2100 1 ilo
WnVENUMDER
l?bo 1500 1300 1100
900
Figure 27. On-the-fly FT-IR spectrum of methyl octanoate (Files 41-47 of
chemigram co-added).
-------
NICGLET 7199 FT-IR
00
00
"1
n
I")
D
CP
LP
O
n
s ">
T J1
it
'" O
n
n
n
01
cu
n
n
n
n
f\
10 ,
•^300
2900
FILES 52-57, UNSMOOTHEO
23bo 21 bo rinoi?bo isbo labo i ibo gbo ?bo
Figure 28. On-the-fly FT-IR spectrum of methyl nonanoate (Files 52-57 of
chemigram co-added).
-------
00
n
a
n
n
n
o
n
en
o
n
n
n
n
n
NICOLET 7199 FT-IR
FILE 197 UNSMOOTHED
33no aibo 29002?bo 2500 2300 2100 1900
WflVENUMBERS
17DQ 15DQ 13DD 1100
900
TOO
Figure 29. On-the-fly FT-IR spectrum of phenol (File 197 of chemigram).
-------
REFERENCES
1. Ayer, F. A., Symposium Proceedings: Environmental Aspects of Fuel Con-
version Technology (May 1974, St. Louis, Missouri). Publication No.
EPA-650/2-74-118, October 1974.
2. Ward, J. C., G. A. Margheim and G. 0. C. Lb'F. Water Pollution Potential
of Spent Oil Shale Residues, NTIS PB-206808, December, 1971.
3. Hubbard, A. B., Div. of Fuel Chem., ACS, 15:21-24 (1971).
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tion". Report No. C-73671, December 1971, 121 pp.
5. Gibb, Sir Alexander and Partners. The Underground Gasification of Coal,
Sir Issac Pitman and Sons, Ltd., London (1964).
6. Dowd, J. J. , J. L. Elder, J. P. Cohen. "Experiment in Underground
Gasification of Coal, Gorgas, AL." BuMines RI4164, August, 1947, 62 pp.
7. Elder, J. L., M. H. Fies, H. G. Graham, R. C. Montgomery, L. D.
Schmidt and E. T. Wilkins. "The Second Underground Gasification Experi-
ment at Gorgas, AL". BuMines RI 4808, October 1951, 72 pp.
8. Capp, J. P., J. L. Elder, C. D. Pears, R. W. Lowe, K. D. Plants and
M. H. Fies, "Underground Gasification of Coal—Hydraulic Fracturing as
Method of Preparing a Coalbed." BuMines RI 5666, 1960, 50 pp.
9. Capp, J. P., and K. D. Plants. "Underground Gasification of Coal with
Oxygen-Enriched Air". BuMines RI 6042, 1962, 14 pp.
10. Raimondi, P., P, L. Terwilliger and L. A. Wilson, Jr. "A Field Test
of Underground Combustion of Coal", SPE 4713, presented at the
Eastern Regional Meeting of the SPE of AIME, Pittsburgh, Pennsylvania,
Nov. 7-9, 1973. 11 pp.
11. Campbell, G. G., C. F. Brandenburg and R. M. Boyd. "Preliminary
Evaluation of Underground Coal Gasification at Hanna, Wyoming," BuMines
TPR 82, Oct. 1974, 14 pp.
90
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12. Schrider, L. A., J. W. Jennings, C. F. Brandenburg and D. D. Fischer.
"An Underground Coal Gasification Experiment, Hanna, Wyoming", SPE 4993,
presented at the SPE Fall Meeting of AIME, Houston, TX, Oct. 6-9, 1974,
25 pp.
13. Brandenburg, C. F. , D. D. Fischer, G. G. Campbell, R. M. Boyd and
J. K. Eastlack. "The Underground Gasification of Subbituminous Coal",
presented at the Div. of Fuel Chem., Am. Chem. Soc. National Spring
Meeting, Philadelphia, PA, April, 1975, 11 pp.
14. Stephens, D. R., F. 0. Beane and R. W. Hill. "LLL In-Situ Coal Gasifi-
cation Program", Preprint UCRL-78308, Aug., 1976.
15. Campbell, J. H. and H. Washington. "Preliminary Laboratory and
Modeling Studies on the Environmental Impact of "In-Situ" Coal Gasifi-
cation", Preprint UCRL-78303, July, 1976.
16. Meade, W. "The Control of Gas and Liquid Effluents During Hoe Cree
Experiment #1", UCID-16984, December, 1975.
17. Schrider, L. A. and J. W. Jennings. "An Underground Coal Gasification
Experiment, Hanna, Wyoming", Soc. Pet. Eng. of AIME, No. SPE-4993,
1974, 14 pp.
18. Brandenburg, C. F., R. P. Reed, R. M. Boyd, D. A. Northrop and J. W.
Jennings. "Interpretation of Chemical and Physical Measurements from
an In-Situ Coal Gasification Experiment", Soc. Pet. Eng. of AIME, No.
5654, 1975, 12 pp.
19. Kubasik, N. P-, H. E. Sine and M. T. Volosin, Clin. Chem., 18, 1326
(1972).
20. Kessler, T., A. G. Sharkey, Jr., and R. A. Friedel, Spark Source
Spectrometer Investigation of Coal Particles and Coal Ash, Bureau of
Mines, Technical Progress Report 42 (1971).
21. Ruch, R. R., H. J. Gluskoter and N. F. Shimp, Occurrence and Distri-
bution of Potentially Volatile Trace Elements in Coal: A Final Report:
Illinois Geological Survey Environmental Geology Note 72 (1974).
22. Harstein, A. M., R. W. Freedman and D. W. Platter, Anal. Chem., 45,
611 (1973).
23. "AEI Technical Sheet, Stainless Steel Moulding Die", AEI Tech. Infor-
mation Sheet, A-2014.
91
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24. Mcrea, J. M., Applied Spectroscopy, 25, 246 (1971).
25. Paulsen, P. J., Robert Alvarex and Daniel E. Kelleher, Spectrochemical
Acta, 24B, 535 (1969).
26. Owens, E. B. and N. A. Giardino, Anal. Chem. , 35_, 1172 (1973).
27. "Quantitative Determination of Impurities by Means of Spark Source
Mass Spectrometer", N. W. H. Addink, Mass Spectrometry, Edited by
R. I. Reed, Academic Press, London, 1965.
28. "Mass Spectrometric Methods", Richard E. Honig, Trace Analysis of
Semiconductor Materials, p. 169, Pergamon Press, New York, 1964.
29. Nicholls, G. D., A. L. Graham, Elizabeth Williams and Margaret Wood,
Anal. Chem., 39, 584 (1967).
30. Bellar, T. A., and J. J. Lichtenberg. "The Determination of Volatile
Organic Compounds at the (Jg/£ Level in Water by Gas Chromatograph",
EPA Rept. No. 670/4-74-009, November, 1974.
31. Zlatkis, A., H. A. Lichenstein and A. Tishbee, Chromatographia, 6, 67
(1973).
32. Dowty, B., D. Carlisle, J. L. Laseter and J. Storer, Science, 187, 75
(1975).
33. Pellizzari, E. D., EPA Quarterly No. 2, Contract No. 68-03-2368,
July, 1976.
34. Pellizzari, E. D., J. E. Bunch, B. H. Carpenter and E. Sawicki, Environ.
Sci. Tech., 9, 552 (1975).
35. Pellizzari, E. D., B. H. Carpenter, J. E. Bunch and E. Sawicki, Environ.
Sci. Tech., 9, 556 (1975).
36. Pellizzari, E. D. "Development of Method for Carcinogenic Vapor
Analysis in Ambient Atmospheres". Publication No. EPA-650/2-74-121,
Contract No. 68-02-1228, July, 1974.
37. Pellizzari, E. D. "Development of Analytical Techniques for Measuring
Ambient Carcinogenic Vapors". Publication No. EPA-600/2-75-076,
Contract No. 68-02-1228, 187 pp., November, 1975.
38. Pellizzari, E. D. "The Measurement of Carcinogenic Vapors in Ambient
Atmospheres". Publication No. EPA-600/7-77-055, Contract No. 68-02-
1228, 288 pp., June, 1977.
92
-------
39. Pellizzari, E. D. "Analysis of Organic Air Pollutants by Gas ChromatO'
graphy and Mass Spectroscopy". Publication No. EPA-600/2-77-100,
June, 1977.
40. Fales, H. M., T. M. Jaouni and J. F. Babashale, Anal. Chem., 45, 2302
(1973).
41. Eight Peak Index of Mass Spectra. Vol. I (Tables 1 and 2) and II
(Table 3), Mass Spectrometry Data Centre, AWRE, Aldermaston, Reading,
RG74PR, UK, 1970.
42. Pellizzari, E. D. "Sampling and Analysis for Selected Toxic Sub-
stances", EPA Contract No. 68-01-1978, Quarterly Rpt. No. 12, 1977,
130 pp.
43. Silverstein, R. M., G. C. Bassler and T. C. Morrill, "Spectrometric
Identification of Organic Compounds, 3rd Ed., John Wiley & Sons, New
York, NY, 1974, 339 pp.
44. Sadtler Research Laboratories, "Catalog of Infrared Spectra",
Philadelphia, PA.
93
-------
APPENDIX A
ABSTRACTS OF TECHNICAL REPORTS AND CURRENT PROJECTS ON
CHARACTERIZATION AND ASSESSMENT OF EFFLUENTS FROM
ENERGY-RELATED PROCESSES
Page
Section I - Oil-Shale Processing 95
Part I: Technical Reports 95
Part II: Current Projects 106
Section II - Coal Gasification and Liquefaction 109
Part I: Technical Reports 109
Part II: Current Projects 175
Section III - Coal-Fired Power Plants 188
Part I: Technical Reports 188
Part II: Current Projects 208
Section IV - Coal Related Pollution 212
Part I: Technical Reports 212
Part II: Current Projects 220
Section V - Oil Refineries 227
Part I: Technical Reports 227
Part II: Current Projects 231
Section VI - Tar Sands 232
Part I: Technical Reports 232
Part II: Current Projects 233
94
-------
Title: Environmental Consideration for Oil-Shale Development
Authors: Nick Conkle, Vernon Ellzey and Keshava Murthy
Performing Organization: Battelle Columbus Laboratory, 505 King
Avenue, Columbus, OH 43201
Sponsoring Agency: EPA, Office of Research and Development, NERC-RTP
Control Systems Laboratory, Research Triangle
Park, NC 27711
Report No./Journal: EPA-650/2-74-099
NTIS/GPO No.: PB-241-942 Type of Report: Final, 1/74-5/74
Abstract
In this report a preliminary literature survey of environmental
considerations is presented which is associated with the development of
the shale oil industry in the United States. Oil-shale deposits,
mining and pretreatment processes, in situ and ex situ retorting,
refuse disposal and produce treatment and usage are reviewed.
This report provides an overall view of the anticipated oil shale
industry and the likely technical and environmental problems to be
encountered. It provides an insight into the technology likely to be
employed in the mining, oil extraction and on site upgrading processes.
However, it does not provide any information with regard to the types of
waste products in liquid and solid effluents from these processes, nor
does it allude to any particular work which has been done in this area.
The report clearly indicates that research and development on component
identification are requried to eliminate the inadequacy in the data base
necessary to evaluate potential environmental problems.
95
-------
Title: Identification of y-Valerolactone in Waste Water from an Oil-
Shale in situ Retort
Author(s): F. R. McDonald
Performing Organization: Laramie Energy Research Center, Laramie, WY
Sponsoring Agency: United States Department of Labor
Report No./Journal: Bureau of Mines Report 7918
NTIS/GPO No.: PB-440-098 Type of Report: Government Publication
Abstract
The compound y-valerolactone was identified in an acid fraction
isolated from waste water which was collected from an in situ oil-shale
retort. Infrared, nuclear magnetic resonance and mass spectrometry was
used for the identification of a fraction collected from a gas chroma-
tograph. In the Laramie Energy Research Center, the research being
conducted is to determine the concentration and identification of the
components associated with the in situ oil-shale retorting.
96
-------
Title: Water Pollution Potential of Spent Oil Shale Residues
Authors: J. C. Ward, G. A. Margheim and G. 0. Lof
Performing Organization: Department of Civil Engineering, Colorado
State University, Ft. Collins, CO 80521
Sponsoring Agency: Water Pollution Control Research Series, Water
Quality Office, Environmental Protection Agency,
Washington, DC 20460
Report No./Journal EPA WQO Grant No. 14030EDB
NTIS/GPO No.: Unknown Type of Report: Final Government
Technical, December,
1971
Abstract
Physical properties including porosity, permeability, particle size
distribution and intensity of spent shale from three different retorting
operations are discussed in this report. Experiments were conducted on
each of the spent shales by perparing slurries and determining leachable
dissolved solids. Also percolation experiments were conducted on the
TOSCO spent shale and the quantities of leachable dissolved solids were
determined. The concentrations of ionic constituents (Al, Ba, Br, Cl,
CO Cu, Cr, F, Fe, I, K, Mn, NO , Pb, PO , Zn) were estimated in the
initial leachates from the spend shale. Computer programs were written
to predict equilibrium concentrations in the leachate from the percolation
column. The purpose of the program was to predict the extent of leaching
and erosion of spent shale due to natural rainfall and the determination
of the composition and concentration of natural drainage from spent
shale. The concentrations of ionic species in the runoff from spent
97
-------
shale were correlated with runoff rate, precipitation intensity, flow
depth, slope and water temperature.
98
-------
Title: Toxic Effects on the Aquatic Biota from Coal and Oil Shale
Development
Author(s): R. V. Thurston, Rodney K. Skogerboe and Rosemarie Russo
Performing Organization: Natural Resource Ecology Laboratory,
Colorado State University, Ft. Collins, CO
and Fisheries Bioassay Laboratory, Montana
State University, Bozeman, Montana
Sponsoring Agency: Environmental Protection Agency, Fresh Water
Research Laboratory, Duluth, MN
Report No./Journal: Quarterly Progress Report No. 2, July-September,
1975
NTIS/GPO No.: Unknown Type of Report: Quarterly Report
Abstract
This project has a very broad overall objective which is to provide
information about the effects of pollutants resulting from coal and oil
shale extraction and conversion on the aquatic biota. The general aims
include: (a) the establishment of a chemical data base for evaluating
the potential effect of coal and oil shale extraction on fresh water
resources and ecosystems, (b) the use of biology and chemistry field
studies to assess the nature and extent of effects on aquatic ecosystems
and (c) to determine acute and chronic toxicity in bioaccumulations of
contaminants involved. The research plan will provide chemical analysis
of effluents from coal and oil shale mining sites, energy conversion
sites, and coal gasification operations. Identification of known and
potential toxicants resulting from these mining and conversion processes
will be performed by field and laboratory bioasssay methods.
99
-------
During this quarterly period, some information was provided on the
analytical methodology and analysis of liquid and solid effluents from
the various processes under consideration. Within this report, a sec-
tion discusses the charcteristics of elemental pollutants derived from
coal combustion anc conversion. The objective of this phase of the
program is to identify and characterize species which are released into
the environment which are known or suspected to be harmful to aquatic
biota. The specific objectives are also delineated. These are: (a)
the identification of individual compounds and compound classes which
are likely to exhibit toxicity; (b) the determination of physical and
chemical properties of individual pollutants and pollutant classes; (c)
the estimation of the probable amounts of individual pollutants and
pollutant classes likely to be released into the environment in con-
junction with the full scale coal conversion and/or combustion opera-
tion, and (d) the determination of the nature of transformations of
primary pollutants.
Fugitive emissions from each source will be fractionated for bio-
assay and toxicity studies, and fractions which are shown to be toxic
will be studied in detail in order to identify and characterize the
toxic entity or entities. The approach to be taken is to identify those
species of substances which are already known to be toxic and, in those
cases where the existence of toxic materials is not reasonbly esta-
blished, bioassays will be conducted prior to their characterization.
It is apparent that the program does not intend to identify all the
constituents in these samples, but primarily devote its energies to
those which are deemed hazardous to the aquatic biota.
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Effluents to be studied in this program are: (1) aqueous effluents
from conventional combustion and conversion processes of coal (gasifi-
cation and liquefaction); (2) leachates from solid waste disposal (e.g.,
waste coal, char derived from conversion processes, bottom ash from coal
combustion, fly ash collected from coal combustion, and airborne par-
ticles); and (4) tars and product oils derived from conversion pro-
cesses .
This report provides preliminary information on method development
for the extraction of organic species associated with the various types
of effluents mentioned above. The analytical methods currently being
developed are clearly going to be used for the extraction and purification
of polycyclic organic species associated with these matrices. There is
no indication in this report that the volatile and semi-volatile
compounds will be examined. Gas chromatography and mass spectrometry
will be used for analysis of organic compounds. Packed columns are
contemplated for the separation of polynuclear compounds, while glass
capillary columns are proposed for separation of organic species recovered
from steam condensates of aqueous effluents. A second approach which is
discussed is the determination of organics by liquid chromatography.
The analysis will include sequential gas charomatography/mass spectrometry
followed by identification via mass spectral library search facilities.
The researchers are in the process of developing a direct gc capillary
column interface to the mass spectrometer.
The elemental constituents in waste effluents will also be analyzed.
The techniques will inqlude spark source mass spectrometry, neutron
activation analysis, gamma-ray excited energy dispersive x-ray
101
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floresence, DC arc emission spectrometry, atomic absorption spectrometry
and differential pulse anodic stripping yoltametry. The major technique
for this study will be spark source mass spectrometry and DC arc emission
spectrometry.
In summary, this ongoing program proposes to study the organic and
elemental constituents associated with the solid and liquid effluents
from several processes. The study is an extensive in-depth evaluation,
characterization and quantitation of the composition of constituents in
these various matrices associated with the energy-related processes.
Although the techniques are rather sophisticated for analysis, the
methodology for recovering the extremely volatile and semi-volatile
compounds has not been developed and if effort is expended in this area
it would be sometime before it could be applied. The study appears to
emphasize the larger molecules associated with these effluents (par-
ticularly the polynuclear aromatic compounds).
102
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Title: The Disposal and Environmental Effects of Carbonaceous Solid
Wastes from Commercial Oil-Shale Operations
Author(s): Josef J. Schmidt-Collerus
Performing Organization: University of Denver, Denver Research
Institute, Denver, CO 80210
Sponsoring Agency: National Science Foundation, Division of
Environmental Systems and Resources, Washington,
DC 20550
Report No./Journal: NSF-RA-E-74-004
NTIS/GPO No.: PB-231-793 Type of Report: First Annual Report,
January, 1974
Abstract
This report is divided into four general sections. The first part
covers background and problems relating to the various parts of the
projected research program and discusses summaries of the physiography,
geology, constitution of oil-shale and technology of retorting. The
second section deals specifically with the NSF (RAND) research program
and its various aspects. The third part discusses the experimental data
obtained on the program and some preliminary conclusions. Finally the
fourth part presents a summary statement of the objectives of the program
which is presently under investigation and some of the projected objectives
of the extended research effort.
A considerable effort in this program is devoted to the sampling
and sample preparation of spent carbonaceous shale, soil vegetation,
water, air as well as the extraction and concentration procedures for
each matrix. The author indicates that much of the published literature
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on methods and procedures for polynuclear compounds does not translate
to the extracts generated in this program. Much of the effort is
devoted to the analysis of polynuclear compounds present in spent shale
as well as soil, plant and water samples. The techniques most commonly
used are those which require rather large amounts of organic materials,
e^£., thin-layer chromatography, ultraviolet spectroscopy, infrared
spectroscopy and high pressure liquid chromatography. The techniques of
gas chromatography/mass spectrometry are discussed; however, the report
implies that the particular instrumentation utilized in this program
requires rather large quantities of organic compounds for analysis
(£.£., micrograms).
It is apparent that techniques for the analysis of volatile and
semi-volatile compounds have not been devised, nor yet addressed (from
private communications with the Principal Investigator it is his inten-
tion to address this area). Many of the techniques which are being
utilized are not appplicable to these classes of compounds (e.g., in-
frared, fluorescence, hplc, thin-layer, etc.). The very nature of the
compounds, ^.e., their volatility and the low levels encountered, pre-
cludes the use of these techniques.
104
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Title: Chemical-Biological Characterization of Coal Conversion Liquids
Authors: B. R. Clark, I. B. Reuben; C. H. Hoe; and M. R. Guerin
Performing Organization: Oak Ridge National Laboratory; Oak Ridge, TN
37820
Sponsoring Agency: U. S. Energy Research and Development Administration
and the Environmental Protection Agency
st
Report No./Journal: Presentation at the 81 national meeting of the
American Institute of Chemical Engineers:
Kansas City, Missouri
NTIS/GPO No.: None Type of Report: Abstract
April, 1976
Abstract
Product liquids and organic concentrates obtained from aqueous
effluents were chemically fractionated and analyzed chromatographically.
The fractions were subjected to biological testing to determine their
toxic and mutagenic potentials. Those fractions found to be active were
further analyzed in order to focus on specific compounds which may
produce the biological activity. Analytical techniques included Gas
Chromtography with sulphur and nitrogen selective detectors. Chemical
identifications were made from chromatographic and GC/MS data. Some
mutagenicity test results from various fractions of coal product oil are
presented.
105
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Title of Project: Sorption of Residual Organic Substances in Retort
Waters by Spent Oil Shale Residues
Principal Investigator: J. A. Leenheer
Specialty: Water Resources Division
Performing Agency: U. S. Dept. of Interior, Geological Survey.
Denver, CO 80225
Supporting Agency: U. S. Dept. of Interior, Geological Survey, Water
Resources Division
Agency's Number(s): CR-00-181
Project Period: 7/74 - 6/75 Funds: FY75 $40,000
Summary
This research program proposes to examine organic solutes in natural
surface and ground water in regions of oil-shale and coal development
and in retort waters with respect to elemental composition, compound
class and physical chemical properties. One of the major objectives
will be to develop an organic water quality analytical program which
delineates the background concentrations of dissolved and sediment
organic materials for surface and ground water in regions of oil-shale
and coal development. The overall objective is to determine the capacity
of spent oil-shale residues to adsorb and immobilize residual organic
substances in retort waters.
The individual species of organics selected for study which will be
associated with the surface and ground water in the regions of oil-shale
and coal development were not delineated.
106
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Title of Project: Characterization of Contaminants in Oil Shale
Residues and the Potential for their Management
to Meet Environmental Quality Standards
Principal Investigator: J. J. Schmidt-Collerus
Specialty: Chemistry
Performing Agency: Denver Research Institute, University Park,
Denver, CO 80210
Supporting Agency: U. S. National Science Foundation, Division of
Advanced Energy Research and Technology
Agency's Number(s): AEN75-00175-A01
Project Period: 7/75 - 6/76 Funds: FY76 - $75,000
Summary
This research program is directed towards providing information
needed for mangement of residual spend shale to minimize environmental
impact. The specific objectives of the program include: (1) a deter-
mination of the amount and kind of organic components in carbonaceous
spent shale and in the process water from retorting operations; (2) the
isolation and identification of compounds that are known or suspected to
have blastomogenic activity; (3) an investigation of the changes that
compounds may undergo in large storage sites, and an investigation of
the impact on the environmental quality. This will involve studies on
solubilization an leaching by ground and run-off water, volatilization
of potential air pollutants, identification of POM present in airborne
carbonaceous particulate matter from oil shale processing operations and
the effect of possible auto-oxidation on volatilization of organic
compounds from waste and their transfer into air.
107
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Title of Project: .In Situ Oil Recovery from Tar Sand Deposits/
Petroleum and Natural Gas
principal Investigator: C. S. Land and L. G. Marchant
Speciality: Unknown
Performing Agency: U. S. ERDA Laramie Research Center, Laramie,
Wyoming and Sohio Petroleum Company
Supporting Agency: U. S. ERDA; Division of Oil, Gas and Shale
Technology, Washington, DC
Agency's Number(s): Unknown
Project Period: 7/1/70 - 9/30/80 Funds: FY73, $146,000
FY74, $165,000
FY75, $725,000
FY76, $930,000
Summary
The objective of this research program was to develop in situ
methods applicable for recovering oil from tar sand deposits without
excessive environmental costs.
108
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Title: The Documentation, Organization and Prioritization of Synthetic
Fuel Related Pollutants and Effects
Author(s): George E. Weant
Performing Organization: Research Triangle Institute, P. 0. Box 12194,
Research Triangle Park, NC
Sponsoring Agency: U. S. Environmental Protection Agency; Industrial
and Environmental Research Laboratory, Research
Triangle Park, NC
Report No/Journal: July, 1975
NTIS/GPO No.: Unknown Type of Report: Technical (Task Order)
Abstract
The objective of this task order was to provide an extensive litera-
ture survey in order to identify, classify and prioritize pollutants
associated with fuel processes and fuels. The data base which had
identified specific pollutants was obtained from literature reports.
Each pollutant was evaluated according to the degree of toxicity or
biological effect. This report contains a list of pollutants associated
with coal, coking, gasification and liquefaction and oil-shale pro-
cessing. The relative toxicity, physical and chemical data on these
pollutants are presented. Classification is by media discharge, i. e. ,
the pollutants are categorized according to their emission via air,
water or solid from the energy-related process.
This report lists both elemental compounds and organics. Upon
inspection of these data it is apparent that much of the work has been
in coal gasification and liquefaction and that a paucity of data is
available for oil-shale processing.
109
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Title: Mass Spectrometric Analytical Services and Research Activities
to Support Coal Liquid Characterization Research
Authors: Stewart E. Scheppele
Performing Organization: The Oklahoma State University; Department
of Chemistry; Stillwater, OK 74074
Sponsoring Agency: The United States Energy Research and Development
Administration (Contract No. E(34-l)-0020)
Reprot No./Journal: BERC-0020-4
NTIS/GPO No.: Unknown Type of Report: Quarterly
3/9-6/8/76
Abstract
Medium and low resolution, field ionization and high resolution 70-
eV electron impact mass spectral data were obtained for 38 GPC fractions
for an HRI coal-derived liquid by memebers of the separation and characteri-
zation group at the Bartlettsville Energy Research Center. Empirical
formulas were deduced from the high resolution electron impact data. The
field ionization data were acquired for eventual calculation of quantitative
distributions for the HRI coal-derived liquid.
The field ionization mass spectral data obtained for the GPC
fractions from a Synthoil sample are being converted into quantitative
compositional data for this coal-derived liquid. In conjunction with
the sub-committee ASTM D-2, this author analyzed a blend of aromatic
hydrocarbons obtained from 12 crude oils. A paper describing their
investigations of field ionization sensitivities entitled "Determination
of Field Ionization Sensitivities for the Analysis of Coal Derived
Liquids and their Correlation with Low Voltage Electron Impact Sensitivi-
ties" has been submitted to Analytical Chemistry.
110
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Title: Characterization of Coal Liquids Derived from the H Coal Process
Authors: S. A. Holmes; P. W. Woodward, G. P. Sterm, Jr.; J. W. Vogah,
and J. A. Dooley
Performing Organization: Bureau of Mines; Bartlettsville, OK
Sponsoring Agency: U. S. Energy Research and Development Administration
Bartlettsville Energy Research Center
Bartlettsville, OK
Report No./Journal: EERC/RI76/10
NTIS/GPO No.: Type of Report: Annual; November,
1976
Abstract
Compositional data of coal liquid products derived from the H coal
process were obtained. Two products, one from the fuel oil mode of
operation and the other from the Syncrude mode of operation were pre-
pared by Hydrocarbon Research Incorporated from Illinois No. 6 coal. The
compositional data of these products were tabulated and characteristics
of materials were discussed. Separation and characterization methods as
developed by the Bureau of Mines API Research Project 60 for characteriz-
ing heavy ends of petroleum were used in analyzing coal liquid distillates
within the boiling range 200-500°C. Distillates falling below 200°C
were separated and analyzed using chromatographic and spectral techniques.
Ill
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Title: Organic Constitutents in Process Streams of a Solvent Refining
Coral Plant
Authors: Michael R. Peterson
Performing Organization: Radiological Sciences Department
Battelle Northwest Laboratories
Richland, WA 99352
Sponsoring Agency: U. S. Energy Research and Development
Administration [E(45-l)-1830]
Report No./Journal: ENWL-B470
NTIS/GPO No.: None Type of Report: Progress;
December, 1975
Abstract
This report describes some initial studies aimed at characterizing
the composition of product streams in a solvent refined coal plant. In
studies to data they have identifed about 50 of the major organic com-
pounds in various process streams and in the solvent refined fuel pro-
duct. Polycyclic hydrocarbons, phenols and quinolines were found to be
the main classes of organic compounds present. The solvent refining
coal plant is a 5J) ton per day pilot plant operated under ERDA Contract
by the Pittsburg and Midway Coal Mining Company located near Fort Lewis,
WA.
The techniques of sample preparation included sample extraction
with benzene into neutral, acid and basic fractions. The components in
each of these extracts were then characterized using gas chromatography
on two different liquid phases, SP-1000 and SP-2100, and dual flame
ionization detector. Retention times of peaks found in each fraction
were cross-checked against retention times of known compounds. A
112
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suitable match of retention times on each phase was taken as proof of
the identity of the unknown peak in the sample. Some of the extracts
were analyzed using gas chromtography/mass spectrometry. The results
from the flame ionization runs were verified using gc/ms and many minor
components were identified using computer searching of mass spectral
libraries.
The authors believe that of the coal, tar, and hydrogenation pro-
ducts of coal which have been studies, about 1,000 of the estimated
10,000 compounds have been identified. The major peaks in the gas
chromatography of the straight process naphtha were identified as
polynulcear aromatics and some simple phenolic compounds.
113
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Title: Functional Composition of Neutral Oxygen Compounds of Primary
Coal Tar
Authors: Z. A. Rumyantseva, E. P. Buryakova, Z. M. Perednikova, I. N.
Drizina, N. M. Karavaev
Performing Organization: USSR
Sponsoring Agency: USSR
Report No./Journal: Khimiya Tverdogo Topilva No. 3: 94102 (1973)
NTIS/GPO No.: None Type of Report: Publication
Abstract
A study was made of the neutral oxygen compounds of tar from semi-
coking of soft coal. The bulk of the neutral oxygen compounds are
hydroxyl and carbonyl compounds. Monoatomic bicyclic phenols with
weakly acidic properties form stable intermolecular hydrogen bonds among
themselves and with carbonyl compounds and are present in the tar as
polyassociates. The primary techniques employed were alumina column
chromatography and infrared spectroscopy.
114
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Title: Influence of Synthane Gas Fire Conditions on Effluent and Product
Gas Production
Authors: David V. Nakles, M. J. Massay, A. J. Forney, W. P. Hances
Performing Organization: Pittsburgh Energy Research Center
Energy Research and Development Administration
Pittsburgh, PA
Sponsoring Agency: U. S. Energy Research and Development Administration
Report No./Journal: PERC/RI-75/6
NTIS/GPO No.: Unknown Type of Report: Progress Report
December, 1973
Abstract
This report presents the conditions for the operation of a steam
oxygen gasification of coal by the Synthane process and others at the
Pittsburgh Energy Research Center. The report is particularly useful
since it presents the various characteristics of the operation of a
steam oxygen gasifier.
115
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Title: Evaluation of Pollution Control in Fossil Fuel Conversion Pro-
cesses. Liquefaction: Section II. SRC Process
Author: C. E. Jahnig
Performing Organization: Exxon Research and Engineering Co., P 0.
Box 8, Linden, NJ 07036
Sponsoring Agency: EPA, Office of Research and Development, NERC-RTP
Control Systems Laboratory, Research Triangle
Park, NC 27711
Report No./Journal: EPA-650/2-74-009-F
NTIS/GPO No.: PB-241-792 Type of Report: Final (Task) March, 1975
Abstract
This report discusses the analysis of the solvent refined coal
(SRC) process of the Pittsburgh and Midway Coal Mining Co. It includes
estimates on the quantitites of solid, liquid and gaseous effluents,
where possible. The concentration of 43 elements in the SRC product is
given and compared to the coal feed. The instrumental techniques used
for analyzing the elements were: atomic absorpiton, neutron activation
and flame emmission. The report points out the need for the determination
of the trace elements in the products during liquefaction and gasification
and the need to do complete balances. In the SRC plant, many of the
effluents are from conventional operations such as process furnaces,
utility boilers, waste water treating and ash disposal.
The examination of organic constitutents in liquid and solid ef-
fluents is briefly discussed. The determination of the individual
compounds appearing in the waste effluents of this process was not
performed.
116
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Title: Analyses of Tars, Chars, Gases and Waters Found in Effluents
from the Synthane Process
Authors: A. J. Forney, W. B. Hanes, S. J. Gasior, G. E. Johnson and
J. P. Strakey, Jr.
Performing Organization: Bureau of Mines, Pittsburgh, PA
Sponsoring Agency: Department of Interior
Report No./Journal: TPR-76 January, 1974
NTIS/GPO No.: Unknown Type of Report: Government Publication
Abstract
This program has conducted extensive studies on the various efflu-
ents found in the Synthane coal to gas process. Elemental analysis of
water and gas streams was performed using spark source and electron
impact mass spectrometry. Accoring to the authors, the results show
that additional research is needed on water.
117
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Title: Effect of Additives on the Gasification of Coal in the Synthane
Gasifier
Authors: A. J. Forney, W. P. Hanes, S. J. Gasior, R. F. Kinney
Performing Organization: Pittsburgh Energy Research Center, Pitts-
burgh, PA
Sponsoring Abency: ERDA, Washington, DC
Report No./Journal: Energy Sources, 2, 1 (1975)
NTIS/GPO No.: Unknown Type of Report: Literature Publication
Abstract
In this program several calcium compounds were added to coal which
was gasified in the Synthane laboratory gasifier at Bruceton, PA.
Limestone, slate lime and quicklime all increased the reactivity of the
coal. The quality of the polluted water that is condensed after the
gasification process is apparently also changed by these additives.
Future work in this area will include the determination of the consti-
tuents in the polluted water.
118
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Title: Mass Spectrometric Analysis of Product Water from Coal Gasifi-
cation
Authors: C. E. Schmidt, A. G. Sharkey, Jr. and R. A. Friedel
Performing Organization: Pittsburgh Energy Research Center, Pittsburgh,
PA.
Sponsoring Agency: The Bureau of Mines, Advancing Energy Utilization
Technology Program, U. S. Department of Interior
Report No./Journal: TPR-86
NTIS/GPO No.: Unknown Type of Report: Government Technical
Progress Report
Abstract
This report presents information on condensate waters from the
Bureau of Mines Synthane process for coal gasification. Investigations
were conducted using mass spectrometric methods to determine organic
contaminants. Waters from the gasification of (> coals were extracted
with methylene chloride yielding 0.6-2.4 wt. percent extractable ma-
terial. Using high resolution mass spectrometry, combined gas chromato-
graphy/mass spectrometry, and low voltage mass spectrometry, 60-80% of
the extract was identified as phenolics. Twenty organic contaminants
were identified and were present in the condensate waters from each coal
gasified. The relative distribution in the condensates was nearly the
same for the 6 coals gasified under various conditions. Phenols were
the most abundant compounds in all cases.
Because of the methodology employed in the preparation of the water
sample for analysis by mass spectrometry or gas chromatography/mass
spectrometry, the volatile vapors present in the waters were not included
119
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in these analyses. The extremely volatile compounds which might be
present in the aqueous condensates would be lost in the sample work-up
during the evaporation or concentration of methylene chloride.
120
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Title: Mass Spectrometric Analysis of Coal-Tar Distillates and Residues
Authors: J. L. Shultz, R. A. Friedel and A. G. Sharkey, Jr.
Performing Organization: Pittsburgh Energy Research Center, Pittsburgh,
PA
Sponsoring Agency: U. S. Department of the Interior, Bureau of Mines
Report No./Journal: RI-7,000
NTIS/GPO No.: Unknown Type of Report: Government Technical
Progress Report
Abstract
This paper discusses the high resolution mass spectrometric
analyses of naphthalene and anthracene oils, heavy creosote, and 3
fractions of a pitch. The average molecular weight, aromaticity and
mean structural unit were determined for each fraction. The investi-
gation of each fraction of coal-tar has resulted in serai-quantitative
data for 38 structural types and a carbon number distribution listing
for the alkyl derivatives. Molecular weights of 10 of these structural
types had indicated ring systems which were not previously reported in
products from high temperature carbonization of coal. Two structures
are polynuclear aromatic hydrocarbons, two are oxygen containing com-
pounds, one contains sulfur and five are nitrogen containing compounds.
The purpose of the report was to confirm and extend the data
obtained by other chemical and spectroscopic techniques.
121
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Title: Analytical Method for Polynuclear Hydrocarbons in Coal Tar
Authors: H. Matsushita, Y. Esumi, A. Suzuki and T. Handa
Performing Organization: Unknown
Sponsoring Agency: Unknown
Report No./Journal: Jap. Anal., 21(11), 1471-1478 (1972)
NTIS/GPO No.: None Type of Report: Literature Publication
Abstract
This report presents a new analytical method for the analysis of
polynuclear hydrocarbons in coal tar. The technique involves extraction
of the hydrocarbon by liquid-liquid partition, spearation of the hydro-
carbons into individual components by two dimenstional dual band thin-
layer chromatography and spectrofluorometric analyses of these components.
Environmental samples were also examined using gas chromatography
combined with a microwave spectrometric detection system.
122
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Title: Mass Spectrometric Analyses of Streams from Coal Gasification
and Liquefaction Processes
Authors: A. G. Sharkey, Jr., J. L. Schultz, C. E. Schmidt and R. A.
Friedel
Performing Organization: Pittsburgh Energy Research Center, Pitts-
burgh, PA
Sponsoring Agency: U. S. Energy Research and Development Administra-
tion, Pittsburgh, PA
Report No./Journal: PERC/RI-75/5
NTIS/GPO No.: Unknown Type of Report: Government Technical
Progress Report,
November, 1975
Abstract
Analysis of the streams from the Pittsburgh Energh Research Cen-
ter's Synthane and Synthoil processes was reported. Streams from coal
gasification and coal hydrogenation processes were outlined in this
report and examples were given for the analysis of coal, gas, oil and
tar process water. Techniques used were mass spectrometry, gas chroma-
tography/mass spectrometry and spark source mass spectrometry. Data
were presented on: (1) analysis of trace and minor elements in coals;
(2) the major components in gas from gasification of coal; (3) trace
components in the gas from coal gasification; (4) the major structural
types in heavy oil and tar fractions from the Synthoil process, (5)
organic sulfur compounds from coal hydrogenation; (6) sulfur compounds
in the products from multi-pass hydrogenation of an Indiana No. 5 coal;
(7) the catalytic hydrosulfurization process; (8) the analysis of benzene-
123
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soluble tar; and (9) the trace elements in a condensate from an Illinois
No. 6 coal gasification test run.
124
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Title: Relation of Coal Characteristics to Coal Liquefaction Behavior
Authors: P. H. Given, W. Spackman, A. Davis, P. L. Walker and H. L.
Level
Performing Organization: Pennsylvania State Unviersity, University
Park, PA
Sponsoring Agency: Unknown
Report No./Journal: ERDA Research Abstracts, July, 1975 Abstract
00710
NTIS/GPO No.: None Type of Report: Literature Publication
Abstract
In this study various characteristics of coal (rank, petrographic
composition, geological history an composition of the inorganic constit-
uents) were studied systematically to determine their relevance to
liquefaction behavior of coals. A continous flow reactor, batch autoclaves,
low pressure reaction vessels and other equipment were used in this
investigation. The report contains the following topics: (1) Sample
Collection and Characterization; (2) Liquefaction Behavior of a Series
of Coals from Appalachia; (3) Major, Minor and Trace Elements in Liquid
Products and Solid Residues from Catalytic Hydrogenation of Coals; (4)
Mechanistic Studies; (5) Studies with Hydrogen Transfer Techniques; (6)
Use of Differentiation Scanning Colorimetry for Evaluating Coals for
Liquefaction Studies; (7) Characterization of Mineral Matter from Coals
by Scanning Electron Microscopy; and (8) Preparation of Maceral Con-
centrations for Liquefaction Research.
125
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Title: Characterization of Nitrogen Compounds in Tar Produced from
Underground Coal Gasification
Authors: S. B. King, C. F. Brandenburg and W. J. Lanum
Performing Organization: Energy Research and Development Administra-
tion, Laramie, WY
Sponsoring Agency: U. S. Energy Research and Development Adminis-
tration
Report No./Journal: Pg. 131-139, ACS 169th National Meeting,
Washington, DC, 1975
NTIS/GPO No.: None Type of Report: Abstract
Abstract
The composition of coal tar produced from in situ coal gasification
is discussed as part of the monitoring program of the underground migra-
tion of these organic fluids. The program proposes to determine what
effect they may have on water supplies.
126
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Title: Trace Element and Major Component Balances Around the Synthane
PDU Gasifier
Authors: A. J. Forney, W. P. Haynes, S. J. Gasior, R. M. Kornosky,
C. E. Schmidt and A. G. Sharkey, Jr.
Performing Organization: Pittsburgh Energy Research Center, Pitts-
burgh, PA
Sponsoring Agency: U. S. Energy Research and Development Administration
Pittsburgh, PA
Report No./Journal: PERC/TPR-75/1
NTIS/GPO No.: Unknown Type of Report: Government Technical
Progress Report,
August, 1975
Abstract
This report presents the results from feed coal and non-gaseous
products for 65^ trace elements. A series of gasification tests was run
in the Synthane PDU gasifier in order to define the distribution of
trace elements in the effluent streams that enter and leave the gasi-
fier. Feed coal, filter fines, char, tar, and water effluents were
analyzed.
127
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Title: Fate of Trace Constituents of Coal During Gasification
Authors: A. Attari
Performing Organization: Institute of Gas Technology, I.I.T. Center,
3424 South State Street, Chicago, IL 60616
Sponsoring Agency: EPA, Office of Research and Development, NERC, RTF
Control Systems Laboratory, Research Triangle Park,
NC
Reprot No./Journal: EPA-650/2-73-004
NTIS/GPO No.: PB-223-001 Type of Report: Final Technical
Abstract
Results of an investigation of the fate of trace elements in coal
during the Hygas coal gasification process is presented. The work is
from a six month study to set up laboratory analytical methods to
analyze for Sb, As, Be, Cd, Cr, Pb, Hg, Ni, Se, Te, and V. The samples
analyzed were representative of the coal input and the solid effluent of
the pretreatment hydrogasification and electrothermal stages of the IGT
pilot plant. The data indicated that a substantial amount of some of
these elements was removed from coal during the gasification process.
Analysis of the elements was performed with a Perkin-Elmer Model
303 double beam atomic absorption spectrophotometer with a background
compensator installed internally, a nebulizer burner assembly, and a
Sargent TR 10" strip chart recorder. An international plasma low temper-
ature asher [(LTA) IPC Model 1005B] was used for ashing the coal. Sample
workup prior to atomic absorption analysis consisted of acid dissolution
of coal ash using a perchloric-hydrofluoric acid technique.
128
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Mercury analysis could not be conducted in this manner since losses were
encountered. Mercury was determined by vapor phase analysis via gold
amalgamation.
The gasification experiment utilized Pittsburgh No. 8 Seam bi-
tuminous coal.
129
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Title: Characterization of Mineral Matter in Coals and Coal Lique-
faction Residues
Authors: P. L. Walker, Jr., W. Spackman, P. H. Given, E. W. White, A.
Davis, R. G. Jenkins
Performing Organization: Coal Research Section, College of Earth and
Mineral Sciences, Pennsylvania State Univer-
sity, University Park, PA
Sponsoring Agency: Electric Power Research Institute, 3412 Hillview
Ave., Palo Alto, CA 94304
Report No./Journal: EPRI 366-1, December, 1975
NTIS/GPO No.: Unknown Type of Report: Publication
Abstract
This is the first of the annual reports for a program which began
January 1, 1975 and is scheduled to run through December 31, 1977. The
mineral matter in American coal and the residues resulting from their
hydrogenative liquefaction were described. The characterization tech-
niques which were employed during the first year of this program were
reflectance of organic and inorganic fractions in incident light, light
microscopy, computer evaluation of scanning electron microscope images,
infra-red spectroscopy, x-ray diffraction, sedimentation, surface areas
from gas adsorption, helium densities, magnetic measurements and trans-
mission electron microscopy.
Samples of feed coals and liquefaction residues were supplied by H.
R. I., Southern Servies, Universal Oil, Lummus Co. and Pittsburgh and
Midway Coal Mining Co. The techniques employed the polishing of a
section of coal which was subsequently analyzed by optical and electron
microscopic techniques. The analyses for minerals were performed
130
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on these polished sections by a combination of techniques (ARM and
CESEMI). Low-temperature ash was prepared from representative samples of
coal and residues and then subjected to analysis by x-ray diffrection,
infra-red spectroscopy and spectro-chemical analysis. Thus qualitative
and quantitative analyses for the major minerals were obtained.
131
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Title: Trace Element and Major Component Balances Around the Synthane
PDU Gasifier
Authors: A. J. Forney, W. P. Haynes, S. J. Gasior, R. M. Kornosky,
C. E. Schmidt and A. G. Sharkey
Performing Organization: Pittsburgh Energy Research Center, Pittsburgh,
PA
Sponsoring Agency: U. S. ERDA, Washington, DC
Report No./Journal: PERC/TPR-75/1
NTIS/GPO No.: Unknown Type of Report: Government Publication
Abstract
A series of gasification tests was run in the Synthane PDU gasi-
fier in order to define the distribution in the effluent streams of
trace elements in the coals that enter the gasifier. The feed coal and
non-gaseous products were analysed for 65 trace elements. Most of the
elements were found in the char and dust with some also in the tars and
waters. The report also indicates some problems with the availability
of accurate methods of analysis ot make reasonable balances of the trace
elements.
The trace element analysis was done on coal feed, feed water, char,
fines, tar, water and gases derived from Illinois No. 6 coal using the
technique of spark-source mass spectrometric analysis. Trace elements
in the gas phase were also determined by neutron activation. Mercury
analysis was performed by flameless atomic absorption procedures.
132
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Title: Characterization of the Resin Fraction from Various Low Tempera-
ture Tar Pitches
Authors: C. Karr, Jr. and J. R. Comberiati
Performing Organization: Low-Temperature Tar Unit, Morgantown Coal
Research Center, Morgantown, WV
Sponsoring Agency: Bureau of Mines: U. S. Department of Interior
Report No./Journal: Bulletin 636, Bureau of Mines
NTIS/GPO No.: Unknown Type of Report: Project Report
Abstract
Resins from a bituminous pitch, a bituminous coal, a lignite tar,
a sub-bituminous pitch, and an electrode binder pitch were investigated.
The compositions of each of these resins were determined by four inde-
pendent methods of structural determination: (1) molecular formula and
ring analysis, including ring arrangemnt; (2) infra-red and ultra-violet
spectra; (3) combined pyrolysis/gas chromatography; and (4) catalytic
dehydrogenation followed by spectral and pyrolytic analysis. The
approximate formula C 0H .0 was assigned to a benzene-soluble, petro-
zo H* 2.
leum ether-insoluble resin (molecular weight 395) from a low-temperature
pitch. It is suggested that an average compound with about seven rings,
not of which all were aromatic, could account for this formula.
Ring analysis, including the determination of ring arrangement,
showed that the high molecular weight resins had a picene- or benzopicene-
type skeleton with four or five aromatic rings, one or two saturated
rings, five to ten methyl grups, and two to four oxygen atoms/molecule.
The major substituents were phenolic hydroxyl and methyl groups. Carbonyl
groups were present, conjugated with either aromatic rings, olefinic
groups, or both.
133
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Title: Comparison of Pitch Resins from Different Sources by Combined
Pyrolysis and Gas-Liquid Chromatography
Authors: C. Karr, J. R. Comberiati and W. C. Warner
Performing Organization: Morgantown Coal Research Center, Morgantown,
West Virginia
Sponsoring Agency: Bureau of Mines, U. S. Department Interior, Morgantown,
West Virginia
Report No./Journal: Anal. Chem., 35, 441 (1963)
NTIS/GPO No.: NA Type of Report: Publication
Abstract
The technique of combined pyrolysis and gas-liquid Chromatography
was used for comparison of various pitch resins derived from a low-
temperature Texas lignite tar, a low-temperature nugget Wyoming sub-
bituminous coal tar, a low-temperature West Virginia bituminous coal tar
and an electrode binder pitch from a high temperature coke oven bitu-
minous tar. The low-temperature tars were prepared in a fluidized bed
carbonization at about 500°C. Analysis was performed on benzene-soluble
and petroleum ether-insoluble, resins isolated from these sources.
This report indicates that the yield of total liquid products from
about C -hydrocarbons through the cresols decreased as the coal rank
decreased and also, in the case of bituminous coal, as the carbonization
temperature was increased. The percentage of aromatics in the products
(of pyrolysis) increased in going from sub-bituminous to bituminous to
coke oven material but the highest yield of aromatics was obtained from
the lignite resin. Phenols were observed in the pyrolysis products from
all of the resins. However, the lignite resin was the only one that
yielded phenols in significant amounts. According to these authors,
134
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this result is in line with the observation that lignite tar has a much
higher proportion of phenols than other tars. Quantitation was also
performed for the pyrolysis products from the four different resins. In
general, ~20 pyrolysis products were observed. These were primarily
branched-chain alkanes and alkenes, aromatics such as ethylbenzene and
the xylenes, phenol and the cresols.
135
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Title: Molecular Profile Analysis of Coal Products
Author: M. Anbar
performing Organization: Stanford Research Institute, Mass Spectrometry
Research Center, Menlo Park, CA 94025
Sponsoring Agency: Electric Power Research Institute, 3412 Hillview
Ave., Palo Alto, CA 94304
Report No./Journal: EPRI 316-1
NTIS/GPO No.: PB-248 962 Type of Report: Final Report,
October, 1975
Abstract
The objectives of this reserch program were to develop instrumen-
tation and experimental methodology for characterizing coal liquefaction
products by mass spectrometric techniques. The feasibility of analyzing
coal liquefaction by field ionization mass spectrometry was examined and
confirmed. Under this program was developed: (1) a novel field ioni-
zation source that can handle non-volatile materials and (2) compu-
terized data handling techniques to generate noise-free spectra.
The coal liquefaction products wre produced either by solvent
refinement or catalytic hydrogenation of coal. The compounds produced
were a complex mixture of organic compounds which included aliphatic and
aromatic hydrocarbons, phenolics and basic heterocyclic compounds. The
diverse compounds observed had molecular weights ranging from 100 to a
few 1,000 and included highly volatile materials like benzene as well as
materials of extremely low volaility like the asphaltenes. The analysis
was primarily conducted on a 90° sector magnetic mass spectrometer
equipped with a field ionization source developed under another project
at this research facility.
136
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Title: Compositional Analysis of Synthoil from West Virginia Coal
Authors: P- W. Woodward, J. G. Stuerm, Jr., J. W. Vogh, S. A. Holmes,
and J. E. Dooley
Performing Organization: Bartlettsville Energy Research Center, Bartletts-
ville, Oklahoma
Sponsoring Agency: U. S. ERDA, Washington, DC
Report No./Journal: PERC/RI-76/2, January, 1976
NTIS/GPO No.: Unknown Type of Report: Government Document
Abstract
This report describes a synthetic crude oil (Synthoil) derived from
West Virginia Pittsburgh seam coal by the Synthoil process which was
separated into three distillates an a residual fraction. The distillate
fraction (<207°C) was further separated and characterized by gas chroma-
tography and spectral techniques. The 207-363°C and 363-531° boiling
distillates were further separated and characterized by methods developed
by the Bureau of Mines for characterization of the heavy end of petro-
leum. Each of the higher boiling distillates was separated by dual
packed column absorption chromatography into four concentrates: saturates,
monoaromatics, disromatics and polyaromatic polar. The saturated com-
pounds were characterized directly by mass spectromety. Both the mono-
aromatic and diaromatics concentrates were further separated by gel
permeation chromatography (gpc) before characterization by gc/mass
spectral correlations and nuclear magnetic resonance spectrometry. Acids
and bases were extracted from the polyaromatic polar concentrates
before gpc separation and mass spectral analysis. A composite semi-
quantitative analysis of the distillate fractions for the saturates,
137
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monaromatics, diaromatics, polyaromatics and other compounds was con-
ducted .
The monoaromatics accounted for about 27% of the 207-363°C distil-
late and only 5% of the 363-531°C distillate. These compounds consisted
of alkylbenzenes and the naphthalenologs thereof with up to 6 naphthalene
rings on the benzene nucleus. The average carbon number of this dis-
tillate was CL,. with an average range of C to C , compared with an
13 iU -£o
average carbon number of C and an average range of C to C for the
363-531° distillate. High resolution mass spectral data were used to
verify the monoaromatic characterizations.
Diaromatics accounted for about 22% of both distillates. Diaromatic
types in the 207~363°C distillate corresponded to naphthalenes and /or
diphenyl alkanes and their naphthalenologs with an average carbon
number of C and an average range of C -C ... High resolution mass
spectral data were obtained along with nmr and fluroescence data to
verify the diaromatic characterizations.
The acid and base extraction of the 207-363°C polyaromatic polar
consisted of four fractions. These were hydrocarbon neutrals, weak
acids, strong acids and bases amounting to 10.3, 7.2, 9.1 and 3.4%,
respectively, of the distillate. The hydrocarbon fraction including
some neutral heteroatomic types was further separated by gpc and analyzed
by mass spectral techniques. The major compound types corresponded to
azanaphthalenes, phenanthrenes and anthracenes and their naphthaleno-
logs. Other hydrocarbon types found were: diazanaphthalenes, pyrenes,
benzopyrenes, perylenes, chrysenes and their naphthalenologs. Nitrogen
compounds were also detected by high resolution mass spectrometry in the
hydrocarbon fraction of the 207-363°C polyaromatic polar concentrate.
138
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These consisted of pyridans, indoles, carbazoles and acridines and
amounted to only about 7.8% of the hydrocarbon fraction. Oxygenated
compounds were predominantly dibenzofurans.
139
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Title: Identification of Distillable Paraffins, Olefins, Aromatic
Hydrocarbons, and Neutral Heterocyclics from a Low-Temperature
Bituminous Coal Tar
Authors: C. Karr, Jr., P- A. Estep, T. C. L. Chang and J. R. Comberiati
Performing Organization: Morgantown Energy Research Center, Morgantown,
WV
Sponsoring Agency: Bureau of Mines, U. S. Dept. of Interior, Morgan-
town, WV
NITS/GPO No.: Unknown Type of Report: Government Document
Abstract
This report presents the extensive characterization which was
conducted on neutral oil components in a low-temperature bituminous coal
tar. A total of 133 individual compounds was identified with respect to
individual isomers and at least 55 other compounds were indicated to be
present. The amounts were determined in all instances. Detailed des-
criptions are presented for the separation and qualitative and quan-
tative characterization of neutral oil components. The techniques
primarily used were: micro-vacuum fractional distillation, displacement,
liquid chromatography, gas-liquid chromatography. countercurrent distri-
bution and infra-red and ultra-violet spectrophotometry.
The report also describes the synthesis of authentic standards of
alkylindenes. The ultra-violet and infra-red spectra of 134 polycyclic
compounds ranging from alkylindene to alkylphenanthrenes either found in
the distillable neutral oil or though likely to be present are also
given.
140
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Title: Gas-Liquid Chromtographic Analysis of Aromatic Hydrocarbons
Boiling Up To 218° in a Low-Temperature Coal Tar
Authors: T. C. L. Chang and C. Karr, Jr.
Performing Organization: Low-Temperature Tar Laboratory, Morgantown
Coal Research Center, Morgantown, WV
Sponsoring Agency: Bureau of Mines, U. S. Dept. Interior, Morgantown,
WV
Report No./Journal: Analytica Chimica Acta, 21, 474 (1959)
NTIS/GPO No.: NA Type of Report: Publication
Abstract
This paper describes the results of analysis for aromatic hydro-
carbons boiling upto 218° which are present in the neutral oil portion
of a low-temperature bituminous coal tar. In this work, gas-liquid
chromatography and other modern analytical techniques were used for
analysis. Fifty-two aromatic hydrocarbons boiling upto 218° were found
and their quantities were determined. Besides indanes, benzofurans and
indenes, the aromatic hydrocarbons identified were methylated, ethylated
or propylated benzenes. No butylbenzenes have been found in this par-
ticular tar. A linear relationship between log of relative retention
time and normal boiling point was demonstrated for C~, C , C , C and
C alkylbenzenes which lie on five parallel lines whose separation from
each other is related to the logarithm of the number of carbon atoms in
the alkyl group.
141
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Title: A Note on Determining the Arrangement of Rings in Polynuclear
Aromatic Compounds of Coal Tar Pitch Fractions
Author: C. Karr, Jr.
Performing Organization: Low-Temperature Tar Laboratory, Morgantown
Coal Research Center, Morgantown, WV
Sponsoring Agency: Bureau of Mines, U. S. Dept. Interior, Morgantown,
WV
Report No./Journal: Fuel, 39, 119 (1960)
NTIS/GPO No.: NA Type of Report: Publication
Abstract
This publication describes a mathematical treatment of ring index
(total rings/carbon atom, R/C) vs. atomic hydrogen to carbon ratio (H/C)
for several common series of condensed polynuclear aromatic compounds.
The method demonstrates that each series has a different set of expres-
sions of R/C and H/C in terms of R from which the arrangement of rings
can be differentiated for compounds containing less than 10 rings.
142
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Title: Extracting Neutral Low-Temperature Lignite Tar Fractions with
Dipropionitrile Solvents
Authors: P. L. Campbell and J. M. Stuckey
Performing Organization: Morgantown Energy Research Center, Morgantown,
WV
Sponsoring Agency: Bureau of Mines, U. S. Dept. of Interior, Morgan-
town, WV
Report No./Journal: RI-5742 (1961)
NTIS/GPO No.: Unknown Type of Report: Government Document
Abstract
This report presented the investigations on methods of upgrading
tar obtained by low-temperature carbonization of lignite. Several
solvents such as |3, (3* -oxydipropionitrile, p,{3' -iminodipropionitrile, and
P,{B'-thiodipropionitrile were found to be effective solvents for extract-
ing aromatics (aromatic hydrocarbons plus polar compounds) from coal tar
neutral distillate fractions. Batch extractions show that these solvents
extracted approximately the same percentage of aromatics from various
neutral oil fractions boiling between ~170-350°C. Continous countercur-
rent extractions were used in conjunction with these solvents. Other
solvent partitioning methodology is also presented in this report for
extracting the neutral fraction or aromatic and polar hydrocarbons.
143
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Title: Gas-Liquid Chromatographic Analysis of Aromatic Hydrocarbons
Boiling Between 202-280° in a Low-Temperature Coal Tar
Authors: T. C. L. Chang and C. Karr, Jr.
Performing Organization: Low-Temperature Tar Laboratory, Morgantown
Coal Research Center, Morgantown, WV
Sponsoring Agency: Bureau of Mines, U. S. Dept. Interior, Morgantown,
WV
Report No./Journal: Analytica Chimica Acta, 24 343 (1961)
NTIS/GPO No.: NA Type of Report: Publication
Abstract
This study utilized gas-liquid chromatography in conjunction with
infra-red and ultra-violet spectrophotometry to analyze aromatic hydro-
carbons boiling between 202-280°C in the neutral oil portion of a low-
temperature bituminous coal tar. A total of 48 compounds was identified
»
of which 20 were alkylnapthalenes. Of these compounds, nine had also
been mentioned in a previous report. Quantitative determinations were
made on nearly all of the components. This analysis is by far the most
detailed one carried out up to this year for the alkylnaphthalene cut of
a low-temperature coal tar. In this report, the alkylnaphthalenes with
equal numbers of carbon atoms and their alkyl groups were demonstrated
to display a linear relationship between log relative retention and
normal boiling point, a situation which is similar to that for the
alkylbenzene series described in another report. The values for the
Cll' C12' C13 alkylnaPhttlalenes lie on three parallel lines.
144
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Title: Properties of Compounds in Coal Carbonization Products
Authors: H. C. Anderson and W. R. K. Wu
Performing Organization: Pittsburgh Coal Research Center, Pittsburgh,
PA
Sponsoring Agency: Bureau of Mines, U. S. Dept. Interior, Pittsburgh,
PA
Report No./Journal: Bulletin 606, Bureau of Mines
NTIS/GPO No.: Unknown Type of Report: Government Document
Abstract
This compendium gives data for 832 compounds that have been found
in the products of coal carbonization. Data for each compound include
values found in the literature for frequently used properties as well as
molecular folmula, structural formula, source, investigator and mole-
cular weight. For example, the source of cyclohexene is listed as high
temperature tar, Ref. 10-1360, bituminous low-temperature, Ref. 1140 and
crude benzole boiling, 79-81.5°, Ref. 4-A4. Furthermore, 32 inorganic
structural formulas and sources are tabulated.
The compendium is current to February of 1962.
145
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Title: Ring Analysis and Spectral Characterization of Resins from Pitch
of Low-Temperature Tar
Authors: C. Karr, Jr., J. R. Comberiati and P. A. Estep
Performing Organization: Low-Temperature Tar Laboratory, Morgantown
Coal Research Center, Morgantown, WV
Sponsoring Agency: Bureau of Mines, U. S. Dept. Interior, Morgantown,
WV
Report No./Journal: Fuel, 41, 167 (1962)
NTIS/GPO No.: NA Type of Report: Publication
Abstract
This publication describes the analysis of resins from pitch of
lignite, sub-bituminous and bituminous low-temperature tars by ring
analysis and infra-red and ultra-violet spectrophotometry. The composition
of the resins was primarily found to be aromatic compounds all having 4
or 5 aromatic rings/molecule. Saturated rings possible including ether
groups were also determined to be present and fused into the hydrocarbon
skeleton. The lower molecular weight resins have a linear arrangement
of rings with 1 or 2 saturated rings in addition to the aromatic rings.
According to this report, the higher molecular weight resins apparently
have a globular or compact arrangement of rings with 5-7 saturated rings
in addition to the aromatic rings. The resins were found to have 2-6
oxygen atoms/molecule. Phenolic hydroxyl groups were also present and
probably accounted for the majority of the oxygen. Carbonyl groups were
conjugated with either aromatic rings of olefinic groups or both. Most
of the aromatic rings were found to have at least 2 substituents. These
were mostly either methyl groups or fused saturated rings or both.
Alkyl substitution was greater for the lower molecular weight resins.
146
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Title: Estimation of Ratio of Isomers in Coal Tar from Free Valence
Numbers
Author: C. Karr, Jr.
Performing Organization: Morgantown Coal Research Center, Morgantown,
WV
Sponsoring Agency: Bureau of Mines, U. S. Dept. Interior, Morgantown,
WV
Report No./Journal: Fuel, 41 299 (1962)
NTIS/GPO NO.: NA Type of Report: Publication
Abstract
The substance of this article is that a relationship exists between
the divergence in the distribution of isomers in low-temperature coal
tars and the predicted thermodynamic equilibrium distributions in the
kinetic distribution at 500°C for coal structure and tar composition.
The ratio of isomers in the kinetic distribution was estimated from the
free valence numbers assuming a free radical mechanism of alkylation.
The purpose thus is to predict the composition of the tar which is
derived during the low-temperature carbonization process.
147
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Title: Gas-Liquid Chromatographic Analysis of C10~C16 B~Paraffins>
Parafffins an a-Olefins in a Low-Temperature Coal Tar
Authors: T. C. L. Chang and C. Karr, Jr.
Performing Organization: Low-Temperature Tar Research, Morgantown Coal
Research Center, Morgantown, WV
Sponsoring Agency: Bureau of Mines, U. S. Dept. Interior, Morgan-
town, WV
Report No./Journal: Anal. Chimica Acta, 26, 410 (1962)
NTIS/GPO No.: NA Type or Report: Publication
Abstract
In this report, 21 C10-C16 hydrocarbons, seven each of n-paraffins,
2-methylalkanes and a-olefins were identified in a low-temperature
bitimunous coal tar by means of gas-liquid chromatography. Quantitative
determinations were made on all of these constituents. The study found
that curves for the plots of the logarithm or relative retention time
against normal boiling points for CL -C.,^ n-paraffins and a-olefins were
1U lo —
parallel. A similar parallel curve for the 2-methylalkane series was
derived using the known point of 2-methyldecane. This correlation curve
was used for the identification of several 2-methylalkanes. Naphthenes
and trans-olefins were found in small amounts.
148
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Title: Structure Determination of Resins from Pitch of Low-Temperature
Tar by Combined Pyrolysis and Gas-Liquid Chromatography
Authors: C. Karr, Jr., J. R. Comberiati and P. A. Estep
Performing Organization: Low-Temperature Tar Laboratory , Morgantown,
Coal Research Center, Morgantown, WV
Sponsoring Agency: Bureau of Mines, U. S. Dept. Interior, Morgantown,
WV
Report No./Journal: Fuel, 42, 211 (1963)
NTIS/GPONo.: NA Type of Report: Publication
Abstract
Sub-bituminous coal tar resin which had been heated for several
seconds at a temperaure of 528° was subjected to pyrolysis followd by
gas-liqud chromatography. The major pyrolysis products were 2,3,4-
trimethylpentane, 2,2,4-trimethylpentane and benzene in decreasing
quantity, respectively. Toluene and the 3 xylenes were also present,
but no higher-boiling volatile products were detected. The conclusion
these authors give is that this resin is made up largely of isolated
benzene rings joined together by saturated fused multi-ring systems with
saturated bridged carbons including quaternary carbons.
149
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Title: Composition of Pyridine Extracts from Reduced and Untreated
Coals as Determined by High Resolution Mass Spectrometry
Authors: T. Kessler, R. Raymond and A. G. Sharkey, Jr.
Performing Organization: Pittsburgh Coal Research Center, Pittsburgh,
PA
Sponsoring Agency: Bureau of Mines, U. S. Dept. of Interior, Pittsburgh,
PA
Report No./Journal: Fuel, 48 179 (1964)
NTIS/GPO No.: NA Type of Report: Publication
Abstract
High resolution mass spectrometric analysis was performed on the
volatile portion of pyridine extracts obtained from reduced an un-
treated vitarin. This process demonstrated the following: (1) a
greater concentration of oxygen-containing compounds in the reduced
vitrain compared with that in the untreated vitrain; (2) an approximate
eight-fold decrease in the organic sulfur compounds in the vitrain
following reduction which was thought to be consistent with the decrease
in sulfur as shown by ultimate analysis; (3) a lower concentration of
higher molecular weight hydrocarbons such as 3-ring aromatics in the
reduced vitrain; and (4) a significant increase in the amount of hydro-
aromatic compounds in the reduced vitrain.
The reduced sample was prepared by reacting vitrain from Pittsburgh
seam HVAB coal with lithium-ethylenediamine.
150
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Title: Composition of Pyridine Extracts from Reduced and Untreated
Coals as Determined by High Resolution Mass Spectrometry
Authors: T. Kessler, R. Raymond and A. G. Sharkey, Jr.
Performing Organization: Pittsburgh Coal Research Center, Pittsburgh,
PA
Sponsoring Agency: Bureau of Mines, U. S. Dept. of Interior, Pittsburgh,
PA
Report No./Journal: Fuel, 48, 179 (1964)
NTIS/GPO No.: NA Type of Report: Publication
Abstract
High resolution mass spectrometric analysis was performed on the
volatile portion of pyridine extracts obtained from reduced an untreated
vitrain. This process demonstrated the following: (1) a greater concen-
tration of oxygen-containing compounds in the reduced vitrain compared
with that in the untreated vitrain; (2) an approximate eight-fold decrease
in the organic sulfur compounds in the vitrain following reduction which
was thought to be consistent with the decrease in sulfur as shown by
ultimate analysis; (3) a lower concentration of higher molecular weight
hydrocarbons such as 3-ring aromatics in the reduced vitrain; and (4) as
significant increase in the amount of hydroaromatic compounds in the
reduced vitrain.
The reduced sample was prepared by reacting vitrain from Pittsburgh
seam HVAB coal with lithium-ethylenediamine.
151
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Title: Quantitative Infra-red Microanalysis of High Boiling Aliphatic
Neutral Oil Fractions
Authors: P. A. Estep and C. Karr, Jr.
Performing Organization: Morgantown Coal Reseach Center, Morgantown,
WV
Sponsoring Agency: U. S. Bureau of Mines, Dept. of Interior,
Morgantown, WV
Report No./Journal: Anal. Chem., 36, 2115 (1964)
NTIS/GPO No.: NA Type or Report: Publication
Abstract
This report discussses a quantitative infra-red microanalytical
procedure that has been developed for characterizing neutral oils from
low-temperature coal tars. The neutral oil distillate fractions ana-
lyzed in this work were obtained from a low-temperature bituminous coal
tar which had been isolated by countercurrent distribution in a dual
solvent system of iso-octane and 90% by weight ethanol and water. The
alphatic material was recovered from the upper phase solvent (iso-
octane) in the automatic fraction collector of a Craig countercurrent
distribution (CCD) apparatus. The lower phase contained primarily the
aromatics. A variety of both saturated and olefin types in the C.. -C_-
range inclusive was identified in these samples. The primary technique
of molar absorptivity in the uv wavelenghts and infra-red spectroscopy
was used for identifying n-alkanes, methylalkanes, a-olefins, and
branched a-olefins.
152
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Title: Analysis of Aromatic Hydrocarbons from Pitch Oils by Liquid
Chromatography on Gas Chromatography Analog
Authors: C. Karr, Jr., E. E. Childers, W. C. Warner and P. E. Estep
Performing Organization: Morgantown Coal Research Center, Morgantown,
WV
Sponsoring Agency: Bureau of Mines, U. S. Dept. Interior, Morgantown,
WV
Report No./Journal: Anal. Chem., 36, 2105 (1964)
NTIS/GPONo.: NA Type of Report: Publication
Abstract
This paper describes the technique of liquid Chromatography on the
gas Chromatography analog for analyzing complex natural mixtures of high
boiling aromatic hydrocarbons including the identification of individual
constitutents. Pitch oil fractions boiling in the range from 290-315°C
were analyzed by this method and shown to contain about 70 components.
However, only 11 of these were readily identified by relative retentions
and by infrared and ultra-violet spectrophotometry. Compounds identi-
fied were: dibenzofuran, fluroene and various methyl derivatives and
phenanthrene. The pitch oils were derived from a low-temperature
bituminous coal tar. They were obtained by distillation in a spinning
band column with a head pressure of about 0.015 mm of mercury. The
origin of the low-temperature bituminous coal tar was not described.
153
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Title: Countercurrent Distribution of High Boiling Phenols from a
Low-Temperature Coal Tar
Authors: C. Karr, Jr., P. A. Estep and L. L. Hirst, Jr.
Performing Organization: Low Temperature Tar Laboratory, Morgantown,
Coal Research Center, Morgantown, WV
Sponsoring Agency: Bureau of Mines, U. S. Dept. of Interior, Morgantown,
WV
Report No./Journal: Anal. Chem., 32, 463 (I960)
NTIS/GPO No.: NA Type of Report: Publication
Abstract
This publication describes the method of countercurrent distri-
bution for isolation of tar acids in complex mixtures of high boiling
phenols. Tar acids boiling at 231-331° from a low-temperature bitu-
minous coal tar were fractionated and analyzed. The presence of 84
individual compounds was demonstrated: 24 were identifed with respect
to specific isomers and 36 with respect to structural type, the remainder
being tar acids of unknown structure. Quantification of all components
was performed.
154
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Title: Structure Determination of Pitch Resin by Catalytic Dehyrdo-
genation
Authors: C. Karr, Jr., K. B. McCaskill and J. J. Kovach
Performing Organization: Low-Temperature Tar Laboratory, Morgantown
Coal Research Center, Morgantown, WV
Sponsoring Agency: Bureau of Mines, U. S. Dept. of Interior, Morgantown,
WV
Report No./Journal: Fuel, 44, 437 (1965)
NTIS/GPO No.: NA Type of Report: Publication
Abstract
A structure determination of the benzene soluble, ethyl ether-
insoluble pitch resin from a low-temperature bituminous coal tar was
made by catalytic dehydrogenation if four different pure solvents with
subsequent examination by infrared and ultra-violet spectrophotometry.
Analaysis of the structural features indicated that the original resin
contained alcoholic OH groups of a type which could be readily converted
to ketone groups of the anthrone or quinone kind by dehydrogenation and
naphthalenic rings partially substituted with OH and methyl groups which
were attached to aromatic rings with a considerably higher degree of
substitution. The dehydrogenation of the naphthalenic rings yielded a
great increase in three or four adjacent hydrogens on aromatic rings
compared to one and two hydrogens.
155
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Title: Mass Spectra of Pyrolyzates of Several Aromatic Structures
Identified in Coal Extracts
Authors: A. G. Sharkey, Jr., J. L. Schultz and R. A. Friedel
Performing Organization: Pittsburgh Coal Research Center, Pittsburgh,
PA
Sponsoring Agency: Bureau of Mines, U. S. Dept. of Interior, Pitts-
burgh, PA
Report No./Journal: Carbon, 4, 365 (1966)
NTIS/GPO No.: NA Type of Report: Publication
Abstract
This publication presented the mass spectra of products from the
liquid phase pyrolysis of 20 hydrocarbons having 1-4 aromatic rings and
molecular weights from 116 (indene) to 228 (chrysene). The pyrolyzates
of several structural types were found in the material extracted from
Pittsburgh seam (HVAB) coal with pyridine at room temperature. The
highest mass spectral peaks of the pyrolyzates of naphthalenes, phen-
anthrenes and pyridines were 254, 354, and 402, respectively, corres-
ponding to dehydrative dimers of these compounds. The mass spectro-
metric and other data indicated that the major components of the liquid
and solid products from a low-temperature carbonization of coal have
molecular weights below 400.
156
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Title: Liquid Fuels from Tars by Carbonization of Coal in Hydrogen
Atmospheres
Authors: C. Karr, Jr., J. 0. Mapstone, Jr., L. R. little, Jr., R. E.
Lynch and J. R. Comberiati
Performing Organization: Morgantown Energy Research Center, Morgantown,
WV
Sponsoring Agency: Bureau of Mines, U. S. Dept. of Interior, Morgantown,
WV
Report No./Journal: I & EC Product Research and Development, 10, 204
(1971)
NTIS/GPO NO.: NA Type of Report: Publication
Abstract
This study was on the yield and quality of gasoline, with the
boiling range of light oil obtained by fixed-bed carbonization of coal
around 950°F in hydrogen atmospheres. The total quantities of aliphatics,
benzene, xylenes and toluenes were estimated under various reactor
conditions. The techniques employed for their analysis did not distin-
guish the individual components.
157
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Title: High Resolution Mass Spectrometric Investigation of Heteroatom
Species in Coal Carbonization Products
Authors: J. L. Shultz, T. Kessler, R. A. Friedel and A. G. Sharkey, Jr.
Performing Organization: Pittsburgh Energy Research Center, Pittsburgh,
PA
Sponsoring Agency: Bureau of Mines, U. S. Dept. of Interior, Pittsburgh,
PA
Report No./Journal: Fuel, 51, 242 (1972)
NTIS/GPO No.: NA Type of Report: Publication
Abstract
High resolution mass spectrometry was used to determine the organic
species present in coal carbonization products, airborne particulates
and municipal effluents. Qualitative analysis of a 80-85°C softening
point pitch yielded molecular formulas for 239 compounds, which corres-
ponded to a minimum of 108 structural types, and their alkyl derivatives.
Of these, 76 structural types were composed of eight different combi-
nations of elements: structures containing carbon-hydrogen, carbon-
hydrogen-oxygen, and carbon-hydrogen-nitrogen were the most numerous
while species containing S, N , ON, 0 and ON were also observed.
<• £ &* 4L
158
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Title: Identification and Determination of 1,4-Benzoquininone in Waste
Waters from the Coal Processing Industry
Author: H. Thielemann
Performing Organization: Unknown
Sponsoring Agency: German Government
Report No./Journal: Z. Wasser-Abwasser-Forschung, 7_, 91 (1974)
NTIS/GPo No.: NA Type of Report: Publication
Abstract
This study presents the determination of phenolic compounds in
waste waters from the coal working industry. An non-biodegradable and
toxic substance (1,4-benzoquinone) in waste waters from the coal pro-
cessing industry was detected by thin-layer chromatography utilizing
specific spray reagents. These reagents were: 4-aminoantipyrine,
rhodamine-B and uv. 2,6-dibromoquinonechloroamide, phosphomolybdic acid,
iodine localization and IN sodium hydroxide.
159
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Title: Analysis of Polycylic Organic Material in Coal, Coal Ash, Fly
Ash and Other Fuel and Emission Samples
Authors: A. G. Scharkey, J. L. Schultz, C. White and R. Lett
Performing Organization: U. S. Energy Research and Development Adminis-
tration, Pittsburgh Energy Research Center,
Pittsburgh, PA
Sponsoring Agency: EPA, Office of Research and Development, Industrial
Environmental Research Laboratory, Research Triangle
Park, NC
Report No./Journal: EPA-600/2-76-075
NTIS/GPO No.: PB-253-453 Type of Report: Government Document
Abstract
This report describes the investigation of the major polynuclear
aromatic hydrocarbons in samples derived from various fuel conversion
processes and related planned emissions utilizing the technique of high
resolution mass spectrometry. The particulate materials and extracts of
hydrocarbons studied in the particulate materials were collected on
filters placed in flue gas streams from coking, smelting and similar
industrial operations.
160
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Title: Gas-Liquid Chromatography of Some Alkyl Phenols
Authors: P. M. Brown
Performing Organization: West Virginia University
Sponsoring Agency: West Virginia University
Report No./Journal: Master of Science Thesis, West Virginia University
NTIS/GPO No.: none Type of Report: MS Thesis, 1957
Abstract
Low boiling phenols in low-temperature coal tar were identified and
quantiated using the technique of glc in conjunction with infrared
spectroscopy. Eighteen compounds were identfied among which were
phenol, 3 methylphenols, 3 ethylphenols, 6 dimethylphenols, trimethyl-
phenol and ethylmethylphenol. The coal used to prepare the low-tem-
perature tar was mined by the Pittsburgh Consolidated Coal Co. The tar
was prepared in a low temperature (480-510°C) fluidized bed carbonization
pilot plant at Library, PA. The tar was deashed to remove solids and
dehydrated by flashing at 175°C to remove water and other volatiles.
Thus many of the volatile organic compounds as well as organometallic
substances were not analyzed by this procedure. The procedure for stripping
the volatile constituents consisted of a rotary vacuum stripper operated
at 0.1 mm pressure and 110-125°C. Thus only the semi-volatile organics
were condensed by the water condenser. The highly volatile organic
fraction was not recovered by this procedure.
The highest concentration was 25% by weight of 2-methylphenol fol-
lowed by 22.5% of phenol. 3-Methylphenol and 2,4-dimethylphenol were
13% by weight in the tar examined.
161
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Title: Physical Properties of Low Boiling Phenols, A Literature Survey
Author: C. Karr, Jr.
Performing Organization: Morgantown Research Center, Morgantown, WV
Sponsoring Agency: Bureau of Mines, U. S. Dept. of Interior, Morgantown,
WV
Report No./Journal: Information Circular 7802, September, 1957
NTIS/GPO No.: Unknown Type or Report: Government Document
Abstract
This report contains a comprehensive survey on the physical pro-
perties of 183 different phenols boiling below 260°C. These include
phenols with various combinations of methyl, ethyl, propyl and butyl
groups as well as a few indanols and catechols.
162
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Title: Analysis of Low-Temperature Tar Phenols Boiling Up to 234°C
Authors: C. Karr, Jr., P. N. Brown, P. A. Estep and G. L. Humphrey
Performing Organization: Low-Temperature Tar Laboratory, Morgantown
Coal Research Center, Morgantown, WV
Sponsoring Agency: Bureau of Mines, U. S. Dept. Interior, Morgantown,
WV
Report No./Journal: Fuel, 3_7 227 (1958)
NTIS/GPO No.: NA Type of Report: Publication
Abstract
In this publication, the low-temperature bituminous coal tar
phenols boiling up to 234°C were identified and quantiated ty gas-liquid
chromatography. Chromatographic fractions were collected for infrared
analysis for the identification of phenols. The phenols were also
determined by the conventional technique of fractional distillation
followed by ir analysis. A comparison of the two independent techniques
was made with a fairly good agreement obtained in the quantitative
analysis of the bituminous coal tar phenols. Phenol, three cresols, six
xylenols, three ethylphenols, 2 ethylmethylphenols and two trimethyl-
phenols were analyzed.
The tar used in this work was made from a West Virginia bituminous
coal in a fludized carbonization pilot plant at about 480-510°C. The
raw tar was de-ashed, dehydrated and topped to about 175° at the plant.
A Claisen alkaline extraction technique was used on both portions of the
distillate with the phenols extracted from the low boiling portion re-
presenting about 0.08% of the tar. The phenols extracted from the main
distillate represented 3.54 weight precent of the tar.
163
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Title: Identification and Determination of Low Boiling Phenols in
Low-Temperature Coal Tar
Authors: C. Karr, Jr., P. N. Brown, P. A. Estep and G. L. Humphrey
Performing Organization: Low-Temperature Tar Laboratory, Morgantown
Coal Research Center, Morgantown, WV and
Dept. of Chemistry, West Virginia University,
Morgantown, WV
Sponsoring Agency: Bureau of Mines, U. S. Dept. of Interior, Morgantown,
WV
Report No./Journal: Anal. Chem., 30, 1413 91958)
NTIS/GPO No.: NA Type of Report: Publication
Abstract
This report describes the identification and quantitation by gas-
liquid chromatography of the low boiling phenols in a low-temperature
bituminous coal tar distillate. Phenols were also determined by the
conventional technique of fractional distillation followed by infra-red
analysis. A comparison of the two independent techniques was also made.
Thirteen phenols were compared by these two techniques as to the esti-
mated quantity (weight percent) given by each method. The agreement
between weight percentages of phenols by infra-red and vapor-phase
chromatographic analysis was within 1-3%.
164
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Title: Extraction of Tar Acids with Aqueous Monoethyanolamine
Authors: Y. C. Chang and R. C. Johannsen
Performing Organization: Bureau of Mines, Morgantown, West Virginia
Sponsoring Agency: U. S. Dept. Of Interior, Morgantown, West Virginia
Report No./Journal: Journal of the Institute of Fuel, April, 174 (1959)
NTIS/GPO No.: NA Type of Report: Publication
Abstract
Research was performed on the examination of monoethanolamine as an
effective extacting agent for tar acids from a coal-tar distillate
derived from a sub-bituminous coal. It was concluded that this reagent
improved the yield but decreased the quality as the concentration of
monoethanolamine was changed from 30-70 volume percent and the concen-
tration of the tar acid in the distillate was increased from 14-45%.
The yields varied from 9-24 volume percent of the distillate and the
neutral oil amounted to 5-40 volume percent of the extract.
The tar distillate used in this experiment was derived from a low-
temperature tar supplied by the Denver Station of Federal Bureau of
Mines. The parent coal was a sub-bituminous C coal of Smith Rowland
bed, Wyodak mine, east of Gillette, Wyoming.
Other extraction procedures cited were aqueous methanol, an aqueous
methanol and paraffinic hydrocarbon mixture and a glycerol and tri-
ethylene glycol mixture for the extraction of tar acids from coal tar
distillates. This report suggests that monoethyanolamine used for the
extraction of tar acids is superior to the alcoholic solvents; however,
extraction with caustic soda is still the best suggested ^jjproach.
165
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Title: Countercurrent Distribution of High Boiling Neutral Oils from
Low-Temperature Coal Tar
Authors: P. A. Estep, C. Karr, Jr., W. C. Warner and E. E. Guilders
Performing Organization: Morgantown Coal Research Center, Morgantown,
WV
Sponsoring Agency: U. S. Bureau of Mines, Dept. of Interior, Morgan-
town , WV
Report No./Journal: Anal. Chem., 36, 1715 (1965)
NTIS/GPO No.: NA Type of Report: Publication
Abstract
This publication describes the method of Countercurrent distri-
bution for the analysis of complex mixtures of high boiling neutral
oils. The neutral oil studied had boiling charcteristics at 275-344°C
and was obtained from a low-temperature bituminous coal tar which had
been fractionated by distillation and Countercurrent distribution in a
60 tube apparatus. The upper phase used in the CCD was iso-octane, the
lower phase was a 90 weight percent ethanol and water mixture. The
contents of each tube were analyzed by infra-red and ultra-violet spectro-
photometry. Fifty-one separate identifications were made, 19 for specific
compounds. Quantification was also performed. The classes of compounds
included aliphatics, naphthalenes, fluorenes, phenanthrenes, anthracenes,
dibenzofurans and carbazoles.
166
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Title: Evaluation of Low-Temperature Coal Tars by a Rapid Detailed
Assay Based on Chromatography
Authors: C. Karr, Jr., J. R. Comberiati, K. B. McCaskill and P. A.
Estep
Performing Organization: Low-Temperature Coal Tar Laboratory, Morgan-
town Coal Research Center, Morgantown, WV
Sponsoring Agency: Bureau of Mines, U. S. Dept. of Interior, Morgantown,
WV
Report No./Journal: J. Appl. Chem., 1^ 22 (1966)
NTIS/GPO No.: NA Type of Report: Publication
Abstract
This paper describes a detailed assay based primarily on both
liquid and gas chromatography which was developed for low-temperature
coal tars. Using this assay, the Ibs/ton of coal for various compounds
of commerical interest could be determined by applying the information
needed for an economic evalution of the tars in the carbonization processes
The amounts of approximately 100 individual compounds of several classes
were determined including light oil components, tar acids and tar bases
and neutral oil components such as naphthalenes and straight-chained
paraffins, and olefins as well as the total amounts of these classes in
the entire tar. Results for 6 different tars from the same coal are
decribed.
167
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Title: Ultraviolet Spectrophotometric Determination of Total Pyridines
and Quinolines in Low-Temperature Coal Tar Distillates
Authors: T. C. L. Chang and C. Karr, Jr.
Performing Organization: Low-Temperature Tar Laboratory, Morgantown,
Coal Research Center, Morgantown, WV
Sponsoring Agency: Bureau of Mines, U. S. Dept. of Interior, Morgan-
town, WV
Report No./Journal: Bureau of Mines, U. S. Dept. of Interior, Morgan-
town, WV
NTIS/GPO No.: NA Type of Report: Publication
Abstract
This publication describes an ultraviolet Spectrophotometric method
for determining total pyridines and total quinolines in coal tar dis-
tillates. The procedure calls for extracting bases from the sample with
acid and the extract is then adjusted to pH 12. The free bases are
extracted from the alkaline solution with iso-octane. Ultra-violet
spectra were obtained from the total quinolines and pyridines which were
determined by using average absorbivities from pure compounds.
168
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Title: Spectrophotmetric Determination of Small Quantities of Some
Individual Pyridine Bases by Successive Extractions
Authors: T. L. C. Chang and C. Karr, Jr.
Performing Organization: Low-Temperature Tar Laboratory, Morgantown,
Coal Research Center, Morgantown, WV
Sponsoring Agency: Bureau of Mines, U. S. Dept. of Interior, Morgan-
town, WV
Report No./Journal: Anal. Chem., 29, 1617 (1957)
NTIS/GPO No.: NA Type of Report: Publication
Abstract
A procedure is reported for determining small quantities of indi-
vidual pyridine bases in aqueous methanol solutions based on the removal
of methanol followed by two successive extractions with iso-octane.
Concentrations of the bases in these two iso-octane extracts were determined
by uv spectrophotometry. The distribution coefficient of the bases were
also calculated. Based on the distribution coefficients of the total
concentrations of the bases in the original samples, the estimated
recoveries were about 90-100%. This method has been applied successfully
to pyridine, a-picolene, 2,3-lutidine and quinoline. This paper is
primarily concerned with the optimal conditions for the extraction of
bases prior to the application of the methodology to low-temperature
coal tar distillates.
169
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Title: Spectrophotometric Analysis of the Distillable Low-Temperature
Tar Bases
Authors: C. Karr, Jr. and T. C. L. Chang
Performing Organization: Bureau of Mines, Morgantown, WV
Sponsoring Agency: U. S. Dept. of Interior, Morgantown, WV
Report No./Journal: Journal of Institute of Fuel, December, 522 ( 1958)
NTIS/GPO No.: NA Type of Report: Publication
Abstract
This report presents a detailed analysis of a typical low-
temperature bituminous coal tar base mixture with a boiling point of up
to about 355°C. The techniques employed were fractional vacuum distillation
and spectrophotometric analysis. A total of 51 individual tar base com-
pounds was identified in the tar base mixture and their quantities
estimated. This work constitutes the first fairly comprehensive analysis
of low-temperature bituminous coal tar bases since more than 80% of the
compounds described had not been previously identified.
Infra-red and ultra-violet spectra of tar bases were the primary
method of identification of the individual components. The tar examined
by spectrometric methods used in this work was made from West Virginia,
Pittsburgh-seam, high-volatile bituminous coal from a fluidized carbonization
pilot plant operated at about 480-510°C. The raw tar was de-ashed,
dehydrated and topped to about 175° at the plant. The pH of the acid
extract containing the tar bases was adjusted to 12 with potassium
hydroxide and the resulting mixture extracted with a 1 £ portion and
three 500 ml portions of ether. Tte procedure essentially consisted of
back extraction with acid for further purification and washing with
aromatic solvents. The individual tar bases identified were
170
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2,4-dimethylpyridine, 2,3-dimethylpyridine, 3,5-dimethylpyridine,
2,4,6-trimethylpyridine, 4-isopropylpyridine, 5-ethyl-2-methylpyridine,
4-ethyl-2-raethylpyridine, 2,3-trimethylpridine, aniline, 2,6-dimethyl-4-
ethylpyridine, N,N-dimethylaniline, 3-ethyl-4-methylpyridine, 2,3,5,6-
tetramethylpyridine, 2,3-cyclopentenopyridine, 3-methylaniline, 2,3,4,
6-tetramethylpyridine, N-methyl-2-methylaniline, 3,5-diethylpyridine
(?), 2,5-dimethylaniline, 2-ethylaniline, 2,6-dimethylaniline, 3,5-
dimethylaniline, quinoline, 2-methylquinoline, 8-methylquinoline, 2,8-
dimethylquinoline, 7-methylquinoline, 6-methylquinoline, 4-methylquino-
line, 2,7-dimethylquinoline, 2,4-dimethylquinoline, 2,6-dimethylquin-
oline, 2-phenylpyridine, 2,4,8-trimethylquinoline, 2,6,8-trimethylquino-
line, 4,6-dimethylquinoline (?), 4-phenylpyridine, 2-methyl-6-phenyl-
pyridine (?), 2,4,7-trimethylquinoline, 2 ,4,6-trimethylquinoline, 3,4-
dimethylquinoline (?), 2-naphthylamine, N-benyl-2-methylaniline, N-
benzyl-4-methylaniline, benzo[h]quinoline (7,8-benzoquinoline), acri-
dine, phenanthridine, benzo[f]quinoline, 2,4-dimethylbenzo[h]quinoline
(?), 2,4-dimethybenzo[g]quinoline(?), and 2,4-dimethyl-benzo[f]quinoline
(?).
Quantitative analysis of low-temperature tar bases indicated a
weight percentage range for individual components of 0.01 (2,3-dimethyl-
pyridine) to 3.41 (2,4,6-trimethylquinoline).
171
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Title: Infrared Spectral-Structural Correlations of Quinolines
Authors: C. Karr, Jr., P- A. Estep and A. J. Papa
Performing Organization: Morgantown Coal Research Center, Morgantown,
WV
Sponsoring Agency: Bureau of Mines, U. S. Dept. of Interior, Morgan-
town, WV
Report No./Journal: J. Am. Chem. Soc., 8j_, 152 (1959)
NTIS/GPO No.: NA Type of Report: Publication
Abstract
This publication describes the relationships for the out of plane
hydrogen deformation vibrations in benzenes, naphthalenes, pyridines and
quinolines. The purpose of this spectral-structural correlation of
quinolines was to aid in the characterization of high boiling, low-
temperature bituminous coal tar base distillate fractions consisting of
polymethylquinolines. The authors of this article undertook this study
with the realization that over 100 isomeric possibilities existed with
very few published spectra and no practical possibility of synthesizing
all of these compounds. However, only 9 quinolines were synthesized to
supplement the few spectral data available from the literature.
172
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Title: Identification of Distillable Tar Acids and Tar Bases from a
Low-Temperature Bituminous Coal Tar
Authors: C. Karr, Jr., P- A. Estep, T. C. L. Chang and J. R. Comberiati
Performing Organization: Morgantown Energy Research Center, Morgantown,
WV
Sponsoring Agency: Bureau of Mines, U. S. Dept. of Interior, Morgan-
town, WV
Report No./Journal: Bulletin 591 (1961)
NTIS/GPO No.: Unknown Type of Report: Government Document
Abstract
This 228 page document contains information on the extensive character-
ization which was conducted on tar acids and tar bases in a
low-temperature bituminous coal tar. Approximately 130 individual
compounds were identified mostly with respect to individual isomers and
their amounts were determined or estimated in nearly all instances. This
report presents detailed descriptions of the separation and quali-
tative and quantitative procedures for the characterization of the tar
acids and bases. These procedures included micro-vacuum fractional
distillation, infra-red and ultra-violet spectrofluroimetry, gas-liquid
chromatography and countercurrent distribution. Furthermore, descrip-
tions are presented for the synthesis of authentic specimens of tar
acids and tar bases. An appendix in this report contains the ultra-
violet and infra-red spectra of 189 individual tar acids and tar bases.
The predominance of this information was obtained prior to the advent of
gas-liquid chromatograph/mass spectrometer combinations.
173
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Title: Bibliography of Tar Bases: Analysis, Production, Synthesis and
Utilization
Author: H. W. Wainwright
Performing Organization: Low-Temperature Tar Research Unit, Morgantown
Coal Research Center, Morgantown, WV
Sponsoring Agency: Bureau of Mines, U. S. Dept. of Interior, Morgan-
town, WV
Report No./Journal: Information Circular 8128 (1962)
NTIS/GPO No.: Unknown Type of Report: Government Document
Abstract
This report is a bibliography consisting of literature and patent
references from the years 1945-1961 and is divided into the following
headings: analysis and composition, production, synthesis and utiliza-
tion, and separation, purification an properties of constituents in low-
temperature coal tar bases. The author indicates that, although over
1,000 references are included, this may not be a comprehensive survey.
174
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Title of Project: Pollutants from Synthetic Fuels Processes
Investigator: Forest Mixon
Specialty: Chemical Engineer
Performing Agency: Research Triangle Institute, Research Triangle
Park, NC 27709
Supporting Agency: Environmental Protection Agency, Industrial
Environmental Research Laboratory, Research
Triangle Park, NC 27711
Agency's Number(s): Unknown
Project Period: 10/1/76 - 9/30/79 Funds: FY76, 77, and 78
Unknown
Summary
The Research Triangle Institute under this program is conducting
for the EPA a major research program to study potential pollutants from
synthetic fuels operations. The purpose of the research is to develop a
fundamental understanding of those factors and conditions which cause
the production of environmental pollutants in Synfuels processes and to
provide to EPA and to the scientific and technical community the informa-
tion needed to guide the control of potentially hazardous materials from
Synfuels plants of the future.
The research program includes both an experimental and an analyti-
cal study. The experimental study includes first the design, fabri-
cation and operation of one or more laboratory reactors to simulate
conditions which may be utilized in action Synfuels plants; second, the
development and implementation of chemical analysis procedures for the
evaluation of elements and compounds that result from Synfuel reactors;
third, the screening of the major coals which are available in the U. S.
175
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and characterization of compounds as dependent upon reactor parameters
and input coal; and fourth, the determination of the kinetics of formation
of the pollutants of significance.
The analytical study provides for utilizing results of the screening
tests to project potential human exposure to effluents and emissions
from these plants and to establish priority ratings for the various
pollutants based upon the extent to which projected exposures are hazar-
dous. The analytical study also provides for an understanding of the
reaction kinetics with the view of producing the controls necessary for
Synfuels plants.
176
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Title of Project: Environmental Effects from Leaching of Coal Conversion
By-Products
Principal Investigator: W. Van Meador and R. Erickson
Specialty: Unknown
Performing Agency: University of Montana; Missoula, MT
Supporting Agency: U. S. Environmental Research and Development
Administration
Agency's Number(s): Unknown
Project Period: 6/17/75 - 6/17/78 Funds: FY75 - $74,948
Summary
This program proposes to conduct tests which will characterize the
ash and slag materials with regard to the amounts of the more toxic
chemical elements that will be released and the rates at which they are
released into the environment. Selection of elements to be leached in
the hazardous ash dumps have been made from tabulations under the follow-
ing criteria:
(a) The relative toxicity of the element
(b) The relative concentration of the element in the coal
(c) The likelihood that the element will remain in the ash.
177
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Title of Project: Profiling Trace Elements in Resources and Processes
Involving Water, Coal and Air
Principal Investigator: D. Tolmin, J. Knoeck, J. C. Glass, R. D. Koob,
and D. Doyle
Specialty: Unknown
Performing Agency: Department of Chemistry, North Dakota State
University, Fargo, ND 58102
Supporting Agency: U. S. Department of Interior; Office of Water
Research and Technology
Agency's Numher(s): Unknown
Project Period: 7/1/74 - 6/30/75 Funds: FY75 - $31,600
Summary
The proposed research program involved the determining of trace
metal composition of the lignite coal mine in the region near south-
western North Dakota and establishing the extent to which such consti-
tuents are transferred from the lignite to the water used in the gasifi-
cation process. The techniques of atomic absorption spectrometry,
anodic stripping, voltametry and x-ray fluorescence spectrometry were
employed to determine the trace metal composition of: (1) regional
water prior to utilization in the gasification process; (2) lignite coal
mine in the region; (3) residue remaining after gasification; (4) regional
waters after utilization in the gasification process; and (5) stack
emissions from gasification plants. The program objectives were to
provide a trace metal profile developed for the gasification process and
to assess the impact of coal gasification on the trace metal content of
water in the West River of North Dakota.
178
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Title of Project: A Survey of Trace Elements in North Dakota Lignite
and Effluent Streams from Combustion and Gasification
Facilities
Principal Investigator: D. N. Bari
Sp e c i a1ty: Unknown
Performing Agency: Engineering Experimental Station; University of
North Dakota; Grand Forks, ND 58201
Supporting Agency: North Dakota State Water Commission, Bismark, ND
Agency's Number(s): Unknown
Project Period: 5/1/74 - 7/31/75 Funds: FY74 - Unknown
Summary
One of the concerns of this program is the possible emission into
the environment of toxic trace elements originally in the lignite during
burning or gasification of lignite in the western part of the state.
The trace elements known to be toxic in small amounts are arsenic,
beryllium, cadmium, fluorine, lead, mercury and selenium. A survey was
to be made of the trace element concentrations in lignites from various
North Dakota sources. A survey was made of the work done on the distribu-
tion of trace elements in the effluent streams of coal-fired power
plants and coal gasification plants. The conclusion according to this
program is that for the average amount of mercury present in the lignite,
mercury emission in air will be well below the present federal standards.
179
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Title of Project: In Situ Coal Gasification
Principal Investigator: C. F. Bradenburg and G. G. Campbell
Specialty: Unknown
Performing Organization: U. S. ERDA, Laramie Research Center, Laramie,
WY, and Sandia Laboratories
Supporting Agency: U. S. Environment Resesarch and Development
Administration, Washington, DC
Agency's Number(s): Unknown
Project Period: 7/1/72 - 7/1/82 Funds: FY74 - $686,000
FY75 - $1,576,000
FY76 - $2,800,000
Summary
The first in situ coal gasification experiment in Wyoming was
conducted at Hanna from March, 1973 through March, 1974. From September,
1973 through March, 1974, gas production averaged 1.6 mm standard cubic
feet per day of 126 but per standard cubic foot of gas. An energy
balance for this period indicated four times more energy produced than
consumed in operating the experiment.
180
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Title of Project: Characterization of Coal for Open Cycle MHD Power
Generation System - Task A
Principal Investigator: F. E. Diebold
Specialty: Engineering
Performing Agency: Montana State College of Mineral Sciences and
Technology, Butte, MT
Supporting Agency: U. S. Energy Research and Development Administration
Office of Fossil Fuels, Washington, DC
Agency's Number(s): Unknown
Project Period: 4/1/75 - 7/30/76 Funds: FY75 - $118,340
Summary
This program attempted to study and characterize in detail the
McKay Simcol to assess its applicability to performance in direct coal
fired MHD electrical generation systems. Emphasis was placed on method
development for sample analysis coupled with the development of a scheme
for geological/chemical mapping. Major inorganic constituents of the
coal ash (aluminum, calcium, iron, potassium, magnesium, sodium, silicon
and titanium) and trace elements of the coal ash (silver, arsenic,
boron, barium, beryllium, cadmium, cobalt, chromium, cesium, copper,
gallium, mercury, lanthium, lithanum, manganese, nickel, phosphorus,
lead, rubidium, selenium, tin, strontium, uranium, vandium, zinc) were
to be analyzed.
181
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Title of Project: Develop Methods to Characterize Heavy Liquids from
Fossil Fuel Energy Sources
Principal Investigator: D. R. Lanthum
Specialty: Unknown
Performing Agency: U. S. ERDA; Laramie Research Center; Laramie, WY
Supporting Agency: U. S. ERDA; Washington, DC
Agency's Number(s): Unknown
Project Period: 7/1/66 - Indefinite
Summary
The objectives of this project are: (1) to develop separation
methods to prepare analytically significant fractions from petroleum
residues, tar sand bitumens and liquids from coal and oil shale; (2) to
develop techniques to characterize the major compound types in each
fraction; (3) to develop information on compound type relationships
among the fossil fuel energy sources; and (4) to apply this information
in solving the problems of efficient utilization of these materials as
an energy source. A separation/characterization method that was developed
for high boiling petroleum distillates will be tested under this program
and modified and applied to the materials listed above. The characteri-
zation data obtained are needed in efficiently utilizing the materials
in environmental and exploration studies.
182
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Title of Project: Waste Water Effluents for the Synthane Coal
Gasification Process
Principal Investigator: R. W. Dunlap and M. J. Massey
Performing Organization: Carnegie-Mellon University, Institute of
Technology, Frew Avenue and Margaret Morrison,
Pittsburgh, PA 15213
Supporting Agency: U. S. Department of Intrior, Bureau of Mines
Agency's Number(s): Unknown
Project Period: 7/74 - 2/75 Funds: FY75 - Unknown
Summary
This program utilized the Bureau pilot plant (Synthane oxygen steam
coal gasifier) and determined the effects of coal reaction temperature
and residence time on the quantity of tar and aqueous effluent produced
during gasification. Three types of injection geometry of the coal into
the gasifier were studied. In each series of experiments, the quantities
of tar and aqueous condensates leaving the gasifier were measured. The
compositions of each of these condensates was determined, e.g., ammonia,
phenol, COD, POD, ACN, etc. The specific component identification of
organics and elemental substances under this project is not indicated.
183
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Title of Project: Characterization of Ash from Various Coal Gasifi-
cation Processes
Principal Investigator: R. D. Harvey and J. Yeruskhalmi
Specialty: Unknown
Performing Agency: State Geological Survey, National Resources Bldg.,
Urbana, IL 61801
Supporting Agency: City University of New York
Agency's Number(s): Unknown
Project Period: 7/74 - 6/75 Funds: FY75 - Unknown
Multi-support
Summary
The proposed program will investigate structural mineralogy and
chemical characteristics of coal and agglomerates of ash and clinkers
produced in various stages of operation of three foreign Ignifluid
boilers. The aim of the study is to determine if the coals used and the
ash material produced will have unique properties that should dictate
caution in the operation of an Ignifluid boiler using Illinois coals.
The mechanism of the formation of the ash agglomerates and the distri-
bution of the composition of the glassy matrix and of the various types
of enclosed fragments are proposed for study. The analytical techniques
to be used are: polarized light microscopy and electron microscopy with
x-ray spectrographic analyses.
184
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Title of Project: Environmental Aspects of Slagging Fixed Bed Coal
High BTU Gasification Process
Principal Investigator: R. C. Helman, M. M. Fegley and S. A. Codey
Performing Agency: U. S. Energy Research and Development Administration
Grand Forks Energy Research Center, Grand Forks, ND
58201
Agency's Number(s): Unknown
Project Period: 1/1/74 - indefinite Funds: FY75 - $230,000
Summary
The objectives of this program are to determine the type, amount
and pollution aspects of liquid, gaseous and particulate effluents pro-
duced in the high BTU gasification of western coals in a slagging fixed
bed gasifier. The organic constituents in these effluents are proposed
to be analyzed by gas chromatography/mass spectrometry.
185
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Title of Project: Slagging Fixed Bed Coal Gasification
Principal Investigator: R. C. Ellman
Performing Agency: U. S. ERDA, Grand Forks Energy Research Center,
Grand Forks, ND 58202
Supporting Agency: U. S. ERDA
Agency's Number(s): Unknown
Project Period: 7/1/74 - 6/30/80 Funds: FY75 - $180,000
FY76 - $600,000
Summary
The objectives of this program are to operate a fixed bed slagging
coal gasification unit to study the effluents during operation with
lignite and other low rank coals; to develop methods to reduce adverse
environmental effects from water usage; to determine gasification char-
acterics of selected western coals and to develop techniques to reduce
or remove limitations of particle feed size and moisture content in
fixed bed gasification systems.
186
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Title of Project: Coal Hydrogenation and Hydrocracking Using a Metal
Chloride Gaseous AGL Catalyst System
Principal Investigator: F. P. McCandless
Specialty: Engineering
Performing Agency: Montana State University, Department of Chemical
Engineering, Bozeman, MX 59715
Supporting Agency: National Science Foundation, Washington, DC
Project Period: 7/1/75 - 6/30/77 Funds: $55,959
Summary
This program is primarily concerned with the examination of the
optimum criteria for the hydrogenation and hydrocracking of coal. One
of the objectives of this program includes the complete characterization
of liquid, gas and unreacted coal products during the energy conversion
process. The analytical tools to be employed for analysis of these by-
products are not indicated nor does it indicate whether elemental or
organic compounds will be examined.
187
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Title: Characterization of Effluents from Coal Fired Utility Boilers
Authors: B. G. McKinney and H. B. Flora
Performing Organization: Tennessee Valley Authority, Power Research
Staff, Chattanooga, TN 37401
Sponsoring Agency: Control Systems Laboratory, Environmental Pro-
tection Agency, Research Triangle Park, NC 27711
Report No./Journal: Quarterly Progress Report Nos. 1-5 for the periods
July 25, 1975 to July 25, 1976
NTIS/GPO No.: None Type of Report: Quarterly
Abstract
The objectives of this project are to: (1) characterize coal pile
drainage; (2) assess the effect of pH adjustment on ash pond effluent;
(3) assess and then design an effective program for monitoring ash pond
effluent; (4) evaluate chlorinated water effluent quality from an once
thorough cooling system; (5) assess, characterize and quantify coal ash
leachate effects on ground water quality; and (6) study gaseous and
particulate emissions from several types of boilers. The project scope
included: (1) characterization and quantification of the chemical and
physical components of coal pile drainage; (2) assessment and quantifi-
cation of the chemical and physical composition of ash pond effluent
after the pH of the ash pond had been adjusted; (3) evaluation of an ash
monitoring program to determine the sample necessary to obtain reliable
qualitative and quantitative information; (4) assessment, characterization
and quantification of coal ash leachage effects on ground water; (5)
quantification and evaluation of chlorinated effluent from once through
cooling systems; and (6) characterization of gaseous and particulate
effluents from tangential wall fired and cyclone units.
188
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This program has presented in these reports the characterization of
many elemental compounds for the various circumstances described above.
189
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Title: Trace Elements in a Combustion System
Authors: R. W. Coutant, J. S. McNulty and R. D. Giammar
Performing Organization: Battelle Columbus, 505 King Avenue, Columbus,
OH 43201
Sponsoring Agency: Electric Power Research Institute, 3412 Hillview
Avenue, Palo Alto, CA 94303
Report No./Journal: EPRI-122-1
NTIS/GPO No.: None Type of Report: Final, January, 1975
Abstract
The objective of this program was to determine the distribution of
12 trace elements: As, Be, Cd, Cr, Cu, Hg, Mn, Ni, Pb, Se, V and Zn
among the products of combustion from four types of coal which were
burned in the Battelle multifuel furnace facility which simulates the
time-temperature profiles typical of a conventional station. This
report states that the more volatile trace elements As, Hg, Pb and Se
tended to concentrate in the products that would be emitted normally
from the stack. The less volatile elements were distributed more or
less uniformly in the slag, ash deposit and precipitator catches. This
study addressed only elemental analysis; the characterization of the
organic constituents in these by-products was not performed. The instru-
mental techniques used for determining the elements were not discussed.
190
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Title: Characterization and Utilization of Municipal and Utility
Sludges and Ashes. Vol. Ill: Utility Coal Ash
Authors: N. L. Hecht and D. S. Duvall
Performing Organization: University of Dayton Research Institute,
300 College Park Dr., Dayton, OH 45469
Sponsoring Agency: National Environmental Research Center, Office
of Research and Development, U. S. Environmental
Protection Agency, Cincinnati, OH 45268
Report No./Journal: EPA-670/2-75-033C
NTIS/GPO No.: PB-244-312 Type of Report: Final Government Technical
Abstract
This research program defined the nature of the coal ash, i.e. ,
the quantities produced and the locations of the major utilities genera-
ting the coal ash. Data are presented on the inorganic composition of
ash consisting primarily of the following inorganic compounds: silicon
dioxide, aluminum oxide, ferric oxide, titanium dioxide, phosphorus
pentoxide, calcium oxide, magnesium oxide, sodium oxide, potassium oxide
and sulfite. Data on these inorganic compounds are listed for electric
utilities utilizing coal in the New England mid-Atlantic, east North
Centra., west North Central, South Atlantic, east South Central, west
South Central, mountain and Pacific States. Also included are the major
chemical constituents of coal ash which are primarily the elemental
compounds, silica, aluminum, iron, calcium, magnesium, titanium, potas-
sium, sodium, boron, phosphorus, manganese, molybdenum, zinc, copper,
mercury, uranium, and thorium.
191
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Title: Characterization and Utilization of Municipal and Utility
Sludges and Ashes. Vol. I: Summary
Authors: N. L. Hecht and D. S. Duvall
Performing Organization: University of Dayton Research Institute,
300 College Park Ave., Dayton, OH 45469
Sponsoring Agency: National Environmental Research Center, Office
of Research and Development, U. S. Environmental
Protection Agency, Cincinnati, OH 45268
Report No./Journal: EPA-670/2-75-033A
NTIS/GPO No.: PB-244-310 Type of Report: Final Government Technical
Abstract
Burning of coal produces an ash residue which is derived from the
inorganic material constituents in the coal and the organic material not
completely burned. In coal burning utility boilers, the coal ash resi-
due is collected from the bottom of the boiler unit (bottom ash) and
from the air pollution equipment through which the stack gases pass (fly
ash). The largest concentration of power plants is in the mid-Atlantic
and the east north central states. There are a very few coal burning
power plants west of the Mississippi River.
The coal ash residues recovered from the boiler units are primarily
iron, aluminum, and silicates with additional amounts of lime and magne-
sium, sulfur trioxide, sodium oxide, potassium oxide and carbon. This
summary presents an average chemical analysis for coal ash.
192
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Title: Southwest Energy Study Coal Research Work Group. Part I:
Coal Resources and Reserves of the Southwestern United States.
Part II: Composition and Trace Element Content of Coal and
Power Plant Ash
Authors: P. Averitt, A. V. Bailey, G. H. Horn, A. A. Mattila, J. W.
Moffitt, A. B. Nichelson, W. C. Sheldon, M. T. Smith and
J. B. Storrs
Performing Organization: U. S. Geological Survey
Sponsoring Agency: U. S. Dept. of Interior
Report No./Journal: Appendix J, January, 1972
NTIS/GPO No.: Unknown Type of Report: Technical Government
Report on the Coal
Resources Work Group
Abstract
The specific objective of this study was to examine the elemental
and inorganic composition of coal that is burned or to be burned at the
ten major electricity generating plants and fly ash and bottom ash. The
five power plants that were studied were: Four Corners, NM, Cholla, AZ,
Mohave, NV, Hayden, CO and Naughton, WY. Also five power plants which
are planned or under construction are listed. These are: San Juan, NM,
Navajo, AZ, Kaiparowits, UT, Huntington Canyon, UT and Jim Bridger, WY.
The source and geological designation of seventy-one coal samples that
were chemically analyzed were presented.
The methods used for elemental analysis were: wet chemical, x-ray
fluorescence, spectrographic, atomic absorption, selected ion electrode
and neutron activation techniques. A comparison between these techniques
in the analysis of the various coals and fly ash material is also included
193
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Sixteen samples of fly ash and furnace bottom ash from the five
power plants were analyzed for 46 elements. The conclusion from these
data is that the analysis reveals that large amounts of the critical
elements are trapped in the fly ash by the scrubbers and precipitators
in the stack. Only relatively small amounts of these elements accumulate
in the bottom ash. The elements markedly concentrated in fly ash rela-
tive to bottom ash were antimony, arsenic, fluorine, mercury, selenium,
tellurium and thallium. Copper, chromium, molybdenum, nickel, lead and
vanadium as well as boron, gallium, scandium and to a slight degree
sulfur were also found concentrated in fly ash relative to bottom ash.
No attempt was made to analyze for or to evaluate the possible
formation of hydrocarbons, mercaptans or similar organic components that
might not be combusted and therefore escape into the final effluents.
A schematic was presented on the cycle of materials into and the products
out of the power plant. The materials into the power plant were oxygen,
coal and water. The materials out were ash, gaseous material and vola-
tiles, processed water, heat and electricity. The ash can be divided
into fly ash and bottom ash, which normally is dumped into strip pits.
Associated with the strip pits is natural water drainage. Some of the
processed water may be recycled as water input into the power plant with
a portion lost as steam through evaporation or as an ash slurry or
through seepage.
194
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Title: The Impact of Coal-Fired Power Plants on the Environment
Authors: James L. Clapp, Daniel E. Willard and Richard J. Timm
Performing Organization: Environmental Monitoring and Data Acquisi-
tion Group, Institute for Environmental
Studies, University of Wisconsin, Madison
and State of Wisconsin Public Service
Commission Medical College of Wisconsin
Sponsoring Agency: U. S. Environmental Protection Agency
Report No./Journal: EPA Grant R803971010
NTIS/GPO No.: Unknown Type of Report: Technical Quarterly
Progress Report, July 21-
November 1, 1975
Abstract
The study site is a 527,000 kilowatt coal-fired electric generating
station at the Columbis Plant site located four miles south of the city
of Portage, WJ[ in the west central portion of Columbia county. The
plant is a joint venture between Wisconsin Power and Light Co., Madison
Gas and Electric Co. and the Wisconsin Public Service Corp.
The report discusses aquatic chemistry, trace chemical analysis,
aquatic invertebrates and fish, ecology for plants and vertebrates,
hydrogeology, air pollution modeling, plant vegetation damage, meteoro-
logy, land use, visional changes and esthetics and hazardous chemicals
in fish.
In this report the analysis of fly ash was presented from each of
three stages of the precipitator which was used at the power plant site.
It was the purpose of these analyses to characterize the fly ash being
discharged into the ash pond. The fly ash from the first stage
195
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precipitator was being sold for commercial use, while the material from
the last two stages was slurried with the water and pumped into the ash
pond. A total of 3JZ elements was quantitated in the first, second and
third stages of the precipitator. The concentration of trace elements
in the samples of suspended particulate matter collected from the ash
pond and its drainage system was also determined. A total of 28 ele-
ments was analyzed. All of the analyses reported used instrumental and
radiochemical neutron activation.
196
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Title: Contribution of Major and Minor Elements to Soils and Vegeta-
tion by the Coal-Fired Four Corners Power Plant, San Juan
County, NM
Authors: H. L. Cannon and V. E. Swanson
Performing Organization: U. S. Geological Survey, Denver, CO 80225
Sponsoring Agency: U. S. Dept. of Interior, Washington, DC
Report No./Journal: 75-170
NTIS/GPO No.: Unknown Type of Report; Draft Report, 1973
Abstract
The major components in the ash from the four corners coal-fired
power plant in San Juan County, NM were found to be potassium oxide,
calcium oxide, magnesium oxide, aluminum oxide, silicon dioxide, sodium
oxide and iron oxide. Many minor elements were also determined in-
cluding antimony, arsenic, fluorine, mercury, selenium, tellurium,
uranium and zinc, which was found to be enriched in the fly ash relative
to bottom ash or coal.
The analytical methods which were used in this program for the
determination of elements were: emissipn spgctroscopy, spectrophoto-
metry, atomic absorption, specific ion electrodes, elemental analyzer,
flame photometer, combustion iodometric titration, x-ray spectroscopy,
catalysis and neutron activation.
197
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Title: Pathways of Thirty-Seven Trace Elements Through Coal-Fired
Power Plant
Authors: D. H. Klein, A. W. Andren, J. A. Carter, J. F. Emery,
C. Feldman, W. Fulkerson, W. S. Lyon, G. C. Ogle,
Y. Talmi, R. I. Van Hook and N. Bolton
Performing Organization: Oak Ridge National Laboratory, Oak Ridge,
Tennessee 37830
Sponsoring Agency: Unknown
Report No./Journal: Environmental Science and Technology, 9^, 973
(1975)
NTIS/GPO No.: None Type of Report: Literature Publication
Abstract
This paper describes the analysis of a suite of elements in coal,
fly ash, slag and combustion gases from a large cyclone-fed power plant.
Mass balance data for the 37 elements were obtained on the T.A. Allen
Steam Plant in Memphis, TN, a part of the Tennessee Valley Authority
Electrical Generating System. Mercury, selenium and chlorine and bromine
were discharged to the atmosphere as gases. Arsenic, cadmium, copper,
gallium, molybdenum, lead, antimony, selenium and zinc were concentrated
in fly ash compared to the slag and were more concentrated in the ash
discharged through the stack than in that collected by the precipitator.
Aluminum, Ba, Ca, Ce, Co, Eu, Fe, Hf, K, La, Mg, Mn, Rb, Sc, Si, Sn, Sr,
Ta, and Ti showed little preferential partitioning between the slag and
the collected discharge fly ash.
198
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No analysis for organic components was presented. The analytical
techniques employed were: neutron activation analysis for most of the
elements and isotope dilution spark-source mass spectrometry for Cd, Pb
and Zn and flameless atomic absorption for Hg. The Se analyses were
done by a newly developed method, gas chromatography with microwave
emission spectrometric detector. Copper, Ga, Ni and Sr were determined
by a new absolute high sensitivity x-ray fluorescence technique using
monochromatic x-rays for excitation.
199
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Title: Coal-Fired Power Plant Trace Element Study: A Three Station
Comparison
Authors: F. G. Mesich and K. Schwitzgebel
Performing Organization: Radium Corporation, Austin, TX
Sponsoring Agency: U. S. Environmental Protection Agency, Region VIII
Denver, CO
Report No./Journal: Vol. I (TS-la)
NTIS/GPO No.: Unknown Type of Report: Annual, September, 1975
Abstract
This report summarizes the results of the determination of trace
elements in coal ash, fly ash and vapors in the flue gas of three coal-
fired electric generating stations.
A material balance approach was used for quantitating 27_ elements
in the coal-fired generating station and 2J> additional elements were
determined semi-quantitatively. Samples which were analyzed quanti-
tatively (27 trace and minor elements) were determined by the following
techniques: (a) atomic absorption spectroscopy; (b) x-ray fluorescence;
(c) ion selective electrodes; (d) fluorimetry; and (e) colorimetry. The
sample types which were examined at the three plants were: coal, coal
ash and sludge, lime, and aqueous effluent including a WEP liquor.
Semi-quantitative analyses for 53 elements were obtained by spark-source
mass spectrometry.
Station 1 plant consisted of four individual units with a genera-
ting capacity of 750 MW fired with Wyoming sub-bituminous coal. Unit
No. 4 was sampled for this program. Station 2 contained a 350 MW boiler
tangentially fired with Wyoming sub-bituminous coal. Station 3 was
200
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fired with a North Dakota lignite in a 250 MW cyclonic boiler with
mechanical cyclone particulate collectors.
201
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Title: Coal-Fired Power Plant Trace Element Study: Station 1, 2
and 3
Authors: F. G. Mesich and K. Schwitzgebel
Performing Organization: Radium Corporation, Austin, TX
Sponsoring Agency: U. S. Environmental Protection Agency, Rocky
Mountain Prairie Region, Region VIII, Denver, CO
Report No./Journal: Vol. II (Ts-lb)
NTIS/GPO No.: Unknown Type of Report: Annual, September, 1975
Abstract
This volume is one of four volumes comprising the document des-
cribed as coal-fired power plant trace element study prepared for EPA
under Contract 68-01-2663. A description of the overall program was
provided in the previous abstract.
202
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Title: Trace Element Study in a Pulverized-Coal-Fired Power Plant
Authors: J. Kaakinen
Performing Organization: Department of Chemical Engineering, Univ.
of Colorado, Boulder, CO
Sponsoring Agency: National Science Foundation (RANN) , Washington, DC
Report No. /Journal: University Microfilms Ann Arbor, MI 48106
University Microfilms No. 75-3795
NTIS/GPO No.: Unknown Type of Report: Thesis, Ph.D.
Abstract
A study of 1$5 elements in the inlet coal and the outlet water in
ash streams including flow gas particulates of a coal-fired power plant
was performed. Mass balance data were obtained within +10% for 9 elements;
aluminum, iron, copper, zinc, rubidium, strontium, yttrium, zirconium,
and niobium, as well as for four trace substances; mercury, plutonium,
lead and radium. Samples were obtained from Unit No. 5 of the Valmont
Power Station located near Boulder, CO which is owned by the Public
Service Co. of Colorado.
The analytical techniques used for determining the elemental com-
position of effluents from the coal fired power plants were: (1) colori-
metric wet chemistry (molybdenum); (2) atomic absorption spectrophotometry
(iron and aluminum); (3) x-ray fluorescence spectroscopy (iron, copper,
zinc, gallium, arsenic, selenium, rubidium, strontium, yttrium, zirconium,
molybdenum, tin, lead, Nb, Sb and other elements) and (4) radioisotopic
, _ . . ,_. 210U , D ,
determination ( Pb , Mo and Ra ) .
This study presents chapters which idscuss the following: (1)
power plant site and sample collection; (2) sample preparation and
analysis results; (3) mercury: measurements, results and discussion;
203
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(4) mass balances of trace elements; (5) trace element distribution
patterns; (2) mechanism for observed volatilization and enrichment of
elements; and (7) trace element removal performance of the control
devices used.
204
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Title: Spark Source Mass Spectrometer Investigation of Coal Particles
and Coal Ash
Authors: T. Kessler, A. G. Sharkey, Jr. and R. A. Friedel
Performing Organization: Pittsburgh Energy Research Center, Pitts
bugh, PA
Sponsoring Agency: U. S. Department of Interior
Report No./Journal: TPR-42
NTIS/GPO No.: Unknown Type of Report: Government Technical
Progress Report
Abstract
Spark source mass spectrometry was used to determine the amounts of
minor and trace elements in coal particles of various sizes including
those in the respirable range (< 5 microns). Fifty-six elements ranging
in concentration from 0.1 ppm wt. - 5,000 ppm wt. were determined. The
investigation of coal and coal ash showed that the organic material in
coal does not interfere with the spark source determination of the
various elements.
205
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Title: Fate of Some Trace Elements During Coal Pretreatment and
Combustion
Authors: A. Schultz, E. A. Hattman and W. B. Booher
Performing Organization: Dept. of Interior, Pittsburgh, PA 15213
Sponsoring Agency: EKDA
Report No./Journal: Trace Elements in Fuel, pg. 139-153, Publisher:
American Chemical Society, Washington, DC, 1975
NTIS/GPO No.: None Type of Report: Adv. in Chemistry Series 141
Abstract
This program presents results on studies which have shown that it
is possible to remove many of the potentially toxic trace elements pre-
sent in coal when the mineral matter is produced by coal washing. As
part of the program, analytical chemical techniques have been developed
to determine Hg, Cu, Cr, Mg, Ni, Cd, Pb and F in coal and fly ash.
206
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Title: New Knowledge Concerning the Properties of Fly Dust from
Coking Plants, No. 4. Bituminous Coal Tar Distillation Plants
Authors: V. Masek
Performing Organization: Unknown
Sponsoring Agency: Unknown
Report No./Journal: Zentralbl. Arbeitsmed. Arbeitsschutz, Vol. 22,
11, pg. 323-337, 1972
NTIS/GPO No.: None Type of Report: Literature Publication
Abstract
At twenty locations of three Czechoslovakian coal tar distillation
plants, the concentration of dust and of 3,4-benzpyrene in the fly dust
were determined.
207
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Title of Project: Study of Disposal of By-Products from Throw Away
Desulfurization Systems
Principal Investigator: J. Meltzer and J. Rossoff
Specialty: Unknown
Performing Agency: Aerospace Corporation, P. 0. Box 95085, Los
Angeles, CA 90045
Supporting Agency: U. S. Environmental Protection Agency, Control
Systems Lab Division, Research Triangle Park, NC
27711
Agency's Number(s): Unknown
Project Period: 7/75 - 11/76 Funds: FY76 - Unknown
Summary
In this study the Aerospace Corporation is conducting laboratory
experimentation and engineering surveys and analyses regarding the
disposal of desulfurization sludges from coal burning power plants. The
physical characterization of the sludges to evaluate the potentially
toxic hazards posed in processing or procedures that may be performed in
subsequent handling, disposal or utilization of the sludge. The sludges
to be examined will be obtained from plants burning eastern and western
coal and using limestone, lime and a double alkaline absorbent material
for the desulfurization process.
208
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Title of Project: Methods of Analysis of Liquid Effluent from Car-
bonization Plants
Principal Investigator: R. L. Cooper and J. D. Norris
Specialty: Environmental Studies Section
Performing Agency: British Carbonization Research, Chesterfield
England, United Kingdom
Supporting Agency: United Kingdom
Agency's Number(s): Unknown
Project Period: 7/74 - 6/75 Funds: FY75 - Unknown
Summary
This program is concerned with the development and assessment of
accuracies and precisions of reference and routine methods for deter-
mining organi and inorganic constituents. This will include COD, TOC,
phenols, etc., but not specific organics. The routine methods to be
studied will not include the specific constituent characterization
(organic and inorganic) in the samples.
209
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Title of Project: The Characterization of Hazardous Materials Emitted
from Coal Combustion and Conversion
Principal Investigator: G. E. Rolfe and D. F. Natusch
Specialty: Chemistry
Performing Agency: University of Illinois, School of Chemical Sciences
Urbana, IL 61801
Supporting Agency: U. S. National Science Foundation, Division of
Advanced Energy Research and Technology
Agency's Number(s): ERT-74276
Project Period: 10/75 - 12/76 Funds: FY76 - Unknown (Pre-
vious Funding for FY73,
FY74, FY75 was $125,000)
Summary
The proposed research is directed towards the characterization of
toxic materials emitted in effluents from coal conversion and combustion
operations. The specific aim is to elucidate the basic principles which
govern formation and release of toxic trace metals in carcinogenic
organic species during power generation. The analytical methodology to
be employed in this program was not delineated.
Studies currently under progress are directed towards establishing
the mechanisms whereby toxic species become associated with particulate
matter and towards establishing an environmental impact of these materials
On this basis it is concluded that most of the organic analysis will be
associated with air pollution, specifically particulate matter.
210
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Title of Project: Trace Element Effects of Energy Conversion Facilities
Principal Investigator: G. A. Christensen
Performing Agency: North Dakota State Department of Health, Division
of Environmental Engineering, Bismark, ND 58505
Supporting Agency: Old West Regional Commission, Frat Bldg., Suite 306A
Billings, Montana 59101
Agency's Number(s): 10570168
Project Period: 6/25/75 - 6/30/77 Funds: FY76 - $55,000
FY77 - $45,000
Summary
The purpose of this project is to examine the food chain aspects of
trace elements emitted from energy conversion facilities. Among the
many specific aims, one of the purposes of this program is to determine
the chemical profile of trace elements in soil reservoir from existing
coal-fired power plants. The extent of element analysis is not pro-
vided.
211
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Title: Water Pollution Potential of Mine Spoils in the Rocky Mountain
Region
Authors: D. B. McWhorter, R. K. Skogerboe and G. B. Skogerboe
Performing Organization: Departments of Agricultural Engineering and
Chemistry; Colorado State University
Fort Collins, CO
Sponsoring Agency: U. S. Environmental Protection Agency, Grant No.
R802621
Report No./Journal: Paper presented at 5th Symposium on Coal Mine
Drainage Research
NTIS/GPO No.: None Type of Report: Publication
Abstract
Water quality data on runoff, percolate, and leachate are presented
The main emphasis is placed on elemental analysis.
212
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Title: Coal and Coal Mine Drainage
Authors: J. F. Boyer and V. E, Gleason
Performing Organization: Bituminous Coal Research Incorporated
Monroeville, PA
Sponsoring Agency: Unknown
Report No./Journal: Journal Water Pollution Control Federation,
Volume 47, NO. 6, June, 1975
NT1S/GPO No.: None
Abstract
This report presents a literature review on coal and coal mine
drainage. These reviewed articles cover: (1) formation; (2) effects;
(3) abatement; and (4) treatment. The majority of the types of analyses
performed on mine drainage center on the elemental analysis of runoff
and leachates.
213
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Title of Project: Evaluation of Ground Water Pollution from Eastern
Underground Coal Mine
Principal Investigator: Unknown
Specialty: Unknown
Performing Agency: Geraghty and Miller Incorporated, Port Washington,
NY 11050
Supporting Agency: United States Environmental Protection Agency,
Cincinnati, OH
Contract No.: 68-03-2467
Project Period: Unknown Funds: FY76 - $203,800
Summary
A summary is not available on this program.
214
-------
Title: Detection of Organic Compounds in Respirable Dust
Authors: J. L. Schultz, R. A. Friedel and A. G. Sharkey, Jr.
Performing Organization: Pittsburgh Energy Research Center, Pittsburgh,
PA
Sponsoring Agency: U. S. Energy Research and Development Administration,
Pittsburgh, PA
Report No./Journal: PERC/RI-75/4
NTIS/GPO No.: Unknown Type of Report: Government Technical
Progress Report
Abstract
This report describes the use of high resolution mass spectrometry
to analyze the organic material in respiratory size coal dust and mine
dust. The objective of this project was to identify and classify the
organic compounds in respirable mine dust obtained from mining regions
of high and low incidences of coal workers pneumoconiosis. Mass spec-
tral data were obtained for 21 respirable mine dust and 6 respirable
size coal dust samples. The predominant organic material consisted of
aliphatic, perhydroaromatic, hydroaromatic and aromatic compounds as
well as oxygen and olefinic organics.
215
-------
Title: Detection of Organic Compounds in Respiratory Coal Dust by High
Resolution Mass Spectrometry
Authors: J. L. Schultz, R. A. Friedel and A. G. Sharkey, Jr.
Performing Organization: Pittsburgh Energy Research Center, Pitts
burgh, PA
Sponsoring Agency: U. S. Department of Interior
Report No./Journal: TRP 61
NTIS/GPO No.: Unknown Type .of Report: Government Technical
Progress Report
Abstract
An investigation of organic compounds in respiratory coal dust by
high resolution mass spectrometry in this report showed organic components
which differ by the particle size, rank of coal, coal of the same rank
from different coal seams and irrespirable mine dust and respirable coal
dust from the same mine. The 8 respirable mine dust samples that were
studied were from the coal seams in the Appalachian region. The molecular
weights of the major organic compounds varied greatly among these respir-
able mine dusts. Three of these mine dusts contained a high concentration
of polynuclear aromatic hydrocarbons.
216
-------
Title: A Survey of the Most Recent Applications of Spark-Source
Mass Spectrometry
Authors: R. Brown, M. L. Jacobs and R. E. Taylor
Performing Organization: Analytical Service, Acculabs Inc., Denver, CO
Sponsoring Agency: Health Services and Mental Health Administration,
Dept. of Health, Cincinnati, OH
Report No./Journal: None
NTIS/GPO No.: None Type of Report: In-House
Abstract
Although this publication discusses principally the application
of spark-source mass Spectrometry to the analysis of several different
matrices, e.g., coal, coal dust, lung tissue, particulate matter from
mining interiors and particulate matter from welding shops, it does
also present the typical trace elements found in fly ash. A total of 6^
elements in fly ash from a coal-fired power plant was analyzed by this
technique.
217
-------
Title: Trace Elements in Coal Dust by Spark-Source Mass Spectrometry
Authors: A. G. Sharkey, Jr., T. Kessler and R. A. Friedel
Performing Organization: Spectrophysics, Pittsburgh Energy Research
Center, 4800 Forbes Ave., Pittsburgh, PA
15213
Sponsoring Agency: Energy Research and Development Administration,
Washington, DC
Report No./Journal: Advances in Chemistry Series, No. 141, 48-56
(1975)
NTIS/GPO No.: Unknown Type of Report: Chapter in Trace Elements
in Fuel, ACS, Adv. Chem.
Ser. 141 (1975)
Abstract
This research article discusses a method for determining trace
elements in 10 pairs in respirable range mine dust and prepared coal
dust using the technique of spark-source mass spectrometry. Samples
representing eight coal seams in Pennsylvania, West Virginia, Virginia
and Utah were analyzed. For a majority of the sample pairs, several
elements including silver, cadmium, copper, chromium, calcium, chlorine,
phosphorus and bromine show higher values in the mine dust than the
coal. A limited investigation was conducted on the organic material
associated with the mine dust which indicates an additional series of
highly saturated materials not derived from coal.
218
-------
Title: Occurrence and Distribution of Potentially Volatile Trace
Elements in Coal
Authors: R. R. Ruch, A. J. Gluskoter and N. F. Shimp
Performing Organization: Illinois State Geological Survey
Sponsoring Agency: U. S. Environmental Protection Agency, Clean Fuels
and Energy Branch, Control Systems Lab., Research
Triangle Park, NC
Report No./Journal: August, 1974
NTIS/GPO No.: Unknown Type of Report: Final Government
Technical
Abstract
The results on the development of accurate and reliable data on
elemental analysis of coal and coal ash are discussed. Of particular
interest is the presentation of a comparison of a series of techniques
for the determination of elements in fly ash. The methods of analyses
employed and compared were: x-ray fluorescence, optical emission
spectrophotometry. atomic absorption spectrophotometry, neutron acti-
vation and ion selective electrodes. The trace elements analyzed were:
antimony, arsenic, beryllium, boron, bromine, cadmium, chromium, cobalt,
copper, fluorine, gallium, germanium, lead, manganese, molybdenum,
nickel, mercury, phosphosus, selenium, tin, vanadium, zinc and zirconium
Major and minor elements also analyzed were: aluminum, calcium, chlo-
rine, iron, magnesium, potassium, silicon, sodium, sulfur and titanium.
219
-------
Title of Project: Laboratory Leaching Studies of Coal Mine Spoil
Material
Principal Investigator: G. K. Pagenkopf
Performing Agency: Montana State University, Department of Chemistry,
Bozeman, MT
Supporting Agency: U. S. Environmental Protection Agency, Region VIII
Denver, CO 80201
Project Period: 3/1/74 - 6/30/74 Funds: $2,495
Summary
The objective of this study was to provide quantitative chemical
and physical data regarding the leachability of coal spoil materials
and how that leachability may affect the quality of shallow ground water
supplied in the northern great plains. The study would primarily con-
centrate on soluble inorganic salts in these leachates. A description
of the analytical methodology to be employed was not given.
220
-------
Title of Project: Column Leaching Studies of Coal Mine Spoil Material
Principal Investigator: Gordon K. Pagenkopf
Specialty: Associate Professor
Performing Organization: Montana State University, Department of
Chemistry, Bozeman, Montana 79515
Supporting Agency: U. S. Environmental Protection Agency, Office of
Energy Activity, 1860 Lincoln, Denver, CO 80203
Agency's Number(s): DEA-75-27B
Project Period: 2/1/75 - 6/30/76 Funds: $2,495
Summary
The proposed work is to examine the possibilities of coal mine
spoil material yielding salt to the ground water. No details are
available with regard to the specific types of inorganic materials to
be studied.
221
-------
Title of Project: Hydrologic Characteristics of Mine Spoils
Principal Investigator: W. A. Van Voast
Specialty: Hydrologist
Performing Organization: Montana Bureau of Mines and Geology
Supporting Agency: Old West Regional Commission, Frat Bldg., Suite
306A, Billings, Montana 59101
Agency's Number(s): 10570165
Project Period: 6/16/75 - 6/30/77 Funds: $97,400
Summary
One of the objectives of this program is to collect water samples
from research wells, ponds and seeps where a concentration of major
chemical constituents including trace metals and dissolved organic
compounds may be occurring which is associated with mine spoils. A
part of this program will involve the assimilation and laboratory leach
test to predict future spoils, JL.£., water quality. The water chemistry
research is proposed to include: (1) analysis of mine waters for organic
compounds dissolved from coal and their roles in chelation and
mobilization of trace metals in mine waters; (2) the major chemical analy-
ses for calcium, magnesium, sodium, sulfate, bicarbonate and chlorides
as well as trace metal analysis for lead, zinc, chromium, copper and
selenium.
222
-------
Title of Project: A Study of Coal Associated Waste Resulting from the
Mining, Processing and Utilization of Coal
Principal Investigator: J. W. Leonard, K. K. Humphreys, R. B. Muter,
J. F. Slonaker, W. F. Lawrence, and W. Buttermore
Specialty: Coal Research
Performing Agency: West Virginia University, School of Mines, Morgan-
town, WV 26506
Supporting Agency: U. S. Dept. of Interior, Office of Coal Research
Agency's Number(s): Contract 14-32-001-1218
Project Period: 7/74 - 6/75 Funds: FY75 - Unknown
Summary
The research at West Virginia University has been concerned with
investigating all waste and by-products associated with the conversion
and utilization of coal. The proposed objectives of the programs are:
(1) to characterize coal associated waste both chemically and physically;
(2) to propose and investigate possible utilization processes; (3) to
suggest safe disposal methods for these materials; and (4) to describe
their environmental impact.
The coal-associated wastes under study include coal preparation
waste, such as gob in coal fines; acid mine drainage; treatment waste;
modified fly ash and other lime/limestone waste resulting from sulfur
dioxide abatement processes; coal ashes and those wastes which may
result from the various conversion processes.
223
-------
Title of Project: Environmental Effects from Leaching of Coal Con-
version By-Products
Principal Investigator: W. P. VanMeter and R. E. Erickson
Specialty: Chemistry
Performing Agency: University of Montana, School of Arts and Sciences
770 Eddie Street, Missoula, MT 59801
Supporting Agency: U. S. Energy and Development Administration,
Advanced Research and Support Technology Division
Agency's Number(s): Contract E-49-(18)-2019
Project Period: 6/75 - 6/76 Funds: FY75 - $8,327
Summary
This project proposes to examine solid waste materials obtained
from existing pilot plants which are under operation for gasification of
coal. It is the purpose of this program to determine the characteristics
of the material which may leach through the action of precipitation or
ground water. The elements to be determined will include barium, cadmium,
mercury, nickel, lead, selenium, manganese, strontium and fluorine.
224
-------
Title of Project: Geochemical Survey of Waters of the Western Coal
Regions
Principal Investigator: G. L. Feder
Specialty: Water Resources Division
Performing Agency: U. S. Dept. of Interior, Geology Survey, Denver,
Co 80225
Supporting Agency: U. S. Dept. of Interior, Geological Survey, Waters
Resources Division
Agency's Number(s): CROO-095
Project Period: 7/74 - 6/75 Funds: FY75 - $47,000
Summary
The projected goal of this program is to obtain data on the natural
and pre-development biochemistry of the waters of the area with parti-
cular emphasis on trace elements that might have a relationship to
health and disease in humans or animals. The objective is to quantify
changes already produced by existing developments in the area between
soil plants, rocks and waters which are associated with strip mining and
power production.
225
-------
Title of Project: State of the Art Evaluation of Petroleum and Coal
Waste
Principal Investigator: L. Streebin
Specialty: Engineering
Performing Agency: University of Oklahoma, Research Institute,
202 West Boyd, Rm. 101, Norman, Oklahoma 73069
Supporting Agency: U. S. Environmental Protection Agency, Office of
Research and Development
Agency's Number(s): 12050-DKF & 72PT0807
Project Period: 7/74 - 6/75 Funds: FY75 Unknown
Summary
The final report of this study presents a state of the art evaluation
of pollution problems, abatement procedures, and control techniques
relevant to the petroleum and coal industries. The principal pollutants
in water discharge from the processing of coal were determined to be
suspended solids usually in the form of fine clay, black shale and other
minerals commonly associated with coal. The composition of the waste
water associated with the production of coke by carbonization of coal
indicates that it is high in phenols, ammonium and dissolved organics.
The project does not delineate the specific composition of elements and
specific organics in these waste waters. The waste streams studied were
from individual processes within the refinery, coal mining, coal pro-
cessing and coal utilization, the waste associated with each and the
corresponding control measures.
226
-------
Title: Sampling and Analytical Strategies for Compounds in Petroleum
Refinery Streams
Authors: K. J. Bomba, E. C. Cavanaugh, J. C. Dickerman, S. L. Keil,
T. P. Nelson, M. L. Own and D. D. Rosebrook
Performing Organization: Radian Corporation; Austin, TX 78766
Sponsoring Agency: EPA Industrial Environmental Research Laboratory
Research Triangle Park, NC 27711
Report No./Journal: Not Available
NTIS/GPO No.: Unknown Type of Report: Final; 1975
Abstract
This report presents as the principal objective the development of
cost estimates for comprehensive sampling and analytical strategies for
the examination of potentially hazardous components in five selected
refinery effluents. Specifically, the streams to be analyzed are: (1)
fugitive atomospheric emissions from atmospheric crude distillation; (2)
aqueous condensate from the atmosphere crude still; (3) effluent water
from the API separator; (4) tail gas from the sulphur recovery unit; and
(5) atmospheric emissions from the fluid catalytic cracking regenerator.
227
-------
Title: Current Practice in GC/MS Analysis of Organics in Water
Authors: R. G. Webb, A. W. Garrison, L. H. Keith and John M. McGuire
Performing Organization: Southeast Environmental Research Laboratory
College Station Rd., Athens, GA 30601
Sponsoring Agency: National Environmental Research Center, Office of
Research and Monitoring, U. S. Environmental Pro-
tection Agency, Corvallis, OR 97330
Report No./Journal: EPA-R2-73-277
NTIS/GPO No.: EPA-R2-73-277 Type of Report: Government Technical,
August, 1973
Abstract
This report discusses the analysis of waste water at the Southeast
Environmental Research Laboratory utilizing the technique of gas chroma-
tography/mass spectrometry. Procedures for extraction of aqueous media
with solvents are reviewed and applied to the analysis of organic com-
pounds in water from a petrochemical plant five-day lagoon effluent.
Using a computerized data reduction system and a computerized spectrum
matching program interfaced with a computer library of mass spectra, a
total of 61 organic compounds was identified.
228
-------
Title: Potentially Hazardous Emissions from the Extraction and Pro-
cessing of Coal and Oil
Authors: H. E. Lebowitz, S. Tarn, G. Smithson, Jr., H. Nack, and
J. Oxley; G. Cavanaugh, C. Burklin and J. Dickerman
Performing Organization: Battelle Columbus Laboratory and Radium
Corporation
Sponsoring Agency: EPA, Office of Research and Development, NERC-RTP
Control Systems Laboratory, Research Triangle
Park, NC 27711
Report No./Journal: EPA-650/2-75-038
NTIS/GPO No.: PB-241-803 Type of Report: Government Task Final;
2-3-74
Abstract
This report lists the potentially hazardous materials which are
known or suspected to be associated with air, water and solid waste from
a refinery, a coke plant, a Lurgi high BTU gas process and the solvent
coal process. From this study it is evident that available documents
are not adequate to develop an accurate list of potentially hazardous
emissions from these four processes. The recommendation is made for a
detailed assessment of the processes, field sampling and analysis in
order to identify the hazardous emissions more accurately.
This report includes a modular classification for potentially
hazardous materials which has been proposed by EPA. The classification
is divided as follows: acids and anhydrides, alcohols, amines, in-
organic salts, carbonyl compounds, combustion gases, epoxides, ethers,
halo-compounds, heterocyclic compounds, hydrocarbons, hydroperoxides,
lactones, nitro compounds, nitrosoamines. ozonides, peroxides, phenols,
229
-------
polychlorinated polynuclears, polynuclear hydrocarbons, sulfur com-
pounds, trace elements, organometallics, fine particulates and cyanides.
230
-------
Title of Project: Hydrocarbons Emitted During Aeration of Refinery
Waste Water (Air Stripping)
Principal Investigator: J. 0. Ledbetter and J. W. Khim
Specialty: Civil Engineering
Performing Agency: University of Texas, School of Engineering, 200
W. 21st St., Austin, TX 78712
Supporting Agency: University of Texas
Agency's Number(s): Unknown
Project Period: 7/74 - 6/75 Funds: FY75 - Unknown
Summary
This project proposes to examine the amounts of hydrocarbons stripped
from refinery waste water. Bench-scale studies will involve the measure-
ments and identification of the hydrocarbon emissions from model activated
sludge models.
231
-------
Title: Analysis of Soluble Organic Constituents in Natural and Process
Waters by High Pressure Liquid Chromatography
Authors: R. L. Jolley, W. W. Pitts, Jr., C. D. Scott, G. Jones, Jr.
and J. E. Thompson
Performing Organization: Oak Ridge National Laboratory, Oak Ridge,
Tennessee
Sponsoring Agency: Unknown
Report No./Journal: ERDA Research Abstracts, July 1975, 00847
NTIS/GPO No. Unknown Type of Report: Government Technical
Publication
Abstract
This report presents the development of high pressure high resolu-
tion liquid chromatography at the Oak Ridge National Laboratory for
detection, separation and analysis of soluble organics in a variety of
waters of environmental concern. The separated constituents were subse-
quently identified by mass spectrometry.
232
-------
Title of Project: The Chemistry of Tar Sand Bitumens
Principal Investigator: S. M. Dorrence
Performing Agency: U. S. Energy Research and Development Administra-
tion, Laramie Energy Research Center, Laramie, WY
82070
Supporting Agency: U. S. Energy Research and Development Administration
Agency's Number(s): Unknown
Project Period: 7/1/72 - 6/1/77 Funds: FY73 - $125,000
FY74 - $145,000
FY75 - $200,000
Summary
This program proposes to develop methods for chemical characteriza-
tion of oils, chars, gases and water contaminants produced during labora-
tory and field experiments designed to develop in situ recovery of tar
sands. Solvent extracted tar sand bitumens are being investigated to
determine chemical composition and physical properties to establish how
these parameters affect recovery. Gases and water soluble materials
produced during recovery experiments will be analyzed to assess environ-
mental impact.
233
-------
Title of Project: In Situ Oil Recovery from Tar Sand Deposits:
Chemical Studies (the commonly used short title is,
Tar Sands Chemistry)
Principal Investigator: S. M. Dorrence
Speciality: Unknown
Performing Agency: U. S. ERDA; Laramie, Wyoming
Supporting Agency: U. S. ERDA; Washington, D. C.
Agency's Number(s): Unknown
Project Period: 7/1/72 - 6/30/84 Funds: FY73 - $125,000
FY74 - $145,000
FY75 - $200,000
FY76 - $300,000
Summary
This project is involved with development of methods for chemical
characterization of oils, tars, gases and waters produced during labora-
tory and field experiments designed to develop in situ recovery of tar
sands. Solvent extracted tar sand bitumens are being investigated to
determine chemical composition and physical properties to establish how
these parameters affect recovery and to provide base line data to evaluate
the extent to which produced oils are upgraded compared to original
bitumens.
234
-------
Title: Sampling Hot Springs for Radioactive and Trace Elements
Authors: Harold A. Wollenberg
Performing Organization: Lawrence Berkeley Laboratory, University
of California; Berkeley, CA 94720
Report No./Journal: Lawrence Berkeley Laboratory Report
NTIS/GPO No.: Unknown Type of Report: U. S. Government Annual
Abstract
The Lawrence Berkeley Laboratory is conducting a program to define
the parameters for assessment of geothermal resources and to develop and
evaluate techniques to measure these parameters. One of the major
objectives of this program is the characterization of water samples for
major and trace elements utilizing laboratory radiometry, x-ray fluores-
cence analysis (Si, Na, K. Ca, Al, Hg, S) and neutron activation analyses
for trace elements. Under this program collection methods were devised
to retain all solid material including particulates. Geothermal samples
were taken for analysis from Big Sulphur, Hot Springs, Ruby Valley,
Nevada; Leach Hot Springs, Nevada; and Kyle, Nevada.
235
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APPENDIX B
ELEMENTAL CONSTITUENTS IN LIQUID AND SOLID EFFLUENTS
FROM ENERGY-RELATED PROCESSES
Page
Part I: Samples from In Situ Oil-Shale Gasification
(Tables B1-B3) 237
Part II: Samples from Low Btu Gasification of Rosebud Coal
(Tables B4-B10) 240
Part III: Samples from In Situ Coal Gasification in Gillette, WY
(Tables B11-B28) 247
Part IV: Samples from In Situ Coal Gasification in Hanna, WY
(Tables B29-B48) 265
236
-------
Table Bl. ELEMENTAL CONCENTRATIONS IN LIQUID SAMPLE FROM 150 TON OIL-SHALE RETORT
PROCESSING EXPERIMENT (LERC)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
0.026 + .024
0.24 + .16
0.025 + .005
0.009 + .001
<0.001
<0.001
1.5 + .5
0.15 + .05
<0.001
2 + 0
<0.001
<0.001
MC
0.001 + .001
0.01 + 0
0.045 + .025
0.045 + .025
<0.001
<0.001
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Ho Imium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
Mercury
Molybdenum
ppm
8 + 2
0.001
<0.002
<0.001
<0.001
<0.001
<0.001
3?
0.025 + .005
<0.001
3.5 + .5
<0.001
0.035 + .005
0.28 + .21
<0.001
4 + 0
0.015 + .005
0.0009
0.3 + 0
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Sandium
Selenium
Silicon
Silver
Sodium
ppm
<0.001
INT
<0.001
<0.001
<0.001
0.8 + .2
<0.001
3 + 0
<0.001
<0.001
<0.001
0.004 + 0
<0.001
<0.001
<0.001
0.003 + 0
2.5 + .5
<0.001
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.75 +
MC
0.003 +
<0.001
<0.001
<0.001
<0.001
0.001
0.002 +
0.5 + .
0.002 +
0.06 +
0.015 +
<0.001
<0.001
0.02
0.04 +
.005
.003
.001
3
0
.01
.005
.01
Detection limit was 0.001.
Determined by flameless atomic absorption.
-------
Table B2. ELEMENTAL CONCENTRATIONS IN DISCARDED CAVERN OIL SHALE
FROM IN SITU OIL-SHALE PROCESSING (OOS)
CO
00
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
MC
1 + 0
15 + 2
180 + 10
0.3 + 0
0.7 + .3
53 + 18
0.9 + .1
<0.8 + .1
MC
55 + 0
7 + 2
50 + 14
125 + 35
11 + 4
48 + 14
0.8 + .1
0.3 + 0
0.5 + .1
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
Mercury
Molybdenum
ppm
MC
0.7 + 0
14 + 1
0.65 + 0.2
<0.2
<0.2
0.55 + .05
W
0.5 + 0.4
<0.2
MC
20 + 0
19 + 16
160 + 0
<0.2
MC
405 + 170
NAC
6 + 3
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Sandium
Selenium
Silicon
Silver
Sodium
ppm
5 + 0
15 + 0
8+2
<0.2
<0.2
MC
<0.2
MC
3 + 1
<0.2
<0.2
125 + 35
<0.2
1.5 + 0.5
25 + 6
1 + 0
MC
1.7 + 1.3
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
460 + 0
MC
<0.2
<0.2
0.55 + .05
<0.2
5 + 1
<0.2
1.5 + .5
MC
1.25 + .75
3 + 0
135 + 45
<0.2
37 + 0
35 + 32
110 + 0
Detection limit was 0.2.
Determined by flameless atomic absorption.
"NA = not analyzed.
-------
Table B3. ELEMENTAL CONCENTRATIONS IN BOILER BLOW-DOWN WATER
FROM _LN SITU OIL-SHALE PROCESSING (OOS)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
0.5 + 0.1
0.01 + 0.05
2 + 0
0.5 + 0.05
<0.001
<0.001
1.7 + 1.3
0.3 + 0
<0.001
MC
0.002 + .001
0.01+0
MC
0.005 + .002
0.01 + 0
0.6 + 0
<0.001
<0.001
0.001
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
b
Mercury
Molybdenum
ppm
MC
0.001
0.015 + .007
0.015 + -005
<0.001
<0.001
<0.001
S
0.02 + .01
<0.001
5.5 + 2.5
0.001 + 0
0.06 + .03
1.2 + .8
<0.001
MC
0.06 + .03
0.001
0.6 + 0
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Sandium
Selenium
Silicon
Silver
Sodium
ppm
0.003 + 0
0.08 + 0
0.003 + .001
<0.001
<0.001
2.5 + .5
<0.001
MC
0.001 + 0
<0.001
<0.001
0.15 + .05
<0.001
0.002 + .001
50.006 + 0
0.014 + .006
MC
<0.001
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
5 + 0
MC
<0.001
<0.001
<0.001
<0.001
<0.001
<0.001
0.040 +
0.45 + .
<0.001
0.015 +
0.01 + 0
<0.001
0.002 +
0.12 + .
0.3 + .1
.040
05
.005
0
08
Lletection limit was 0.001.
Determined by flameless atomic absorption.
-------
Table B4. ELEMENTAL CONCENTRATIONS IN LIQUID CONDENSATE (-1L) FROM
ROSEBUD COAL DURING LOW BTU COAL GASIFICATION (MERC)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
-p- Cadmium
0
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
0.04 + .02
< 0.004
0.008 + .001
0.04 + 0
<0.004
<0.004
0.035 + .005
0.007 + .003
<0.004
MC
0.003 + 0
0.002 + .002
0.5 f .2
0.025 + .005
<0.009 + .009
0.015 + .005
<0.004
<0.004
<0.004
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Ho Imium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
Mercury
Molybdenum
ppm
0.08 + .02
<0.004
0.003 + .003
<0.004
<0.004
<0.004
<0.004
$
0.003 + .003
<0.004
0.145 + 0.06
0.002 + 0
0.025 + .005
0.095 + .005
<0.004
5 + 1
0.02 + 0
<0.0015
0.009 + .001
Element
Neodymium
Nickel 0
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium 0
Ruthenium
Samarium
Scandium
Selenium <_0
Silicon
Silver
Sodium
ppm
<0.004
.007 + .003
<0.004
<0.004
<0.004
0.3 + .1
<0.004
1.4 + 0.8
<0.004
<0.004
<0.004
.005 + .002
<0.004
<0.004
£0.007
.005 + .005
0.6 + 0
<0.004
>10
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.65 + 0.05
2 + 0
<0.004
< 0.004
<0.004
<0.004
<0.004
< 0.004
<0.004
0.08 + .01
<0.004
<0.004
0.002 + .001
<0.004
0.002 + .002
0.035 + .005
0.003 + 0
Detection limit was 0.004.
Determined by flameless atomic absorption.
-------
Table B5. ELEMENTAL CONCENTRATIONS IN LIQUID CONDENSATE (-2L) FROM
ROSEBUD COAL DURING LOW BTU COAL GASIFICATION (MERC)
NJ
-P-
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
ppma
0.12 + .07
<.004
0.014 + .006
0.07 + 0.04
<.004
<.004
0.07 + .01
0.017 + .012
<0.01
MC
0.003 + .001
0.003 4 .001
0.6 '+ .3
0.015 + .014
0.008 + .001
0.055 + .015
<.004
<.004
<.004
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Ind ium
Iodine
I rid ium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
Mercury
Molybdenum
ppm
0.13 + .07
<.004
0.005 + .001
<0.003
<.004
<.004
<.004
<.004
<0.002
S
0.6 + .1
0.002 + 0
0.03 + .02
0.1 + 0
<.004
7-
0.06 + .03
<0.0015
0.008 + .003
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium
Selenium
Silicon
Silver
Sodium
ppm
<.004
0.015 + .005
<.004
<.004
<.004
0.55 + .05
<.004
1.05 + 1.0
<.004
<.004
<.004
0.006 4- .001
<.004
<.004
0.006 +; .001
0.005 + .001
1.5 + .5
<,004
8.5 + 1.5
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.6 + .3
3 + 3
<.004
<.004
<.004
<.004
<0.004
<.004
0.029 + 0.021
0.25 + .05
<.004
<0.004
0.002 + .001
<.004
0.001 + .001
0.06 + .01
0.002 + .001
Detection limit was <0.004.
Determined by flameless atomic absorption.
-------
Table B6. ELEMENTAL CONCENTRATIONS IN LIQUID CONDENSATE (-3L) FROM
ROSEBUD COAL DURING LOW BTU COAL GASIFICATION (MERC)
ho
-IN
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
0.045
<0
0.035
0.055
<0
<0
0.035
0.011
<0
<0
0.001
0.002
1.5
0.015
0.004
0.03
<0
<0
<0
a
ppm
+ .015
.003
+ .015
+ .015
.003
.003
+ .005
+ .009
.003
.003
+ .001
+ .001
+ .5
+ .005
+ .003
+ .01
.003
.003
.003
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
Mercury
Molybdenum
ppm
0.1
<0
0.001
0.001
<0
<0
<0
1
0.001
<0
0.35
0.002
0.015
0.055
<0
± °
.003
+ .001
+ .001
.003
.003
,003
$
+ .001
.003
+ .05
+ .002
+ .005
+ .005
.003
MC
0.05
<0
0.008
+ .03
.0015
± -002
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium
Selenium
Silicon
Silver
Sodium
ppm
<0
0.055
<0
<0
<0
0,3
<0
2
<0
<0
<0
0.004
<0
<0
<0
0.002
0.75
<0
6
.003
+ .045
.003
.003
.003
+ .1
.003
+ 0
.003
.003
.003
+ .003
.003
.003
.003
+ .002
+ .05
.001
± 3
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.45
4
<0
<0
<0
<0
<0
<0
0.006
0.095
<0
<0
0.002
<0
0.001
0.03
0.001
+ .05
+ 2
.003
.003
.003
.003
.003
.003
+ .002
+ .005
.003
.003
+ .001
.003
+ .001
+ 0
+ .001
Detection limit was <0.003.
Determined by flameless atomic absorption.
-------
Table B7. ELEMENTAL CONCENTRATIONS IN LIQUID CONDENSATE (-4L) FROM
ROSEBUD COAL DURING LOW BTU COAL GASIFICATION (MERC)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
0.045 + .035
<0.002
0.003 + .002
0.06 + .05
<0.002
<0.002
0.41 + .4
0.006 + .004
<0.002
MC
0.001 + .001
<0.002
0.6 + .6
0.013 + .007
0.005 + .004
0.004 + .003
<0.002
<0.002
<0.002
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Ind ium
Iodine
I rid ium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
b
Mercury
Molybdenum
ppm
0.15 + .11
<0.002
<0.002
<0.002
<0.002
<0.002
<0.002
S
<0.002
<0.002
0.15 + .05
0.001 + .001
0.015 + .005
0.125 + .12
<0.002
MC
0.4 + .47
<0.0015
0.007 + .003
Element
Neodymium
Nickel 0.
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium 0.
Ruthenium
Samarium
Scandium
Selenium
Silicon
Silver
Sodium
ppm
<0.002
003 + .002
<0.002
<0.002
<0.002
0.3 + .2
<0.002
3.1 + 3
<0.002
<0.002
<0.002
003 + .001
<0.002
<0.002
<0.002
<0.002
1.6 + 1.5
<0.002
7 + 3
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.5 + .44
2 + 1
<0.002
<0.002
<0.002
<0.002
<0.002
<0.002
0.003 + 0
0.012 + .007
<0.002
<0.002
0.001 + .001
<0.002
0.001 + .001
0.045 + .025
0.002 + .001
Detection limit was <0.002.
Determined by flameless atomic absorption.
-------
Table B8. ELEMENTAL CONCENTRATIONS IN LIQUID CONDENSATE (-5T) FROM
ROSEBUD COAL DURING LOW BTU COAL GASIFICATION (MERC)
Element
Aluminum
Antimony
Arsenic
Barium 0
Beryllium
Bismuth
Boron
ro Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt 0
Copper
Dysprosium
Erbium
Europium
0.5
0.06
1
.025
<0
<0
0.4
0.02
<0
2.4
<0
0.01
0.23
0.06
.008
0.2
<0
<0
<0
a
ppm
+ .45
+ .02
+ 0
± -005
.02
.02
+ .2
+ 0
.02
+ 1.7
.02
+ 0
+ .17
+ .01
+ .002
+ .1
.02
.02
.02
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium 0 .
Lutetium
Magnesium
Manganese 0
Mercury
Molybdenum
0.6
<0
<0
<0
<0
<0
<0
<0
<0
2.5
<0
0.1
020
<0
0.7
.04
0,
<0
ppm
+ .4
.02
.02
.02
.02
.02
.02
S
.02
.02
+ 1.5
.02
+ 0
+ .015
.02
+ .4
+ .02
005
.02
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium
Selenium
Silicon
Silver
Sodium
<0
0.85
<0
<0
<0
0.07
<0
0.23
<0
<0
<0
0.05
<0
<0
0.02
0.04
2.0
<0
1.0
ppm
.02
+ .05
.02
.02
.02
+ .02
.02
+ .17
.02
.02
.02
+ .04
.02
.02
+ .015
+ 0
+ 1.1
.02
± -9
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.015
+ .005
MC
0.3
<0
<0
<0
<0
<0
<0
0.1
0.07
<0
0.033
<0
<0
0.25
0.02
+ .3
.02
.02
.02
.02
.02
.02
+ 0
+ .07
.02
+ .027
.02
.02
+ .2
+ .02
Detection limit was <0.02.
""Determined by flameless atomic absorption.
-------
Table B9. ELEMENTAL CONCENTRATIONS IN LIQUID CONDENSATE (-6T) FROM
ROSEBUD COAL DURING LOW BTU COAL GASIFICATION (MERC)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
0.20 + .12
50.04
0.15 + .05
0.07 + .03
<0.04
<0.04
0.15 + .05
0.04 + .01
<0.04
MC
<0.04
50.04
1.0 + .9
0.47 + .43
0.015 + .005
0.6 + .4
<0.04
<0.04
<0.04
EleiDCTit
Fluorine
Gadolinium
Gallium 0
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead 0
Lithium 0.
Lutetium
Magnesium
Manganese 0.
Mercury
Molybdenum
ppm
0.3
<0.04
.06 + .06
<0.04
<0.04
<0.04
<0.04
$
<0.04
<0.04
1.5 + .5
<0.04
.25 + .05
045 + .005
<0.04
2.0 + 1.0
020 + .011
0.005
<0.04
C ] ement
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium
Selenium
Silicon
Silver
Sodium
ppm
<0.04
1.85 + 1.15
<0.04
<0.04
<0.04
0.3 + .1
<0.04
0.14 + .06
<0.04
<0.04
<0.04
0.03 + .01
<0.04
<0.04
0.05 + .02
0.08 + .02
1.5 + .5
<0.04
0.2 + .2
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.04 + .01
MC
0.7 + .06
<0.04
<0.04
<0.04
<0.04
<0.04
<0.04
0.15 + .05
<0.04
<0.04
0.015 + .005
<0.04
<0.04
0.5 + .5
0.06 + .06
Detection limit was <0.04.
Determined by flameless atomic absorption.
-------
Table BIO. ELEMENTAL CONCENTRATIONS IN LIQUID CONDENSATE (-7T) FROM
ROSEBUD COAL DURING LOW BTU COAL GASIFICATION (MERC)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
1.6
<0.03
2.5
0.01
0.015
<0
2
0.009
<
4.2
<
0.008
0.18
0.09
0.008
0.075
-------
Table Bll. ELEMENTAL CONCENTRATIONS IN LIQUID SAMPLE (-1L) FROM
DEWATERING WELL #5 PRIOR TO IN SITU COAL GASIFICATION (LLL)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
KJ Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
0.07 + 0.03
<0.001
0.005 + 0.002
0.2 + 0
<0.001
<0.001
0.015 + 0.014
0.06 + 0.02
0.004 + 0
MC
<0.001
0.001 + 0
3 + 2
0.015 + 0.005
0.002 + 0
0.04 + 0.01
<0.001
<0.001
<0.001
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
Mercury
Molybdenum
ppm
-0.15 + 0.05
<0.001
0.002 + 0.002
<0.001
<0.001
<0.001
<0.001
S
0.001 + 0
<0.001
0.15 + 0.05
<0.001
0.007 + 0.001
0.2 + 0
<0.001
MC
0.3 + 0
<0.009
0.025 + 0.005
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Sandium
Selenium
Silicon
Silver
Sodium
ppm
<0.001
0.008 + 0
<0.001
<0.001
<0.001
0.14 + 0.
<0.001
>6
<0.001
<0.001
<0.001
0.006 + 0.
<0.001
<0.001
0.002 + 0
<0.001
4 + 1
0.002 + 0
3.5 + 0.5
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
05 Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
001 Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
.002
ppm
0.9 + 0.1
<0.001
<0.001
<0.001
<0.001
<0.001
<0.001
<0.001
<0.001
0.22 + 0.18
<0.001
<0.001
0.001 + 0
<0.001
<0.001
0.075 + 0.025
0.001 + 0
Detection limit was 0.001.
Determined by flameless atomic absorption.
-------
Table B12.ELEMENTAL CONCENTRATIONS IN A BLEND LIQUID SAMPLE (-2L)
FROM DEWATERING WELLS //I AND 6 (LLL)
OD
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
0.07 + 0.3
0.003 + 0.003
0.004 + 0.002
0.1 + 0
<0.004
<0.004
0.07 + 0.01
0.25 + 0.05
0.009 + 0.009
MC
<0.004
0.002 + 0
3.5 + 1.5
0.04 + 0.01
0.001 + 0
0.04 + 0.01
<0.004
<0.004
<0.004
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
Mercury
Molybdenum
ppm
-0.3 + 0.05
<0.004
0.002 + 0.002
<0.004
<0.004
<0.004
<0.004
9
0.003 + 0.003
<0.004
0.6 + 0.4
<0.004
0.02 + 0
0.15 + 0.06
<0.004
MC
0.25 + 0.05
<0.009
0.085 + 0.005
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Sandium
Selenium
Silicon
Silver
Sodium
ppm
<0.004
0.035 + 0.005
0.002 + 0.002
<0.004
<0.004
0.1 + 0
<0.004
MC
<0.004
<0.004
<0.004
0.004 + 0
<0.004
<0.004
0.007 + 0.002
0.004 + 0.004
MC
<0.004
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
2 + 1
7 + 1
<0.004
<0.004
<0.004
<0.004
<0.004
<0.004
<0.004
0.08 + 0
0.01 + 0
<0.004
0.001 +
<0.004
0.001 +
0.1 + 0
0.008 +
.02
.01
0.001
0.001
0.002
Detection limit was 0.004.
3Determined by flameless atomic absorption.
-------
Table B13. ELEMENTAL CONCENTRATIONS IN PROCESS WATER SAMPLE (-3L)
FROM IN SITU COAL GASIFICATION (LLL)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
MC
<0.004
0.04 + 0.02
0.25 + 0.05
0.004
<0.004
0.09 + 0.01
0.006 + 0.003
<0.004
MC
0.004 + 0.004
0.004 + 0.003
2 + 1
0.07 + 0.03
0.003 + 0
0.9 + 0.1
<0.004
<0.004
<0.004
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
Mercury
Molybdenum
ppm
=1 + 0
<0.004
0.007 + 0.002
0.004 + 0.004
<0.004
<0.004
<0.004
S
<0.004
<0.004
4.5 + 3.5
0.002 + 0.002
<0.04 + 0.02
0.085 + 0.005
<0.004
6 + 2
0.35 + 0.25
0.010
0.08 + 0.02
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Sandium
Selenium
Silicon
Silver
Sodium
ppm
<0.004
0.15 + 0.05
<0.004
<0.004
<0.004
0.4 + 0.1
<0.004
5 + 1
<0.004
<0.004
<0.004
0.006 + 0.002
<0.004
<0.004
0.013 + 0.006
0.06 + 0.04
MC
<0.004
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.06 + 0.04
MC
<0.004
<0.004
<0.004
<0.004
<0.004
<0.004
<0.004
0.6 + 0.4
<0.004
<0.004
0.013 + 0.007
<0.004
<0.004
0.07 + 0.3
0.01 + 0
Detection limit was <0.004.
Determined by flameless atomic absorption.
-------
Table B14. ELEMENTAL CONCENTRATIONS IN PROCESS TAR (-4T)
FROM IN SITU COAL GASIFICATION (LLL)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
hO
Ln
o Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
Itetection
a
ppm
MC
<0.04
1.8 + 1.2
1.7 + 1.3
0.005 + 0.005
0.3 + 0.3
0.48 + 0.42
0.04 + 0.02
0.2 + 0.1
MC
0.03 + 0
0.06 + 0.04
12.5 + 12.0
0.7 +0.3
0.08 + 0.02
2 + 0
<0.04
<0.04
<0.04
limit was <0.
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Li thium
Lutetium
Magnesium
Manganese
b
Mercury
Molybdenum
04.
„ ,
ppm
=^4 + 1
<0.04
0.15 + 0.05
<0.04
<0.04
<0.04
<0.04
$
<0.04
<0.04
MC
0.02 + 0.02
<0.04
0.7 + 0.1
<0.04
MC
1.5 + 0.5
<0.230
<0.04
.
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Sandium
Selenium
Silicon
Silver
Sodium
ppm
<0.04
0.9 + 0.1
<0.04
<0.04
<0.04
1.5 + 0.5
<0.04
MC
<0.04
<0.04
<0.04
0.35 + 0.05
<0.04
<0.04
0.06 + 0.02
0.015 + 0.05
MC
<0.04
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
1 + 0
MC
<0.04
<0.04
<0.04
0.1 + 0.1
£0.03 + 0
<0.04
0.06 + 0
5 + 2
<0.04
£0.04 + 0
0.06 + 0.
<0.04
<0.04
0.06 + 0.
0.06 + 0.
.03
.04
03
04
04
-------
Table B15. ELEMENTAL CONCENTRATIONS IN WELL WATER FROM PERM #5 (-5L)
IN SITU COAL GASIFICATION EXPERIMENT (LLL)
Ul
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
0.15 + 0.05
0.001 + 0.001
0.003 + 0.002
0.07 + 0.01
<0.001
<0.001
0.06 + 0
0.023 + 0.024
0.02 + 0.01
MC
0.002 + 0.002
0.003 + 0.002
1.7 + 1.1
0.025 + 0.005
0.002 + 0
0.04 + 0.01
<0.001
<0.001
<0.001
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
Mercury
Molybdenum
ppm
-0.5 + 0.1
<0.001
0.001 + 0.001
<0.001
<0.001
<0.001
<0.001
$
0.001 + 0.001
<0.001
0.7 + 0.3
0.001 + 0.001
0.05 + 0.01
0.2 + 0
<0.001
MC
1.6 + 1.4
<0.009
0.01 + 0
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Sandium
Selenium
Silicon
Silver
Sodium
ppm
<0.001
0.03 + 0.01
<0.001
<0.001
<0.001
0.15 + 0.05
<0.001
MC
<0.001
<0.001
<0.001
0.012 + 0.008
<0.001
<0.001
0.005 + 0.006
0.002 + 0.001
5 + 3
0.001 + 0.001
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
2.5 + 0.5
MC
<0.001
<0.001
<0.001
<0.001
<0.001
<0.001
<0.001
0.22 + 0.17
<0.001
<0.001
0.001 + 0.001
<0.001
<0.001
0.17 + 0.13
<0.001
Detection limit was 0.001.
Determined by flameless atomic absorption.
-------
Table B16. ELEMENTAL CONCENTRATIONS IN WELL WATER - EW4 (-8L)
FROM IN SITU COAL GASIFICATION EXPERIMENT (LLL)
N3
Ul
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
0.028 + .022
0.004 + .001
<0.002
0.05 + .02
<0.004
<0.004
0.08 + .02
0.005 + .004
<0.01
MC
0.002 + 0
<0.002
5 + 3
0.006 + .003
£0.005
0.017 + .012
<0.004
<0.004
<0.004
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium.
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
b
Mercury
Molybdenum
ppm
-0.25 + .15
<0.004
0.003 + .001
<0.004
<0.004
<0.004
<0.004
W
<0.004
<0.004
7 + 1
<0.004
<0.01
0.25 + .05
<0.004
MC
0.07 + .06
0.039
<0.009
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium
Selenium
Silicon
Silver
Sodium
ppm
<0.004
0.01 + 0
<0.004
<0.004
<0.004
0.24 + .2
<0.004
5 + 3
<0.004
<0.004
<0.004
<0.002
<0.004
<0.004
<0.003
<0.005
3 + 2
<0.004
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vand ium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.6 + .3
MC
<0.004
<0.004
<0.004
<0.004
<0.004
<0.004
<0.004
0.09 + .01
<0.004
<0.004
<0.001
<0.004
£0.001
0.06 + .04
£0.003
Detection limit was 0.004.
Determined by flameless atomic absorption.
-------
Table B17. ELEMENTAL CONCENTRATIONS IN WELL WATER - EW5 (-9L)
FROM IN SITU COAL GASIFICATION EXPERIMENT (LLL)
to
Ul
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
I
0.02 + .01
£0.002
0.003 + .002
0.07 + .04
<0.003
<0.003
0.04 + .02
0.005 + .001
<0.003
MC
0.002 + 0
<0.001
3 + 0
0.002 + 0
£0.004
0.003 + 0
<0.003
<0.003
<0.003
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Ind ium
Iodine
I rid ium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
Mercury
Molybdenum
ppm
-0.1 + .05
<0.003
<0.001
<0.003
<0.003
<0.003
<0.003
$
<0.002
<0.003
MC
0.001 + .001
£0.008
0.11 + .1
<0.003
6 + 2
0.7 + .2
0.067
<0.007
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium
Selenium
Silicon
Silver
Sodium
ppm
<0.003
0.007 + .002
<0.003
<0.003
<0.003
0.06 + .02
<0.003
2 + 0
0.001 + .001
<0.003
<0.003
0.001 + .001
<0.003
<0.003
£0.002
<0.003
2.5 + .5
<0.003
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
V and ium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.65 + .05
2 + 0
<0.003
<0.003
<0.003
<0.003
<0.003
<0.003
£0.004
0.2 + 0
<0.003
<0.003
<0.001
<0.003
0.001 + 0
0.02 + .01
0.006 + .004
Detection limit was 0.003.
Determined by flameless atomic absorption.
-------
Table B18. ELEMENTAL CONCENTRATIONS IN WELL WATER - DW//4 (-10L)
FROM JEN SITU COAL GASIFICATION EXPERIMENT (LLL)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
i_n Cadmium
-EN
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
0.22 + .2
<0.004
<0.004
0.07 + .02
<0.004
<0.004
0.45 + .05
0.25 + .05
<0.004
MC
<0.003
<0.002
4.5 + 2.5
0.008 + .002
0.02 + .01
0.009 + .001
<0.004
<0.004
<0.004
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium.
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
Mercury
Molybdenum
ppm
-0.8 + .2
<0.004
0.003 + .001
<0.002
<0.004
<0.004
<0.004
$
0.02 + 0
<0.004
MC
<0.002
<0.01
0.4 +" 0
<0.004
MC
0.45 + .05
0.070
£.005
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium
Selenium
Silicon
Silver
Sodium
ppm
<0.004
0.015 + .005
<0.004
<0.004
<0.004
0.08 + .02
<0.004
MC
<0.004
<0.004
<0.004
0.04 + .02
<0.004
<0.004
10 . 004
0.007 + .002
2.5 + .5
<0.004
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.55 + .25
MC
<0.004
<0.004
<0.004
<0.004
<0.004
<0.004
£0.009
0.25 + .05
<0.004
<0.004
0.01 + 0
<0.004
£0.001
0.03 + .01
0.004 + .001
aDetection limit was 0.004.
bT
Determined by flameless atomic absorption.
-------
Table B19. ELEMENTAL CONCENTRATIONS IN WELL WATER - DW#5 (-11L)
FROM IN SITU COAL GASIFICATION EXPERIMENT (LLL)
K3
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
i
0.02 + .01
0.002
0.005 + .001
0.13 + .07
<0.006
<0.006
0.1 + 0
0.07 + .02
<0.006
MC
<0.002
<0.002
MC
0.005 + .001
<0.006
0.015 + .005
<0.006
<0.006
<0.006
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
Mercury
Molybdenum
ppm
-0.8 + .1
<0.006
0.003 + .003
<0.006
<0.006
<0.006
<0.006
3?
<0.006
<0.006
MC
<0.006
£0.01
0.09 + .01
<0.006
7.5 + .5
0.3 + 0
0.015
<0.007
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium
Selenium
Silicon
Silver
Sodium
ppm
0.006
0.03 + .02
<0.006
<0.006
<0.006
0.095 + .005
<0.006
1.5 + .5
<0.006
<0.006
<0.006
0.008 + .002
<0.006
<0.006
<0.004
<0.005
3 + 1
<0.003
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
1 + 0
MC
<0.006
<0.006
<0.006
<0.006
<0.006
<0.006
<0.006
0.25 + .05
<0.006
<0.006
0.001 + .001
<0.006
<0.006
0.02 + .01
0.004 + .001
Detection limit was 0.006.
Determined by flameless atomic absorption.
-------
Table B20. ELEMENTAL CONCENTRATIONS IN WATER SAMPLE FROM EM-1 WELL (-12L)
AFTER IN SITU COAL GASIFICATION (LLL)
Element
Aluminum
An t imony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
0.09 + .02
<0.009
0.006 + 0
0.09 + 0
<0.009
<0.009
0.025 + .005
0.02 + .01
<0.009
MC
0.008 + .001
£0.006
2 + 0
0.025 + .005
0.02 + .01
0.11 + .09
<0.009
<0.009
<0.009
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium.
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
Mercury
Molybdenum
ppm
0.9 + .1
<0.009
£0.008
<0.009
<0.009
<0.009
<0.009
S
0.006 + 0
<0.009
0.45 + .05
<0.007
0.09 + .01
0.1
<0.009
MC
0.3 + 0
<0.23
0.06 + .02
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
ppm
<0.009
0.015 + .005
<0.009
<0.009
<0.009
0.18 + .17
<0.009
5.5 + .5
Praseodymium <0 . 009
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium
Selenium
Silicon
Silver
Sodium
<0.009
<0.009
0.015 + .005
<0.009
<0.009
0.01 + .005
£0.02
3.5 + .5
<0.009
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
2 + 0
MC
<0.009
<0.009
<0.009
<0.009
<0.009
<0.009
<0.009
0.1 + 0
<0.03
<0.009
0.003 + 0
<0.009
<0.004
0.075 + .025
0.014 + .006
Detection limit'was 0.009.
Determined by flameless atomic absorption.
-------
Table B21. ELEMENTAL CONCENTEATIONS IN WATER SAMPLE FROM EM-4 WELL (-13L)
AFTER IN SITU COAL GASIFICATION
ho
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
ppma
0.06 + .03
<0.005
0.006 + .003
0.19 + .11
<0.005
<0.005
0.03 + .02
0.09 + .01
<0.005
MC
0.005 + .001
0.005 + .001
6 + 1
0.015 + .005
<0.01
0.06 + .02
<0.005
<0.005
<0.005
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium.
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
b
Mercury
Molybdenum
ppm
-4
<0.005
0.006 + .002
<0.005
<0.005
<0.005
<0.005
$
0.007 + .004
<0.005
1.5 + .5
0.004 + .001
0.05 + .02
0.1 + 0
<0.005
-MC
0.65 + .05
<0.009
0.02 + .02
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
ppm
<0 . 005
0.035 + .005
<0.005
<0.005
<0.005
0.15 + .05
<0.005
MC
Praseodymium<°-005
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium
Selenium
Silicon
Silver
Sodium
<0.005
<0.005
0.01 + 0
<0.005
<0.005
0.015 + .005
0.009 + .001
7 + 2
<0.006
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
3.5 + 1.
MC
<0.005
<0.005
<0.005
<0.005
<0.005
<0.005
<0.005
0.09 + .
<0.005
<0.005
0.002 +
<0.005
0.003 +
0.15 + .
0.007 +
5
01
.001
.001
05
.002
Detection limit Was 0.005.
Determine by flameless atomic absorption.
-------
Table B22. ELEMENTAL CONCENTRATIONS IN WATER SAMPLE FROM EM-2 WELL (-14L)
AFTER IN SITU COAL GASIFICATION
Element
Aluminum
Antimony
Arsenic
Barium
Beryll ium
Bismuth
Boron
Bromine
ui Cadmium
oo
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
ppma
0.07 + .03
<0.005
0.009 + .001
0.15 + .05
<0.005
<0.005
0.015 + .005
0.06 + .02
<0.005
MC
0.006 + .002
0.005 + .001
3.5 + 1:5
0.03 + 0
0.009 + .001
0.5 + .45
<0.005
<0.005
<0.005
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium.
Iron
Lanthanum
Lead
Lithium
Lute t ium
Magnesium
Manganese
b
Mercury
Molybdenum
ppm
-1
<0.005
0.007 + .002
<0.005
<0.005
<0.005
<0.005
W
0.005 + .001
<0.005
0.6 + .3
<0.005
0.03 + .01
0.2 + 0
<0.005
MC
0.3 + 0
<0.009
0.05 + .01
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium
Selenium
Silicon
Silver
Sodium
ppm
<0.005
0.02 + 0
<0.005
<0.005
<0.005
0.13 + .07
<0.005
7 + 2
<0.005
<0.005
<0.005
0.007 + .001
<0.005
<0.005
0.025 + .005
0.009 + .001
3 + 2
<0.005
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
2 + 0
MC
<0.005
<0.005
<0.005
<0.005
<0.005
<0.005
<0.005
0.075 +
0.03
<0.005
0.002 +
<0.005
<0.005
0.06 + .
0.006 +
.005
.001
01
.002
Detection limit'was 0.005.
^Determined by flameless atomic absorption.
-------
Table B23. ELEMENTAL CONCENTRATIONS IN TAR SAMPLE (-15T) FROM PRODUCTION WELL #1
AFTER IN SITU COAL GASIFICATION (LLL)
N)
Ul
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
XL 5
0.2 + .1
0.2 + .1
4 + 0
<0.01
0.05 + .01
0.3 + 0
0.09+0
5.5 + .5
MC
0.07 + .03
0.035 + .005
13 + 0 •
1 + 0
0.85 + .15
MC
<0.01
<0.01
0.02 + 0
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
b
Mercury
Molybdenum
ppm
~4
0.04 + .04
0.07 + .02
0.05 + 0
<0.01
<0.01
<0.01
S
0.11 + .09
<0.01
MC
0.03 + .01
65 + 4
0.45 + .25
<0.01
MC
MC
<0.23
0.4 + .1
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium
Selenium
Silicon
Silver
Sodium
ppm
0.06 + .01
2 + 1
0.05 + .02
<0.01
<0.01
MC
<0.01
42 + 28
0.015 + .005
<0.01
<0.01
0.3 + .1
<0.01
0.035 + .005
<0.03
0.15 + .06
MC
0.06 + 0
>39
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
19 + 0
MC
<0.01
<0.01
<0.01
<0.02
<0.01
<0.01
1.5 + .5
MC
<0.01
<0.01
0.5 + .1
<0.01
0.04 + .02
MC
0.06 + .05
Detection limit was 0.01.
""Determined by flameless atomic absorption.
-------
Table B24. ELEMENTAL CONCENTRATIONS•IN WATER SAMPLE (-16L) FROM WELL DW-4
FROM IN SITU COAL GASIFICATTON EXPERIMENT (LLL)
Element
Aluminum
Antimony
Arsenic
Barium
Beryl 1 ium
Bismuth
Boron
Bromine
NJ
<^ Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
0.04 + .04
<0.008
0.006 + .001
0.13 + .06
<0.008
<0.008
0.12 + .08
0.05 + 0
<0.008
MC
0.007 + .002
<0.005
2
0.025 + .005
0.009 + .001
0.08 + .02
<0.008
<0.008
<0.008
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium,
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
b
Mercury
Molybdenum
ppm
~3
<0.008
0.007 + 0
<0.008
<0.008
<0.008
<0.008
$
<0.005
<0.008
3.5 + .5
0.005 + 0
<0.04
0.7 + .3
<0.008
MC
0.3 + .1
<0.009
0.025 + .005
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium
Selenium
Silicon
Silver
Sodium
ppm
<0.008
0.05 + .01
<0.008
<0.008
<0.008
0.6 + .4
<0.008
MC
<0.008
<0.008
<0.008
0.15 + .05
0.008
<0.008
<0.01
0.008 + .002
5 + 2
<0.008
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
5 + 1
MC
<0.008
<0.008
<0.008
<0.008
<0.008
<0.008
<0.008
0.3 + .25
<0.008
<0.008
0.003 + .
<0.008
<0.008
0.1 + 0
0.01 + 0
001
Detection limit was 0.008.
Determined by flameless atomic absorption.
-------
Table B25. ELEMENTAL CONCENTRATIONS IN WATER SAMPLE (-17L) FROM WELL DW-5
FROM JEN SITU COAL GASIFICATION EXPERIMENT (LLL)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
ppma
0.17 + .13
<0.008
0.009 + .001
0.08 + .02
<0.008
<0.008
0.15 + .05
0.04 + .02
<0.008
MC
0.008 + .002
0.005 + .002
4.5 + 2.5
0.02 + 0
0.03 + .01
0.06 + .02
<0.008
<0.008
<0.008
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium.
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
b
Mercury
Molybdenum
ppm
=6
<0.008
0.008 + .002
<0.008
<0.008
<0.008
<0.008
$
0.008 + 0
<0.008
7 + 3
<0.008
0.06 + .01
0.7 + .3
<0.008
MC
0.6 + .1
<0.009
0.04 + .01
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium
Selenium
Silicon
Silver
Sodium
ppm
<0.008
0.06 + 0
<0.008
<0.008
<0.008
0.3 + .1
<0.008
MC
<0.008
<0.008
<0.008
0.15 + .05
<0.008
<0.008
0.02 + .01
0.015 + .005
4 + 2
<0.008
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
6 + 0
MC
<0.008
<0.008
<0.008
<0.008
<0.008
<0.008
<0.008
0.15 + .05
<0.008
<0.008
0.003 + 0
<0.008
0.006 + 0
0.2 + 0
0.01 + 0
Detection limit 'was 0.008.
Determined by flameless atomic absorption.
-------
Table B26. ELEMENTAL CONCENTRATIONS IN WATER SAMPLE (-18L) FROM WELL DW-4
FROM JLN SITU COAL GASIFICATION EXPERIMENT (LLL)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
NJ
cr> Cadmium
M
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
0.05 + .05
<0.005
0.005 + .004
0.025 + .005
<0.005
<0.005
0.14 + .06
0.35 ± .05
<0.005
8 + 6
<0.005
0.006 + .001
4 + 0
0.006 + .001
0.004 + .002
0.3 + 0
<0.005
<0.005
<0.005
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
b
Mercury
Molybdenum
ppm
~4
<0.005
0.007 + .002
<0.005
<0.005
<0.005
<0.005
$
0.007 + .007
<0.005
3+0
<0.005
10.05
0.3 + 0
<0.005
2.5 + 1.5
0.01 + 0
<0.009
0.06 + .03
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium
Selenium
Silicon
Silver
Sodium
ppm
<0.005
0.04 + .01
<0.005
<0.005
<0.005
0.13 + .07
<0.005
<0.005
<0.005
<0.005
<0.005
0.16 + .14
<0.005
<0.005
0.015 + .005
0.014 + .006
2.2 + 1.8
<0.005
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.3 + .2
MC
<0.005
<0.005
<0.005
<0.005
<0.005
<0.005
<0.005
0.09 + .
<0.005
<0.005
0.005 +
<0.005
<0.005
0.05 + .
0.007 +
01
.001
02
.003
Detection limit'was 0.005.
Determined by flamless atomic absorption.
-------
Table B27. ELEMENTAL CONCENTRATIONS IN WATER SAMPLE (-19L) FROM PRODUCTION WELL #1
AFTER IN SITU COAL GASIFICATION (LLL)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
ppma
0.07 + .04
<0.01
0.01 + 0
0.055 + .005
<0.01
<0.01
0.05 + 0
0.01 + .01
<0.01
MC
<0.01
0.009 + .001
2 + 0
0.03 + .01
0.015 + .005
0.18 + .12
<0.01
<0.01
<0.01
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Ho Imium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
Mercury
Molybdenum
ppm
-3
<0.01
0.015 + .005
<0.01
<0.01
<0.01
<0.01
$
0.01 + 0
<0.01
0.9 + .1
<0.01
0.07 + .01
0.7 + .3
<0.01
MC
0.3 + .1
<0.009
0.07 + .03
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Sandium
Selenium
Silicon
Silver
Sodium
ppm
<0.01
0,025 + .005
<0.01
<0.01
<0.01
0.5 + .2
<0.01
MC
<0.01
<0.01
<0.01
0.08 + .02
<0.01
<0.01
0.03 + .01
<0.01
MC
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
7 + 2
MC
<0.01
<0.01
<0.01
<0.01
<0.01
<0.01
<0.01
0.1 + 0
<0.01
<0.01
0.004 + .001
<0.01
<0.01
0.08 + .02
0.015 + .005
Detection limit was 0.01.
^Determined by flameless atomic absorption.
-------
Table B28. ELEMENTAL CONCENTRATIONS IN WATER SAMPLE (-20L) FROM PRODUCTION WELL #1
AFTER IN SITU COAL GASIFICATION (LLL)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
Detection
a
ppm
0.3 + 0
<0.009
0.025 + .005
0.09 + .01
<0.009
<0.009
0.5 + .1
0.15 + .05
<0.009
MC
0.008 + .002
0.008 + .001
3 + 0
0.06 + .01
0.013 + .006
0.3 + .1
<0.009
<0.009
<0.009
limit was 0.009
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
Mercury
Molybdenum
•
ppm
^5
<0.009
0.05 + .03
0.015 + .005
<0.009
<0.009
<0.009
S
0.02 + 0
<0.009
4 + 1
<0.009
0.12 + .08
0.6 + .4
<0.009
MC
0.055 + .005
<0.009
<0.009
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Sandium
Selenium
Silicon
Silver
Sodium
ppm
<0.009
0.07 + .04
<0.009
<0.009
<0.009
1.4 + 0.6
<0.009
MC
<0.009
<0.009
<0.009
0.2 + 0
<0.009
<0.009
0.025 + .005
0.02 + 0
2.2 + 1.9
<0.009
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
MC
MC
<0.009
<0.009
<0.009
<0.009
<0.009
<0.009
<0.009
0.15 + .
<0.009
<0.009
0.007 +
<0.009
0.005 +
0.15 + .
0.014 +
05
.001
.001
05
.006
-------
Table B29. ELEMENTAL CONCENTRATIONS IN SEAM WATER FROM WELL #6 (HANNA #2)
PRIOR TO JEN SITU COAL GASIFICATION (LERC)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
ho
51 Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
0.11 ± .09
<0.001
0.010 ± .009
0.05 ± .03
<0.001
<0.001
0.02 ± 0
0.015 ± .005
<0.001
MC
<0.001
0.001 ± .001
4 ± 2
0.009 ± .001
0.007 ± .002
0.19 ± .09
<0.001
<0.001
<0.001
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Ind ium
Iodine
I rid ium.
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
b
Mercury
Molybdenum
ppm
^2 ± 0
0.001 ± .001
0.004 ± .002
0.005 + .003
<0.001
<0.001
<0.001
w
.001 ± .001
<0.001
MC
<0.001
0.02 + .1
0.5 ± .5
<0.001
MC
0.5 ± .1
<0.0004
0.3 ± .033
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium
Selenium
Silicon
Silver
Sodium
ppm
0.002 ± .001
0.07 ± .004
0.001 ± .001
<0.001
<0.001
0.1 ± 0.1
<0.001
MC
0.001 ± .001
<0.001
<0.001
0.06 ± .06
<0.001
0.001 ± .001
0.006 ± .002
0.008 ± .002
MC
0.001 ± .001
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
V and ium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.24 ±
5
<0.001
<0.001
<0.001
<0.001
<0.001
<0.001
0.006 ±
0.5 ± .
<0.001
0.001 ±
0.003 ±
<0.001
<0.001
0.35 ±
0.004 ±
.36
.002
4
.001
.001
.05
.003
Detection limit Was 0.001
Detected by flameless atomic absorption.
-------
Table B30. ELEMENTAL CONCENTRATIONS IN SEAM WATER FROM WELL #5 (HANNA #2)
PRIOR TO IN SITU COAL GASIFICATION (LERC)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
1
0.7 ± .4
0.001 ± .001
0.004 ± .001
0.013 ± .007
<0.001
<0.001
0.003 ± .001
0.02 ± .01
<0.001
MC
0.001
0.001 ± .001
2 ± 0
0.009 + .001
0.008 ± .002
0.25 ± .15
<0.001
<0.001
<0.001
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
b
Mercury
Molybdenum
ppm
^0.6
<0.001
0.005 ± .004
0.-001 ± 0
<0.001
<0.001
<0.001
$
0.001 + .001
<0.001
MC
0.001 ± 0
0.009 ± .01
0.5 + .5
<0.001
.2
0.19 ± .11
0.0011
0.0.5 ± .02
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium
Selenium
Silicon
Silver
Sodium
ppm
0.001 ± .001
0.04 ± .03
<0.001
<0.001
<0.001
0.08 ± .02
<0.001
MC
<0.001
<0.001
<0.001
0.005 ± .02
<0.001
0.001 ± .001
0.007 + .001
0.004 ± .001
2
0.001 ± .001
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
V and i urn
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.06 ±
MC
<0.001
<0.001
<0.001
<0.001
<0.001
<0.001
<0.001
0.12 ±
<0.001
<0.001
0.005
<0.001
<0.001
0.2 ±
0.005
.01
.08
± .002
.09
± .001
l)etection limit was 0.001.
Detected by flameless atomic absorption.
-------
Table B31. ELEMENTAL CONCENTRATIONS IN PRODUCT WATER (-8L) FROM WELL 5-6
LINKAGE DURING IN SITU COAL GASIFICATION (LERC)
1-0
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Biatnuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
7.5 ± 2.5
<0.2
<0.1
0.25 ± .05
<0.1
<0.2
<0. 1
<0. 1
<0.2
24 ± 6
<0.2
0.05 ± .05
0.75 ± .25
0.45 ± .15
<0.1
0.75 ± .05
<0.2
<0.2
<0.2
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
Mercury
Molybdenum
ppm
1.4 ± .6
<0.2
0.1 ± 0
<0.2
<0.2
<0.2
<0.2
S
<0.2
<0.2
4.5 ± 1.5
<0.2
0.55 ± .15
0.1 ± 0
<0.2
9 ± 1
0.2 ± .1
0.002
0.5 ± 0
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium
Selenium
Silicon
Silver
Sodium
ppm
<0.2
0.35 ± .05
<0.2
<0.2
<0.2
5 + 2
<0.2
4.5 ± 1.5
<0.2
<0.2
<0.2
0.1 ± 1
<0.2
<0.2
0.3 ± .1
<0.1
18 ± 10
<0.2
17 + 1
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.2 ± 0
10.5 ± 1.5
<0.2
<0.2
<0.2
<0.2
<0.2
<0.2
<0.2
3 ± 1
<0.2
<0.2
<0.1
<0.2
<0.1
0.6 ± .2
<0.1
Detection limit was 0.1.
Determined by flameless atomic absorption.
-------
Table B32. ELEMENTAL CONCENTRATIONS IN-PRODUCT WATER (-9L) FROM WELL 5-6 LINKAGE
DURING IN SITU COAL GASIFICATION (LERC)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
1.6
0.01
0.045
0.2
<
0.002
0.0245
<
0.025
2
0.003
0.001
0.115
0.03
0.003
0.395
<
<
+ 1
+ 0
+ .
+ 1
.001
+ .
+ .
.001
+ .
+ 1
+ .
+ .
+ .
+ .
+ .
+ .
.001
.001
.001
.4
043
002
015
005
002
001
085
02
001
30
Element
Fluorine
Gadolinium
Gallium 0
Germanium 0
Gold
Hafnium
Holmium
Indium
Iodine 0
Iridium
Iron
Lanthanum 0
Lead 0
Lithium 0
Lutetium
Magnesium
Manganese 0.
Mercury
Molybdenum
<
<
.004
.055
<
<
<
.001
<
2.5
.002
.008
.023
<
0125
0.
0.01
PPm
.001
.001
+ .002
+ .015
.001
.001
.001
$
+ .001
.001
+ .5
+ .002
+ .002
+ .016
.001
MC
+ .007
0018
+ .001
Element
Neodymium
Nickel 0
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium 0
Ruthenium
Samarium
Scandium 0
Selenium
Silicon
Silver
Sodium
ppm
<.001
.355 + .345
<.001
<.001
<.001
0.25 + .15
<.001
0.55 + .35
0.001 + .001
<.001
<.001
.003 + .001
<.001
<.001
.002 + .001
0.03 + 0
3
<.001
<.001
Element
Strontium 0
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium 0
Thulium
Tin
Titanium
Tungsten <0
Uranium 0
Vandium 0
Ytterbium
Yttrium
Zinc
Zirconium
ppm
.017 +.
>8
<.001
<.001
<.001
<.001
.002 + .
<.001
0.6 + .
0.12 + .
.004 + .
.002 + 0
.003 +.
<.001
<.001
0.02 + .
0.01 + .
012
001
2
08
001
002
01
01
Detection limit was 0.001.
Determined by flameless atomic absorption.
-------
Table B33. ELEMENTAL CONCENTRATIONS IN PRODUCT TAR (-10S) FROM WELL 5-6 LINKAGE
DURING IN SITU COAL GASIFICATION (LERC)
to
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
1.5
0.012
0.8
0.09
<
0.006
0.04
0.003
0.09
0.002
0.002
0.1
0.12
0.008
0.7
<
<
+ .
+ .
+ .
+ .
.002
+ .
+ .
+ .
+ .
5
+ .
+ .
+ 1
+ .
+ .
+ .
.002
.002
.002
5
010
2
01
003
01
003
01
001
001
08
002
2
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
b
Mercury
Molybdenum
ppm
0.03
<
0.015
0.06
<
<
<
0.002
<
6
0.001
0.06
0.02
<
2.5
+ .01
.002
+ .005
+ .02
.002
.002
.002
£
+ .002
.002
± 2
+ .001
+ .03
+ .01
.002
+ 1.5
0.13 + .07
<0.23
0.03
+ .01
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium 0
Ruthenium
Samarium
Scandium 0
Selenium
Silicon
Silver
Sodium
ppm
<.002
0.4 + .1
<.002
<.002
< . 002
1.75 + 1.25
<.002
0.25 + .05
<.002
<.002
<.002
.004 + .001
<.002
<.002
.001 + .001
0.03 + .03
MC
.002
^
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium 0
Thulium
Tin
Titanium
Tungsten <0
Uranium 0
Vandium 0
Ytterbium
Yttrium 0
Zinc
Zirconium 0
0.01
1.4
<
<
<
<
.002
<
3
0.2
.006
.002
.007
<
.001
0.45
.004
ppm
+ 0
± -6
.002
.002
.002
.002
+ .002
.002
+ 0
+ 0
+ .006
+ .002
+ .003
.002
+ .001
+ .05
+ .001
Detection limit was 0.002.
Determined by flameless atomic absorption.
-------
Table B34. ELEMENTAL CONCENTRATIONS IN PRODUCT WATER (-11L) FROM WELL 5-6 LINKAGE
DURING _IN SITU COAL GASIFICATION (LERC)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
2 + 1
0.003 + .001
0.05 + 0
0.045 + .015
<.002
0.004 + .002
0.04 + .01
0.003 + 0
0.01 + .01
3.5 + .5
0.001 + .001
0.001 + .001
0.145 + .055
0.06 + .03
0.004 + .001
0.1 + 0
<.002
<.002
<.002
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
Mercury
Molybdenum
ppm
0.055 + .005
<.002
0.026 + .23
0.14 + .06
<.002
<.002
<.002
£
0.002 + 0
<.002
0.45 + .05
0.003 + .003
0.03 + .02
0.052 + .048
<.002
2 + 1
0.009 + .001
0.0260
0.21 + .19
Element ppm
Neodymium <
Nickel 0.03
Niobium <
Osmium <
Palladium <
Phosphorus 0.07
Platinum <
Potassium 2.6
Praseodymium <
Rhenium <
Rhodium <
Rubidium 0.004
Ruthenium <
Samarium <
Scandium 0.003
Selenium 0.05
Silicon 6
Silver 0.003
Sodium
.002
+ .01
.002
.002
.002
+ .01
.002
+ 2.4
.002
.002
= 002
+ .001
.002
.002
+ .001
+ .01
+ 1
+ .003
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.03 + .02
2
<.002
<.002
<.002
<.002
0.002 + .001
<.002
0.09 + .01
0.15 + .05
0.008 + 0
0.003 + .001
0.005 + .001
<.002
0.001 + .001
0.015 + .005
0.006 + .001
Detection limit was 0.002.
Determined by flameless atomic absorption.
-------
Table B35. ELEMENTAL CONCENTRATIONS IN PRODUCT TAR (-12S) FROM WELL 5-6
DURING IN SITU COAL GASIFICATION (LERC)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
MC
0.02 + .01
0.8 + .1
0.55 + .05
0.001 + 0
0.055 + .025
0.05 + .02
0.002 + .002
0.5 + .1
MC
0.025 + .005
0.003 + .001
0.4 + .1
0.3 + .1
0.04 + 0
1.8 + 1.1
<.002
<.002
0.002 + .002
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
b
Mercury
Molybdenum
ppm
4 + 0
<.002
0.15 + .05
0.3 + 0
<.002
<.002
<.002
$
0.001 + .001
<.002
MC
0.014 + .006
2.5 + .5
0.09 + .01
<.002
MC
0.5 + .2
<0.23
0.054 + .046
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium
Selenium
Silicon
Silver
Sodium
ppm
0.008 + .008
0.1 + 0
0.002 + .002
<.002
<.002
1.5 + .5
<.002
MC
0.002 + 0
<.002
<.002
0.13 + .06
<.002
0.006 + .006
0.02 + .01
0.08 + .01
MC
0.03 + .03
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.2 + .1
MC
<.002
0.005 + .005
<.002
<.002
0.002 + .001
<.002
0.45 + .15
6 + 2
0.006 + .002
0.002 + .001
0.08 + .01
<.002
0.008 + .002
3 + 2
0.035 + .005
Detection limit was 0.002
Determined by flameless atomic absorption.
-------
Table B36. ELEMENTAL CONCENTRATIONS -IN PRODUCT WATER (-13L) FROM WELL 5-6
LINKAGE DURING IN SITU COAL GASIFICATION (LERC)
NJ
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
0.15
0.005
0.03
0.15
<
0.003
0.014
0.003
<
2.5
0.003
0.002
0.2
0.02
0.001
0.25
<
<
a
ppm
+ 0.5
+ .003
+ .02
+ .05
.005
+ .001
+ .006
+ .001
.005
+ .5
+ .001
+ .001
+ .1
+ 0
+ 0
+ .05
.005
.005
.005
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
Mercury
Molybdenum
0.035
<
0.003
0.07
<
<
<
0.002
<
0.5
0.002
0.03
0.02
<
1.8
0.004
0
0.07
ppm
+ .
.005
+ .
+ .
.005
.005
.005
S
+ .
.005
+ .
+ .
+ .
+ .
.005
+ 1
005
001
01
001
2
001
01
01
•1
+ .001
.0215
+ .
02
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium
Selenium
Silicon
Silver
Sodium
ppm
<.005
0.05 + .01
<.005
<.005
<.005
0.06 + .01
<.005
0.2 + .1
<.005
<.005
<.005
0.002 + .001
<.005
<.005
0.002 + 0
0.02 + 0
6
0.002 + .002
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
0.014
3.5
<
<
<
<
0.004
<
0.04
0.04
0.007
0.004
0.001
<
0.001
0.06
0.004
ppm
+ .006
+ .5
.005
.005
.005
.005
+ .002
.005
+ .01
+ .02
+ .002
+ .002
+ .001
.005
+ .001
+ .05
+ .002
Detection limit was 0.005.
Determined by flameless atomic absorption.
-------
Table B37. ELEMENTAL CONCENTRATIONS IN PRODUCT WATER (-14L) FROM WELL 7-8
IN SITU rn,\L GASIFICATION (LERC)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
0.08 + .02
<.005
0.025 + .005
0.14 + .09
<.005
<.005
0.15 + .05
<.005
<.005
7 + 1
<.005
<.005
0.425 + .375
0.075 + .025
0.005 + 0
0.15 + .05
<.005
<.005
<.005
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
b
Mercury
Molybdenum
Ppm
0.16 + .16
<.005
<.005
0.02 + 0
<.005
<.005
<.005
S
<.005
<.005
0.55 + .05
<.005
0.04 + 0
0.001 + 0
<.005
5.2 + 3.0
0.02 + 0
0.0300
0.02 + .02
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium 0.
Ruthenium
Samarium
Scandium Q.
Selenium
Silicon
Silver
Sodium
ppm
<.005
0.1 + 0
<.005
<.005
<.005
0.8 + .2
<.005
0.5 + .2
<.005
<.005
<.005
006 + .001
<.005
<.005
002 + 0
<.005
7.5 + .5
0.1 + .1
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.015 + .005
6.5 + 3.5
<.005
<.005
<.005
<.005
<.005
<.005
0.08 + .01
0.07 + .02
<.005
<.005
0.001 + 0
<.005
<.005
0.06 + .02
<.005
Detection limit was 0.005.
''Determined by flameless atomic absorption.
-------
Table B38. ELEMENTAL CONCENTRATIONS IN PRODUCT TAR (-15S) FROM WELL 7-8
_IN S_ITU COAL GASIFICATION (LERC)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
0.25 + .05
<.01
0.25 + .04
0.055 + .005
<.01
0.05 + .05
0.6 + .3
<.01
£0.2 + .2
8 + 1
<.01
<.01
1.6 + 1.4
0.6 + .1
0.015 + .005
4 + 1
<.01
<.01
<.01
Element ppm
Fluorine 0.4 + .2
Gadolinium <.01
Gallium 0.01 + .01
Germanium 0.08 + .02
Gold <-01
Hafnium < • 01
Holmium <.01
Indium $
Iodine <.01
Iridium <.01
Iron 5.5 + 1.5
Lanthanum <.01
Lead 0.135 + .065
Lithium 0.003 + .001
Lutetium <.01
Magnesium 3.8 + 3.2
Manganese 0.135 + .065
Mercury <0.23
Molybdenum 0.04 + .01
Element ppm
Neodymium <.01
Nickel 0.3+0
Niobium <.01
Osmium < . 01
Palladium <.01
Phosphorus 0.9+0
Platinum <.01
Potassium 0.5 + .3
Praseodymium <.01
Rhenium < . 01
Rhodium <.01
Rubidium 0.03 + .03
Ruthenium < . 01
Samarium <.01
Scandium 0.004 + .001
Selenium <.01
Silicon MC
Silver < . 01
Sodium 8+2
Element ppm
Strontium 0.019 + .011
Sulfur 6+4
Tantalum <.01
Tellurium <.01
Terbium <.01
Thallium <.01
Thorium <.01
Thulium <.01
Tin 0.1 + .1
Titanium 0.5 + .3
Tungsten <.01
Uranium <.01
Vandium 0.01 + 0
Ytterbium < . 01
Yttrium < . 01
Zinc 1.8 + 1.2
Zirconium < . 01
Detection limit was .01.
"'Determined by flameless atomic absorption.
-------
Table B39. ELEMENTAL CONCENTRATIONS IN PRODUCT WATER (-16L) FROM WELL 7-8
IN SITU COAL GASIFICATION (LERC)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
ppma
0.185 + .115
<.005
0.04 + .03
0.0075 + .0025
<.005
<.005
0.4 + .2
<.005
<.005
8 + 2
<.005
<.005
0.15 f .05
0.3 + .1
0.003 + 0
0.3 + 0
<.005
<.005
<.005
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
Mercury
Molybdenum
ppm
0.04 + .02
<.005
<.005
0.05 + .03
<.005
<.005
<-005
S
<.005
<.005
1.8 + 1.6
<.005
0.03 + .01
0.002 + .001
<.005
1.5 + .5
0.07 + .01
0.0020
0.02 + .01
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium
Selenium
Silicon
Silver
Sodium
ppm
<.005
0.08 + .02
<.005
<.005
<.005
0.145 + .055
<.005
0.35 + .25
<.005
<.005
<.005
<.005
<.005
<.005
0.003 + .001
<.005
5 + 2
<.005
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.015 + .005
4.5 + .5
<.005
<.005
<.005
<.005
<.005
<.005
0.05 + 0
0.07 + .01
<.005
<.005
<.005
<.005
<.005
.055 + .015
<.005
b
Detection limit was 0.005.
Determined by flameless atomic absorption.
-------
Table B40. ELEMENTAL CONCENTRATIONS IN PRODUCT TAR (-17S) FROM WELL 7-8
_IN SITU COAL GASIFICATION (LERC)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
0.25 + .05
<.01
0.25 + .05
0.02 + 0
<.01
<.01
0.04 + .02
<.01
<.01
4.5 + 2.5
<.01
<.01
0.4 + .2
0.6 + .2
0.007 + .006
0.75 + .05
<.01
<.01
<.01
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
b
Mercury
Molybdenum
ppm
0.11 + .09
<.01
<.01
0.035 + .005
<.01
<.01
<.01
$
<.01
<.01
3 + 1.5
<.01
0.09 + .01
0.022 + .020
<.01
0.45 + .05
0.05 + .01
<0.23
0.03 + 0
Element
Neodymium
Nickel 0
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium 0.
Selenium
Silicon
Silver
Sodium
ppm
<.01
.15 + .05
<.01
<.01
<.01
0.2 + 0
<.01
0.2 + 0
<.01
<.01
<.01
<.01
<.01
<.01
003 + .001
<.01
5 + 1
<.01
3 + 2.9
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.006 +
0.4 +
<.01
<.01
<.01
<.01
<.01
<.01
0.05 +
0.09 +
<.01
<.01
0.002 +
<.01
<.01
0.3 +
<.01
.002
.1
.01
.01
.002
.1
Detection limit was 0.01.
Detected by flameless atomic absorption.
-------
Table B41. ELEMENTAL CONCENTRATIONS IN PRODUCT WATER (-18L) FROM WELL 7-8
JLN SITU COAL GASIFICATION (LERC)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
0.2 + 1
<.008
0.02 + 0
0.075 + .005
<.008
<.008
0.03 + .01
<.008
<.008
2 + 2
<.008
<.008
0.5 + 0
0.075 + .025
0.002 + .002
0.07 + .03
<.008
<.008
<.008
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
Mercury
Molybdenum
ppm
0.19 + .1
<.008
<.008
0.008 + .001
<.008
<.008
<.008
$
<.008
<.008
6 + 5
<.008
0.055 + .015
0.004 + .002
<.008
0.8 + 0
0.007 + .002
0.0020
0.025 + .005
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Pr as eodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium
Selenium
Silicon
Silver
Sodium
ppm
0.01+0
<.008
<.008
<.008
<.008
0.1 + 0
<.008
3.6 + 3.4
<.008
<.008
<,008
0.005 + .005
<.008
<.008
0.002 + 0
<.008
6.6 + 3.6
0.009 + .009
5 + 3
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.009 + .001
1.3 + .7
<.008
<.008
<.008
<.008
<.008
<.008
0.02 + 0
0.12 + .08
<.008
<.008
0.002 + 0
<.008
<.008
0.035 + .005
0.007 + .007
Detection limit was 0.008.
Determined by flameless atomic absorption.
-------
Table B42. ELEMENTAL CONCENTRATIONS IN PRODUCT WATER (-19L) FROM WELL 7-8
IN S_ITU COAL GASIFICATION (LERC)
^J
00
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
0.115 + .085
<.007
0.03 + 1
0.075 + .005
<.007
<.007
0.2 + 0
<.007
<.007
4 + 1
<.007
<.007
0.5 + 0
0.04 + 0
0.002 + 0
0.05 + .02
<.007
<.007
<.007
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
b
Mercury
Molybdenum
ppm
0.07 + 0
<.007
<.007
£0.008
<.007
<.007
<.007
S
<.007
<.007
0.5 + .2
<.007
0.045 + .005
0.003 + .001
<.007
0.9 + .1
0.015 + .005
0.0015
0.025 + .005
Element
Neodymium
Nickel 0
Niob ium
Osmium
Palladium
Phosphorus
Platinum
Potassium 0.
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium 0.
Selenium
Silicon
Silver
Sodium
ppm
<.007
.01 + 0
<.007
<.007
<.007
0.1 + 0
<.007
295 + .20
<.007
<.007
<.007
<.007
<.007
<.007
002 + 0
<.007
1 + .5
<.007
7 + 0
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.0085 + .0015
0.7 + .3
<.007
<.007
<.007
<.007
<.007
<.007
0.02 + 0
0.22 + .18
<.007
<.007
£0.002
<.007
<.007
0.03 + 0
<.007
Detection limit was 0.007.
Determined by flameless AA.
-------
Table B43. ELEMENTAL CONCENTRATIONS IN GROUND WATER SAMPLE (CORE HOLE #3)
FROM IN SITU COAL GASIFICATION EXPERIMENT (LERC)
Element
Aluminum
Antimony 0
Arsenic 0
Barium 0
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
a
ppm
0.28 + .22
.006 + .001
.006 + .002
.005 + .001
<0.005
<0.005
0.06 + .02
0.01 + 0
<0.005
5 + 2
£0.003
£0.003
MC
Chromium Q.006 + .002
Cobalt £
Copper
Dysprosium
Erbium
Europium
1.001 + .001
0.03 + 0
<0.005
<0.005
<0.005
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium.
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
Mercury
Molybdenum
ppm
MC
<0.005
£0.003
£0.006
<0.005
<0.005
<0.005
$
<0.003
<0.005
7 + 2
<0.005
0.025 + .005
0.16 + .14
<0.005
6 + 1
0.05 + .04
0.066
<0.005
Element
Neodymium
Nickel 0
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium Q
Ruthenium
Samarium
Scandium
-------
Table B44. ELEMENTAL CONCENTRATIONS IN POST-GASIFICATION WATER SAMPLE (WELL//1, HANNA //I)
AFTER IN SITU COAL GASIFICATION EXPERIMENT (LERC)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
ho
oo Cadmium
0
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
ppma
2 + 1.9
<0.005
<0.003
0.015 + .005
<0.005
<0.005
0.3 + .1
0.007 + .002
<0.005
MC
0.003 + .001
<0.003
MC
0.005 + .001
0.008 + .002
0.05 + .03
<0.005
<0,005
<0.005
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
Mercury
Molybdenum
ppm
-2.8 + 2.1
<0.005
<0.004
<0.005
<0.005
<0.005
<0.005
S
<0.002
<0.005
1.7 + 1.4
<0.003
0.025 + .005
0.2 + 0
<0.005
MC
0.095 + .005
0.066
£0.009
Element
Neodymium
Nickel 0
Niobium
Osmium
Palladium
Phosphorus 0
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium 0.
Ruthenium
Samarium
Scandium 0.
Selenium 0.
Silicon
Silver
Sodium
ppm
0.005
.03 + 0
<0.005
<0.005
<0.005
.09 + .01
<0.005
1.7 + 1.2
<0.005
<0.005
<0.005
004 + .001
<0.005
<0.005
006 4- .001
008 + .001
2.8 + 2.1
<0.005
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.04 + .01
MC
<0.005
<0.005
<0.005
<0.005
<0.005
<0.005
0.01 + .01
0.1 + 0
<0.005
<0.005
0.002 + .001
<0.005
<0.002
0.02
<0.004
'Detection limit was 0.005.
Determined by flameless atomic absorption.
-------
Table B45. ELEMENTAL CONCENTRATIONS IN POST-HASIFICATION WATER SAMPLE (WELL #8, HANNA //I)
AFTER _IN SITU COAL GASIFICATION EXPERIMENT (LERC)
Element
ppm
Element
ppm
Element
ppm
Element
ppm
00
Aluminum 0.1 + .05
Antimony £0.003
Arsenic 0.005 + .002
Barium 0.013 + .006
Beryllium <0.003
Bismuth <0.003
Boron 0.3 + .2
Bromine 0.04 + .01
Cadmium <0.003
CaQcium MC
Cerium 0.003 + .001
Cesium 10-002
Chlorine MC
Chromium 0.004 + .003
Cobalt 0.01 +.005
Copper 0.045 +.005
Dysprosium <0.003
Erbium <0.003
Europium <0.003
Fluorine -4 + 1
Gadolinium <0.003
Gallium 0.004 + .002
Germanium <0.003
Gold <0.003
Hafnium <0.003
Holmium <0.003
Indium 3.
Iodine £0.003
Iridium <0.003
iron 8 + 2
Lanthanum £0.003
Lead 0.015 + .005
Lithium 3-2 ± 2-8
Lutetium <°-0°3
Magnesium **C
Manganese 0.15 + .05
Mercury" <0.009
Molybdenum 0.005
Neodymium <0.003
Nickel 0.025 + .005
Niobium <0.003
Osmium <0.003
Palladium <0.003
Phosphorus 0.09 + .01
Platinum <0.003
Potassium MC
Praseodymium <0.003
Rhenium <0.003
Rhodium <0.003
Rubidium 0-05 + .01
Ruthenium <0.003
Samarium <0'003
Scandium I0'005
Selenium °-°°7 ± •°02
Silicon MC
Silver <0.003
Sodium MC
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
0.15 + 0.05
MC
<0.003
<0.003
<0.003
<0.003
<0.003
<0.003
£0.006
0.5 + .:
<0.003
<0.003
0.003 + .002
<0.003
£0.001
0.05 + .04
<0.002
cDetection limit was 0.003.
Determined by flameless atomic absorption.
-------
NJ
CO
Table B46. ELEMENTAL CONCENTRATIONS IN POST-GASIFICATION WATER SAMPLE (WELL-WQ-1)
FROM IN SITU COAL GASIFICATION EXPERIMENT (LERC)
Element
Aluminum
Antimony
Arsenic
)'»arium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
a
ppm
0.03 + 0
<0.003
0.002 + 0
0.014 + .006
<0.003
<0.003
0.08 + .02
0.004 + .001
<0.003
MC
<0.002
<0.001
5 + L
0.003 + 0
0.001 + .001
0.005 + .001
<0.003
<0.003
<0.003
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
b
Mercury
Molybdenum
ppm
0.35 + .05
<0.003
<0.002
<0.003
<0.003
<0.003
<0.003
1
<0.001
<0.003
0.6 + .3
<0.001
<0.01
0.2 + 0
<0.003
5 + 1
0.05 + .03
0.011
£0.006
Element
Neodymium
Nickel o.
Niobium
Osmium
Palladium
Phosphorus Q
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium Q.
Ruthenium
Samarium
Scandium 0.
Selenium
Silicon
Silver
Sodium
ppm
<0.003
009 + .001
<0.003
<0.003
<0.003
.08 + .04
<0.003
MC
<0.003
<0.003
<0.003
005 + .004
<0.003
<0.003
003 + .001
<0.003
3+1
<0.003
7 + 1
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.07 + .02
MC
<0.003
<0.003
<0.003
<0.003
<0.003
<0.003
<0.003
0.05 + .01
<0.003
<0.003
0.001 + 0
<0.003
<0.003
0.009 + .001
0.004 + .002
aT
Detection limit was 0.003.
Determined by flameless atomic absorption.
-------
Table B47. ELEMENTAL CONCENTRATIONS IN POST-GASIFICATION WATER SAMPLE (WELL //I, HANNA #2)
FROM IN SITU COAL GASIFICATION EXPERIMENT (LERC)
Element
ppm
Element
ppm
Element
ppm
Element
ppm
I-O
oo
U)
Aluminum 0.5 + .1
Antimony 0.005 + .001
Arsenic <0.004
Barium 0.03 + 0
Beryllium <0.004
Bismuth 0.012 + .010
0.6 + .2
<0.004
0.017 + .017
MC
0.003 + .001
0.002 + 0
MC
<0.004
<0.004
<0.004
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium <0.004
Erbium
Europium
<0.004
<0.004
Fluorine MC
Gadolinium <0.004
Gallium <0.004
Germanium <0.004
Gold <0.004
Hafnium <0.004
Holmium <0.004
Indium §
Iodine 0.003 + 0
Iridium, <0.004
Iron <0.004
Lanthanum 0.002 + .002
Lead 0.095 + .005
Lithium 0.21 + .2
Lutetium <0.004
Magnesium
Manganese
b
Mercury
Molybdenum
<0.004
<0.009
<0.004
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rub id ium
Ruthenium
Samarium
Scandium 0
Selenium
Silicon
Silver 0
Sodium
<0.004
<0.004
<0.004
<0.004
<0.004
0.3 + .1
<0.004
2.5 + .5
<0.004
<0.004
<0.004
<0.004
<0.004
<0.004
.006 + .001
<0.004
5.5 + .5
.005 + .001
MC
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
<0.004
MC
<0.004
<0.004
<0.004
<0.004
<0.004
<0.004
0.009 + .001
0.15 + .05
<0.004
<0.004
0.003 + .001
<0.004
<0.004
<0.004
<0.004
a"
Detection limit was 0.004.
Determined by flameless atomic absorption.
-------
Table B48. ELEMENTAL CONCENTRATIONS IN POST-GASIFICATION WATER SAMPLE (WELL //4, HANNA //2)
FROM IN SITU COAL GASIFICATION EXPERIMENT (LERC)
Element
Aluminum
Antimony
Arsenic
Barium
Beryllium
Bismuth
Boron
Bromine
Cadmium
Calcium
Cerium
Cesium
Chlorine
Chromium
Cobalt
Copper
Dysprosium
Erbium
Europium
0.26
1°
0.003
0.04
<0
<0
0.15
0.015
<0
ppma
± -24
.005
+ .001
+ 0
.004
.004
+ .05
+ .005
.004
MC
0.004
1°
4
0.008
0.005
0.02
<0
<0
<0
+ .001
.003
+. I
+ .002
+ .004
+ 0
.004
.004
.004
Element
Fluorine
Gadolinium
Gallium
Germanium
Gold
Hafnium
Holmium
Indium
Iodine
Iridium
Iron
Lanthanum
Lead
Lithium
Lutetium
Magnesium
Manganese
b
Mercury
Molybdenum
ppm
1.8
<0
0.004
<0
<0
<0
<0
0.003
<0
5.5
<0
<0
0.15
<0
6
0.3
<0
0.02
+ 1.2
.004
4- 0
.004
.004
.004
.004
$
+ .003
.004
+ .5
.003
.02
+ .05
.004
4- 0
+ .1
.009
+ .01
Element
Neodymium
Nickel
Niobium
Osmium
Palladium
Phosphorus
Platinum
Potassium
Praseodymium
Rhenium
Rhodium
Rubidium
Ruthenium
Samarium
Scandium
Selenium
Silicon
Silver
Sodium
ppm
<0.
0.025
0.09
<0
<0
0.08
<0
8
<0
<0
<0
0.010
<0
<0
<0
0.008
2.5
<0
.004
+ .005
+ .09
.004
.004
+ .02
.004
+ 0
.004
.004
.004
+ .008
.004
.004
.009
+ ,002
+ 1.5
.004
MC
Element
Strontium
Sulfur
Tantalum
Tellurium
Terbium
Thallium
Thorium
Thulium
Tin
Titanium
Tungsten
Uranium
Vandium
Ytterbium
Yttrium
Zinc
Zirconium
ppm
0.085
+ .005
MC
0.004
0
0
0
0
0
0
0.1
0
0
0,003
0
0
0.02
0.007
.004
.004
.004
.004
.004
.01
+ 0
.004
.004
+ .001
.004
.004
+ o
+ .003
Detection limit was 0.004.
Determined by flameless atomic absorption.
-------
APPENDIX C
VOLATILE ORGANIC SUBSTANCES IN LIQUID AND SOLID EFFLUENTS FROM
ENERGY-RELATED PROCESSES
Page
Part I: Samples from Oil-Shale Processing 286
Part II: Samples from Low Btu Gasification of Rosebud Coal. . 295
Part III: Samples from In Situ Coal Gasification in
Gillette, WY 311
Part IV: Samples from In Situ Coal Gasification in Hanna, WY. 354
285
-------
00
en
a
OJ
a)
s-i
o
H
01
•H
4-J
cd
a>
00
'I'1"'1"! i1"
7700
7750
Mass Spectrum No.
Figure Cl. Profile of volatile organics in aqueous sample-from 150 Ton oil-shale
retort (LERC, ERDA).
-------
Table Cl. VOLATILE ORGANICS IN AQUEOUS SAMPLE FROM 150 TON
OIL-SHALE RETORT PROCESSING (LERC, ERDA)
Chromato-
graphic
Peak No.
2
3
4
6
7
8
8A
9
10
12
13
15
16
17
17A
18
20
21
22
23
25
26
27
28
29
29A
30
31
32
33
34
35
36
37
39
40
41
43
44
45
46
47
48
Elution
Temp.
(°C)
105
105
106
107
108
109
110
111
115
123
128
131
133
134
138
139
148
153
162
164
172
173
174
175
176
177
177
178
179
181
184
190
192
194
200
201
203
209
212
215
220
225
229
Compound
acetone
n-pentane
dlethyl ether
_^-butanol
nitromethane
methoxy-1-butene (tent.)
cyanoethane (tent.)
3-methylpentane
n-hexane
methyl ethyl ketone (tent.)
methylcyclopentane
2-methylbutan-2-ol
benzene
thiophene
cyclohexane
isobutyronitrile
n-heptane
N-methylpyrazole
2,3-dimethylbutan-2-ol or
n-propyl t-butyl ether
toluene
1-methylthlophene
pyrldine
phenol
ethylbenzene
_p_-xylene
m-xylene
1,4-dimethylthiophene (tent.)
thiacyclohexane
£-xylene
methylthiacyclohexane
isomer
methylpyridine isomer (tent.)
n-propylbenzene
ethyltoluene isomer
ethyltoluene isomer
C.-alkyl benzene isomer
unknown
dimethylindene isomer (tent.)
C -alkyl benzene isomer
o-methylphenol
2,2, 6-trimethylcyclo-
hexanone
C, -alkyl benzene isomer
acetophenone
C.-alkvl benzene isomer
q
ppb
200+56
10+3
13+9
130+91
16+7
6+5
53+21
13+2
53+5
6+1
680+5.0
17+3
14.5+7
8+4
5+3
9+1
10+2
177+20
trace
300+100
9+7
4+1
2+0.5
11+2
28+6
24+6
9+2
22+6
7±1
trace
9+2
40+15
24+8
23+9
80+22
NQ
2+2
4+1
10+5
9.5+1
3.2+5
2.7+0.4
4.6+0.6
Chromato- Elution
graphic Temp. Compound ppb
Peak No. (°C)
49 230 unknown NQ
50 230 £-methylphenol 4+1
51 233 C -alkyl benzene isomer g+j
52 236 o-ethyltoluene 17+3
53 237 4,5-dihydroxyheptane 68+21
54 240 m-ethylphenol 12+3
55 C. -alkyl benzene isomer trace
56 unknown (aromatic) NQ
57 naphthalene 75+32
58 dimethylbenzof uran isomer 3.6+0.3
59 methylbenzocyclopentenone 4.2+0.3
60 unknown NQ
61 8-methylnaphthalene 61+10
62 » o-methylnaphthalene 52+17
287
-------
Table C2. VOLATILE ORGANICS IN AQUEOUS BOILER BLOW-DOWN SAMPLE FROM
IN SITU OIL-SHALE PROCESSING (OCC)
Chromato-
graphic
Peak No.
1
2
2A
2C
3A
4
6
7
8
8B
9
9C
10
10B
IOC
12
12A
12B
13
13A
13B
14
14A
15C
15D
16
17
17A
18
ISA
18B
19
19A
20
20A
20B
21
2LA
22
23
24
25
25A
Elution
Temp .
43
45
46
49
51
51
57
59
61
64
65
69
70
71
72
76
78
78
80
83
84
90
94
107
112
113
116
116
117
118
118
119
121
123
124
125
126
128
129
131
133
135
136
Compound
co2
methyl ethyl ether
acetaldehyde
isopentane
n-pentane
acetone + diethyl ether
2-methylpentane
3-methylpentane
hexafluorobenzene (e2)
+ n-hexane
methyl ethyl ketone
methylcyclopentane + per-
fluoro toluene (eS)
C..H., . isomer
/ 16
benzene
cyclohexane
C_H1£ isomer
/ lo
CSH isomer
O J.O
C_H, -0 isomer (tent.)
_> 1U
_n-hep tane
C5H10° a^coh°l isomer (tent.)
C_H, . isomer
7 14
ri-hexanal (tent. )
toluene
C0H. , isomer
o ib
CQH1C isomer
O J.O
ethylbenzene
£-xylene
C- «H- isomer
styrene
C nH_. isomer
C H isomer
C-jH-.O isomer
7 14
n-nonane or CgH2Q isomer
C.. /-.H,.- isomer
C10H22 isomer
ClnH.. isomer
11 24
C10H20 ls°mer
C10H22 isomer
C10H20 isomer
C10H22 + C3~alkyl benzene
isomers
C..H. isomer
11 24
C H isomer
11 24
C11H24 lsomer
C^-alkyl benzene isomer
ppb
NQ
5.46+2.1
2.75+1.1
T
T
48.9+16
3.40+1.1
18.3+6.6
51.0+21
T
27.9+5.7
T
4.1+1.3
T
T
48.2+26
9.85+1.9
19 .2+2.7
NQ
T
T
19.2+6
T
T
T
T
6.89+1.4
T
10.2+3.7
T
T
3.43+0.7
T
17.10+3.7
4.14+0
T
7.49+2.5
T
1.78+0.4
31.8+27
27.2+21
5.53+5
T
Chromato-
graphic
Peak No.
26
27
27A
28
29
30
31
31
32
33
33A
33B
34
35
35A
36
37
37A
38
39
39A
39B
39C
39D
39E
40
41
42
43
44
45
46
47
48
48A
48B
49
51
52
52A
53A
54
Elution
Temp . Compound
137
138
139
141
142
144
145
146
148
150
150
152
153
154
157
162
166
168
170
171
175
175
176
181
184
185
188
196
199
203
206
208
211
213
214
218
220
224
225
226
232
237
n-decane 5
phenol + GI^K-.. isomer
C11H24 lsomer
C11H24 isomer 7
C H , isomer 3
C10H20 ls°mer X
C13H28 is°mer ?
C12H24 isomer
hydrocarbon
acetophenone
C, -alkyl benzene isomer
cresol isomer
C, _H_ , isomer
11 24
n-undecane 0«
C H + cresol isomers
dimethylphenol isomer
dimethylphenol isomer
naphthalene
C..-H,.. isomer
12 24
ii-dodecane 0-
C -alkyl phenol isomer
C. -alkyl phenol isomer
C_-alkyl phenol isomer
C -alkyl phenol isomer
C H isomer
1J /o
n-tridecane 0
C -alkyl phenol + methylnaph-
thalene + C -alkyl phenol
isomers
C,-alkyl phenol + C ,H
isomers
ri-tetradecane 1
C«-alkyl naphthalene isomer
C15H30 lsomer
C H isomer
C15H30 lsomer
n-pentadecane 5
C^-alkyl naphthalene isomer
C_-alkyl naphthalene isomer
C15H30 isomer
alkyl butanoic acid isomer (tent
n-hexadecane 7
C16H32 lsomer l
C.^H_. isomer
17 34
ii-heptadecane 9
ppb
.53+1.7
NQ
T
67+2.9
96*2.1
96+0.5
17+6.1
T
NA
T
T
NQ
T
89+0.5
T
NQ
NQ
T
T
37+0.1
NQ
NQ
NQ
NQ
T
89+0.5
NQ
NQ
96+0.7
T
T
T
T
53+2.6
T
T
T
) NQ
67+3 . 9
96+0.9
T
17+8.2
288
-------
Table C3. VOLATILE ORGANICS IN OMEGA-9 RETORT WATER FROM IN SITU
OIL-SHALE PROCESSING PRIOR TO INCUBATION AT 75°F
(LERC, ERDA)
Chromato-
graphic
Peak No.
1
2A
2B
3
4
4A
5
6
6A
7
8
8A
9
9A
10
11
12
13
13A
13B
14
15
15A
15B
16
16A
16B
17
18
19
19A
20
20A
21
21A
21C
22
23
23A
23B
24
24A
24B
25
Elution
Temp.
41
44
47
49
51
55
56
58
58
59
63
65
67
68
68
71
72
75
79
81
82
85
86
87
87
88
90
91
92
93
95
97
97
99
99
100
101
102
102
103
103
104
104
106
Compound
co2
butene isomer
isopentane
acetone
acetonltrile
isopropanol
ter-butanol
propionitrile + hexa-
fluorobenzene (eS)
n-hexane
methyl ethyl ketone
perfluorotoluene (el)
isobutyronitrile
benzene
thiophene
methyl isopropyl ketone
n-butyronitrile
2-pentanone
3-pentanone
C^H, -0 isomer
6 12
a-methylbutyronitrile
4-me thy 1- 2-pentanone
2-methyl-3-pentanone
3-rae thy 1- 2-pentanone
pyrrole
toluene
2-methylthiophene
3-methylthiophene
n-pentylnitrile
3-hexanone
2-hexanone
thiacyclopentane
cyclopentanone
4-methylpentylnitrile
pyridine
3-methylisothiazole
acetoxy-2-butene or C H 0
isomer
5-methyl-3-hexanone
2-methyl- 3-hexanone
2-me thy Icy clop entanone
C,H, .0 isomer
7 14
2-methylthiacyclopentane
C6H10°2 l30mer
5-me thy 1- 2-hexanone
C7H ^0 isomer
ppb
-
NQ
4.2+2
126.3+40
42.0+11
22.8+6
17.5+7
27.3+7
2.8+1.4
75.8+3.4
3.0+1.5
133 . 9+3
19.6+6.4
20.2+12
13+3.4
197+72
26+14
12.6+4
30.3+14
105+70
62+30
12+2.5
22.7+15
6.7+1.1
T
T
10.9+4
5.3+17
52.6+22
5.6+2.8
5.0+2.9
T
152+62
6.8+1.1
NQ
T
T
7.7+2.7
18.9+6.2
3+0.2
14 . 7+8 . 8
T
18.7+1.5
Chromato-
graphic
Peak No.
25A
26
27
27A
27B
27C
28
28A
28B
29
30
30A
31
32
33
34
35
35A
35B
36
36A
36B
37
38
38A
39
40
41
42
42A
43
43A
44
45
46
46A
46B
47
47A
47B
(continued)
289
Elution
Temp.
107
107
108
109
109
110
110
111
111
112
113
113
115
117
118
119
120
121
121
122
124
124
125
127
127
128
129
130
131
132
133
134
135
140
141
142
144
144
145
146
Compound ppb
ethylbenzene 2.1+1
C?H120 or C8H16 isomer T
2-methylpyridine + m-xylene 40.5+6.7
4-heptanone T
3-methylpyridine + n-hexyl- 16.5+6
nitrile
dimethylthiacyclopentane 0.34+0.2
isomer
thiacyclohexane 4 . 6+2
2 , 5-dimethylthiacyclopentane 3 . 5+1 . 5
C7H._0 isomer T
3-heptanone 28+18
2-heptanone 244+100
o-xylene 5 . 6+2 . 8
C.H10 isomer 3.2+1.5
y lo
C.H 0 isomer 1.2+0.3
dimethylpyridine isomer 16.4+6.2
CgH-- isomer (tent.) T
methylthiacyclohexane + T
CgH.,0 isomers (tent.)
CgH140 isomer + 3-methylcyclo- 0.96+0.2
hexanone
C.H. ,0 isomer T
O 10
2-ethylpyridine T
2-methylcyclohexanone T
3-octanone T
2-octanone 126+42
aniline + C2-alkyl pyridine 45.4+6.8
isomer
C,-alkyl pyridine isomer 15+4.4
C2-alkyl pyridine isomer + 35+12.5
n-heptylnitrile
C3-alkyl pyridine isomer 63+14
cyanobenzene 235+155
C7H N + C7H1Q02 (tent.) isomers NQ
CQH..,0 isomer 13.1+0.4
O ID
C H ,0 isomer 25.3+10
C,-alkyl pyridine isomer NQ
2,4,6-trimethylpyridine T
trimethylcyclohexanone isomer 0.7+0.3
C,-alkyl cyclohexanone isomer T
C,-alkyl pyridine isomer T
C.H.,,0 isomer (tent.) 19.3+5
O Li.
CgHlgO isomer 1.36+0.7
trimethylcyclohexanone T
benzylcyanide or tolunitrile 10.8+5.2
-------
Table C3 (cont'd)
Chromato-
graphic
Peak No.
47C
48
49
50
51
51A
52
52A
53
54
54A
55
56
57
58
59
60
61
61A
62
63
64
65
66
66A
67
68
69
70
71
72
73
74
75
75A
76
76A
77
78
Elution
Temp . Compound
147
147
150
151
153
155
156
157
159
160
160
161
162
163
165
166
167
168
169
171
172
174
176
178
179
180
182
183
185
189
191
192
195
197
198
222
223
235
236
C-H.,0 isomer
C,-alkyl pyridine isomer
CpH-pO isomer
C, -alkyl pyridine isomer -\
C_-alkyl pyridine isomer \
C,-alkyl pyridine isomer^/
C(--alkyl pyridine isomer
C H .0 isomer
10 18
C_-alkyl pyridine isomer
C H 0 isomer
10 18
1,3,5-trimethylpyrazole
C. -alkyl pyridine isomer
C E N isomer
C, -alkyl pyridine isomer
C-H N isomer
C11H20° °r C10H16°2 isomer
naphthalene
C, -alkyl pyridine isomer
CgH N isomer
Ce-alkyl pyridine isomer ]
C, -alkyl pyridine isomer
C, -alkyl pyridine isomer \
C_-alkyl pyridine isomer
C -alkyl pyridine isomer 1
C, ,H,n isomer
14 30
C--alkyl pyridine isomer
quinoline
ji-tridecane
alkyl pyridine isomer ^
C,..H-.-N isomer 1
C -alkyl pyridine isomer/
•
alkyl pyridine isomer 1
C. _H0_ isomer
15 32
n- tetrad ecane
C15H30 is°mer
C14H28° isomer
n-hexadecane
C15H30° isomer
n-heptadecane
ppb
T
T
21.9+12
NQ
11+6
T
19+8
T
14+6
4.2+2
T
NQ
NQ
T
29+18
NQ
T
NQ (trace)
4.2+2.1
—
NQ
18 .6+7.5
8.4+2.4
NQ (trace)
6.7+2.2
T
1.9+0.3
0.7+0.3
T
0.6+0.4
Chromato- Elution
graphic Temp . Compound
Peak No. (°C)
290
-------
Table C4. VOLATILE ORGANICS IN OMEGA-9 RETORT WATER FROM IN SITU
OIL-SHALE PROCESSING
Chromato-
graphic
Peak No.
1
1A
2
2A
2C
3
4
5
6
6A
7
7A
8
9
10
10A
11
12
13
14
15
16
17
17A
18
ISA
19
20
21
21A
22
23
23A
24
25
26
27
28
29
29A
30
31
Elution
Temp.
41
45
50
51
51
58
60
61
66
69
71
71
72
76
77
78
85
86
88
90
94
94
95
97
97
98
99
102
103
104
104
105
106
106
108
109
110
111
112
112
113
114
Compound
co2
butene isomer (tent.)
acetone
acetonitrile
isopropanol
ter-butanol
propionitrile
methyl ethyl ketone +
hexaf luorobenzene (e$I
perf luorotoluene (eS)
isobutyronitrile
benzene
thiophene
methyl isopropyl ketone
n-butyronitrile
2-pentanone
3-pentanone
o-methylbutyronitrile
4-me thy 1- 2-pentanone
2-me thy 1- 3-pentanone
AFTER INCUBATION
(LERC, ERDA)
ppb
NQ
95+44
23+11
9+4
8.5+2.5
10+4
152+67
1.1+0.4
37+18
4.6+3
9.6+4.8
NQ
123+42
11+6
5+3
51+20
11 .3+1.9
3-methyl- 2-pentanone + pyrrole
+ toluene
n-pentylnitrile
3 -hexanone
2-hexanone
thiacyclopentane
cyclopentanone
4-me thy Ipentylnitrile
pyridine
3-methyl acetylacetone
5-methyl-3-hexanone
2-me thy 1-3-hexanone
2-me thy Icy clop entanone
2-me thy Ithiacyclopentane
C,H..,0_ isomer
O J.U ^
C-H ,0 isomer
2-me thy Ipyridine
C-H.,0 isomer
C.H,, or C,H, .0 isomer
o io / L£
4-heptanone
B~hexylnitrile
dimethy Ithiacyclopentane
isomer
C_H. «0 isomer
3-heptanone
2-heptanone
0.4+0.2
5.0+2
12.8+6.2
38+14
1.9+0.9
2.9+1.4
NQ
185+121
T
T
T
T
+ NQ
5.1+2.5
17.8+8.8
3.8+1.8
4+1
8.2+4
5.9+2.4
NQ
43+10
30+24
52+18
Chroma to-
graphic
Peak No.
31A
32
33
34
35
35A
36
37
38
39
40
40A
41
41A
4 IB
42
43
44
45
46
46A
47
48
49
50
50A
51
52
53
55
AT
75 °F FOR 2 MONTHS
Elution
Temp . Compound
116
116
118
119
121
121
122
123
124
125
125
126
126
128
128
129
131
132
133
134
135
139
140
141
143
144
145
148
154
193
C8H14° isomer
C_-alkyl pyridine isomer "N
C?-alkyl pyridine isomer S
C_-alkyl pyridine isoraer J
CfiH 0 isomer
C H -0 isomer
C0H.,,0 isomer
o Xb
C_-alkyl pyridine isomer
2-me thy Icy clohexanone
2-octanone
aniline
C_-alkyl pyridine isomer
C2-alkyl pyridine isomer
n-fteptylnitrile (tent.)
C0H, ,0 isomer
8 14
C_-alkyl pyridine isomer
cyanobenzene
C8H16° + C8H14° is°ners
C-H.,0 isomer
C -alkyl pyridine isomer
C . -alkyl pyridine isomer
C^-alkyl pyridine isomer
trimethylcyclohexanone isou
C.-alkyl pyridine isomer
CoH.,,0 isomer (tent.)
C-HlnO. isomer (tent.)
o 1U Z
C,HgN isomer
C, -alkyl pyridine isomer
C -alkyl pyridine isomer
C12H24°3 ls°mer
ppb
T
240+32
T
T
0.96+0.2
T
T
19+12
17+8
T
2.5+1.2
T
T
14.2+5
49+20
18+4.8
0.5+0.3
0.5+0.2
T
NQ
ler 0.6+
NQ
T
T
NQ
5.7+2.8
5.1+2.7
NQ
291
-------
7000-;
S
0
O H 0 0 0 -^
Hn
n) 3000-^
£000-^
J-J 1000-
cfl
I
e DO
Hf.." F>1
3, V Ih" ° J
J!
i
I I'
I
19 OJ
Mass Spectrum No.
Figure C2. Profile of volatile organics in aqueous condensate (-1L) from low btu
gasification of Rosebud coal (MERC, ERDA).
-------
Table C5. VOLATILE ORGANICS IN AQUEOUS CONDENSATE (-1L) FROM LOW BTU
GASIFICATION OF ROSEBUD COAL (MERC, ERDA)
Chromato-
graphic
Peak No.
1
4
5
7
8
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
Elution
Temp.
50
63
64
75
75
77
79
85
85
88
92
102
103
105
106
107
109
111
112
114
115
119
121
123
123
124
124
124
127
128
129
130
134
134
134
136
140
142
144
144
144
144
145
146
147
148
Compound
co2
acetaldehyde
C.H,_ Isomer
4 10
perfluorobenzene (eS)
n-hexane
methyl ethyl ketone
perf luorotoluene (eS)
benzene
thiophene
C,H. , isomer
6 14
Cx-H. , isoraer
C_H- - isomer
/ ID
C^H-, isomer
/ ID
toluene isomer
methyl thiophene isomer
methyl thiophene isomer
C^IL, isomer
C7H16 isomer
P H -1
C7H16 isomer
C^H, , isomer
C^H.. , isomer
CO^T o Isomer
o lo
pyridine
ethylbenzene
C-H , Isomer
o ID
p_-xylene + m-xylene
C-H,, isomer
o ID
phenylacetylene
dimethylthiophene isomer
C-H „ isomer
O lo
styrene or cyclooctatetraene
C0Hn , isomer
0 10
o-xylene
C-H - isomer
o lo
anisole
benzaldehyde
C-H-Q isomer
methylstyrene isomer
C -alkyl benzene isomer
C--alkyl benzene isomer
C-H - Isomer
C -alkyl benzene isomer
C_H^g isomer
C-H-- isomer
cyanobenzene
C, -alkyl benzene isomer
ppb
28.6
NQ
21.4
14.2
623
T
T
T
T
13
706
38.8
37.4
T
6.0
8.8
T
T
T
95.2
57.6
T
57.2
4
17.2
9.8
31
85.6
T
133.4
6.2
3.8
38.0
T
T
222
26
T
23.4
T
T
8.2
4.0
Chroma to-
graphic
Peak No.
52
S3
54
55
56
57
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
Elution
Temp.
148
149
150
151
152
152
156
157
160
162
162
164
164
165
166
167
168
169
169
170
171
173
173
173
173
173
174
175
177
178
179
181
183
183
183
186
186
188
189
190
191
192
192
193
194
197
Compound
C9H18 isomer
CgH-.. isomer
methylstyrene isomer
aniline
benzofuran
C--alkyl benzene isomer
C,,.H_2 isomer
C H „ isomer
C4-alkyl
indan
dimethylstyrene isomer
indene
C,-alkyl benzene isomer
C10H20 lsomer
C, -alkyl benzene isomer
C10H22 isomer
C10H20 i30mer
C , H-,-benzene isomer
4 7
nitrobenzene
C10H22 iaomer
C, -alkyl benzene
C.H^-benzene isomer
4 7
methylbenzofuran isomer
C,,H-, isomer
C -alkyl benzene Isomer
C,.H-- Isomer
methylbenzofuran isomer
C. -alkyl benzene isomer
methylbenzofuran isomer
C .-alkyl benzene isomer
C-.-.H2Q isomer
methylindan isomer
methylindene Isomer
C,H_,-benzene Isomer
4 7
C -alkyl benzene isomer
C -alkyl benzene isomer
methylanisole isomer
C11H24 lsomer
naphthalene
C -alkyl benzene isomer
dimethylindan isomer
C^-H_, isomer
dimethylindan isomer
dimethylbenzofuran isomer
C, -alkyl benzene isomer
fa
dimethylindan Isomer
ppb
3.0
T
T
1143
171
T
4.0
4.4
6.4
114
T
375
9.0
11.0
12.0
T
T
13.2
37.2
3.0
T
T
38
T
40
35
176
T
57.2
T
T
34.2
98
21
22
23
9.6
6.4
914
T
T
T
91
91
T
22.8
(continued)
293
-------
Table C5 (cont'd)
Chromato-
graphic
Peak No.
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
Elution
Temp.
198
199
200
200
201
202
204
205
206
206
207
208
209
210
211
212
212
214
215
216
219
221
222
223
232
Compound
C^-alkyl benzene isomer
o
C,H, -.-benzene isomer
D 11
dimethylindan isomer
naphthol
C12H26 isolner
dimethylindan isomer
C ,Hn T -benzene isomer
6 11
dimethylindole isomer
C,H ., -benzene isomer
6 li
C.-alkyl benzene isomer
o
6-methylnaphthalene
C,Hn , -benzene isomer
D IX
methylbenzothiophene (tent.)
a-methylnaphthalene
C-H., -benzene isomer
6 11
C H --benzene isomer
C?-alkyl benzene isomer
C^H. --benzene isomer
C^H, --benzene isomer
C14H26 isomer
biphenyl
C7H -benzene isomer
C11H24 lsomer
CQ-alkyl benzene isomer
o
diphenoxy benzene
ppb
T
T
22.8
37.6
T
11.4
T
18.2
T
T
3162
T
T
248
T
T
21
T
T
T
38
T
T
T
T
Chromato- Elution
graphic Temp. Compound ppb
Peak No. (°C)
294
-------
U3
4-J
w
a)
a)
t-i
; n n rj -j
d! H o 0 n -
O
H E1 o Ci n -j
Ol
0-1
3
^ 3
0) n -^" r rr^r'.-
...JOT
5 9
p
il
1 t
', | "'.|..ir"|""i""i | ""| | | -M|"'i""|""r"|""r"|'"'""l I""'"'1! ""|"" |""i""|""l""l | | |.iii|..i.r. r.T"'| | |"" I | | | ^....p,,,,,.^..^. t , , , , | 1
60 70 60 90 10 20 10 40 60 70 80 90 10 ZO 30 40 60 70 80 90 10 20 30 40 60 70 80 90 10 20 30 40 60
1350 1400 14SO 1500 1SSO 1400 165 I) 1700 I? 50
Mass Spectrum No.
Figure C3. Profile of volatile organics in aqueous condensate (-2L) from low btu gasification of
coal (MERC, ERDA).
-------
Table C6. VOLATILE ORGANICS IN AQUEOUS CONDENSATE (-2L) FROM LOW BTU
GASIFICATION OF ROSEBUD COAL (MERC, ERDA)
Chromato-
graphic
Peak No.
1
2
4
6
8
9
10
12
14
15
16
17
18
19
20
21
22
23
24
25
27
28
29
30
31
32
33
34
35
36'
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
Elution
Temp.
49
50
54
59
63
70
71
74
77
79
81
81
85
87
96
100
101
104
106
110
116
121
123
124
124
126
127
128
129
131
132
133
136
137
141
143
143
144
144
147
147
148
148
149
149
150
Compound
N2 + 02
co2
C.Hg isomer
C4H10 isomer
acetone
perf luorobenzene (eS)
CSH isomer
perfluorotoluene (eS)
C5H12 isomer
benzene
thiophene
C,H, . isomer
6 14
C,H. , isomer
6 14
C,H. . isomer
6 14
C-H.. , isomer
7 16
toluene
methylthiophene isomer
C,H_, isomer
/ lo
C-.H. , isomer
/ ib
CyH. , isomer
CQH Q isomer
o lo
ethylbenzene
CflH.., isomer
o Ib
m- and p_-xylene
dimethylthiophene isomer
C H isomer
O J.O
ppb
-
NQ
NQ
100+20
154+66
T
308+134
4.5+1
57+10
90+17
84+33
T
381+83
T
T
33+17
T
20+13
38+7
40+20
210+67
32+24
T
styrene and/or cyclooctatetraene 12+3
o-xylene
C0H., isomer
0 ID
dimethylthiophene isomer
CqH-,. isomer
anisole
C_-alkyl benzene isomer
C9H20 isOTier
C -alkyl benzene isomer
benzaldehyde
C -alkyl benzene isomer
C9H18 isomer ^
CgH2Q isomer J
C. -alkyl benzene isomer
methylpyridine isomer
C.H isomer
CnH2- isomer
benzofuran
methylpyridine isomer
C -alkyl benzene isomer
16+8
23+5
47+10
T
4.6+1.4
T
T
T
T
107+10
67+33
T
47+10
33+20
T
59+40
38+11
144+18
Chromato-
graphic
Peak No.
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
(continued)
Elution
Temp . Compound
152
154
154
155
155
158
158
160
161
162
164
165
165
166
167
168
168
168
168
170
170
171
171
172
173
176
179
180
180
180
181
182
183
184
184
185
186
187
188
189
189
189
190
190
191
192
methylpyridine isomer
C-^H,.,- isomer
CqH1R isomer
unknown
methylanisole isomer
C, -alkyl benzene isomer
C. -alkyl benzene isomer
indan
indene
C, -alkyl benzene isomer
C, -alkyl benzene isomer
C.. nH_ -. isomer
C,-H-. isomer
10 22
C, -alkyl benzene isomer
C-i rtH~« isomer
10 20
C,-alkyl benzene isomer
C10H22 lsomer ^1
C, -alkyl benzene isomer\
C/Hy -benzene isomer J
C.Hq-benzene isomer
C.H -benzene isomer
^11H22 isonler
methylbenzofuran isomer
C11H24 lsomer
C.HQ-benzene isomer
C.H -benzene isomer
methylindan isomer
C^H -benzene isomer ^
C.^H_« isomer f
methylindan isomer
methylindene isomer
methylindan isomer
CjH -benzene isomer
methylindene isomer
ethylphenol isomer
C.-alkyl benzene isomer
C .-alkyl benzene isomer
C11H24 lsomer
naphthalene
dimethylindan isomer
C. -alkyl benzene isomer
C12H24 lsomer
C,_H_, isomer
dimethylindan isomer
C,H,^ -benzene isomer
6 13
dimethylbenzimidazole (tent
ppb
16+7
T
T
T
T
301+104
33+20
112+53
114+40
T
17+8
10*2
13+3
T
T
T
82+44
T
T
73+60
127+50
177+37
367+74
T
19+7.4
37+6
39+19
57+37
24+20
80+37
55+37
NQ
T
T
T
817+445
47+24
84+23
96+35
74+34
82+44
T
) 35+11
296
-------
Table C6 (cont'd)
Chromato-
graphlc
Peak No.
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
134
Elution
Temp.
(°C)
193
196
196
196
196
199
200
200
201
201
202
203
204
205
206
206
207
208
208
210
210
211
211
211
214
216
217
219
220
221
224
225
240
Compound
CgH^-benzene isomer "\
C,H, -benzene isomer
6 13 V
C,H, --benzene Isomer (
O U 1
dimethylindan isomer >/
C^HT --benzene isomer
b 1J
C.HT-benzene isomer
4 7
C,Hq-benzene isomer
C,H_T -benzene isomer
0 -L-i
dimethylindole (tent.)
C,,H, , isomer
11 14
CH. 2 -benzene isomer
C,H_, -benzene isomer
O 1J
C.-H,, isomer
11 14
C,H, ,, -benzene isomer
o J.J
3-methylnaphthalene
C, ,H00 isomer
13 28
C,H-0 -benzene isomer
D U
C,H.,, -benzene isomer
o u
CH -benzene isomer
a-methylnaphthalene
C.-Hnn -benzene isoraer
D U.
C,H... -benzene isomer >
0 IX 1
C-H.e-benzene isomer S
C_H -benzene isomer J
C0H, , -benzene isomer
o Li
C13H18 isomer^.
Ci;H., isomer/
14 26 '
C H1Q isomers
13 18 1
C .H-. isomer \
14 24 /
C..H,,, isomerj
14 30 ^
C. CH. . isomer
15 24
CgH.._-benzene isomer
dibenzofuran
ppb
38-1-11
T
6.7+3.3
T
3.3+2.0
32+31
17+7
3.3+2.0
T
17.3+6.7
—
T
350+83
38+5
T
T
T
143+67
T
10+4.7
T
39+11
11+6
T
T
T
Chromato- Elution
graphic Temp. Compound
Peak No. (°C)
297
-------
Table C7.
VOLATILE ORGANICS IN TAR (-3T) FROM KNOCK-OUT CHAMBER DURING
LOW BTU GASIFICATION OF ROSEBUD COAL (MERC, ERDA)
Chromato-
graphic
Peak No.
1
2A
2B
4A
4B
4C
5
5A
6A
6B
6C
7
8
10
IDA
12
12A
12B
12C
12D
13
14
14A
15B
16
16A
16B
16C
17
17A
17B
18
ISA
18B
18C
18D
18E
18F
18G
19
19A
20
21
21A
22
Elution
Temp .
51
54
55
58
60
60
61
62
64
68
69
71
72
77
77
82
88
89
89
90
102
108
110
121
123
126
127
127
128
129
130
131
133
134
135
138
138
139
141
142
143
144
146
147
148
Compound
co2
1-butene
n-butane
acetaldehyde
furan
n-pentane
propanal + propenal
diethyl ether
C,H_0 isomer + acetone
C..H- _ isomer
G6*L, isomer
hexafluorobenzene (eS)
n-hexane
perfluorotoluene (eS)
methylcyclopentane
benzene
C_H. , isomer
/ ID
C_H. , isomer
/ lo
C,H , Q0 isomer
n-heptane
toluene
C,H.. _0 isomer
O LL
n-octane
ethylbenzene
£-xylene
3-heptanone
styrene
2-heptanone
o-xylene
n-heptanal
CqH-, ,, isomer
n-nonane
CQH, Q isomer
9 is
C^gH iscraer
isopropylbenzene + CL-H,,™
isomer
CnH.,.0 isomer
o lo
C10H20 iscmer
C-.-.H..,- isomer
C ,.H-2 isomer
n-propylbenzene
benzaldehyde
_p_-ethyl toluene
1, 3, 5-trimethylbenzene
C,-alkyl thiophene isomer
C10H22 isolner
ppm
NQ
NQ
T
T
4+2
T
2.8+1
T
T
T
400+200
T
29+7.6
T
T
T
2+1
T
T
T
T
22+6
T
T
T
5+3
T
T
10+6
T
T
T
T
T
T
T
T
29+14
20+10
24+6
T
T
Chromato-
graphic
Peak No.
23
23A
23B
23c
23D
24
24A
26
26A
26B
26C
26D
27
27A
27B
28
28A
29
29A
30
31
31A
32
33
33A
33B
34
35
36
36A
37
37A
37B
38
38A
39
39A
39B
39C
40
40A
40B
41
(continued)
Elution
Temp.
150
151
151
152
152
153
153
155
155
156
157
158
158
159
159
161
161
162
163
163
164
165
166
167
167
168
168
169
170
170
171
172
173
173
174
174
175
175
176
176
177
178
179
Compound
o-ethyltoluene
C,_H_,. + C.-alkyl thiophene
10 20 3
isomers
2-octanone
C10H20 lsomer
ct-methylstyrene
1,2, 4-tr imethylbenzene
C10H18 + C10H20 isoniers
n-decane
C1 nH?n isomer
C_-alkyl thiophene isomer
C,nH_- isomer
C,-alkyl benzene isomer
1,2, 3-trimethylbenzene
C,-alkyl benzene isomer
C11H24 lsomer
indan
C,-alkyl benzene isomer
indene
C11H22 isomer
C,-alkyl benzene isomer
n-butylbenzene + m-diethyl-
benzene
C,-alkyl thiophene isomer
CgH 0 + C..H-, isomers +
acetophenone
propyltoluene isomer
C11H24 isomer
C10H12 + C11H22 isomer
C,-alkyl benzene isomer
2-nonanone + C._H. „ isomer
C,-alkyl benzene isomer
C, -H, 0 isomer
10 12
C11H22 isomer
methylbenzimidazole isomer
C--alkyl benzene isomer
n-undecane
C,-alkyl benzene isomer
methylbenzofuran isomer
C,_-alkyl benzene isomer
C11H22 lsomer
C.,!!,, isomer
11 14
C,-alkyl benzene isomer
C11H14 lsomer
C, 0H_, isomer
12 26
C_-alkyl benzene isomer
ppm
20+8
20+5
T
T
40+10
64+32
11+3
60+20
31+4 . 2
T
T
56+28
T
T
T
69+30
T
120+40
T
T
48+29
T
660+154
T
T
T
T
60+20
T
T
6+2
60+10
T
320+100
T
186+123
T
T
T
T
T
T
9+3
298
-------
Table C7 (cont'd)
Chromato-
graphic
Peak No.
41A
42
42A
42B
43
43A
43B
44
44A
45
45A
46
46A
46B
47
47A
47B
47C
47D
48
48A
48A
49
49A
50
50A
SOB
50C
51
51A
51B
51C
52
52A
53
54
55
Elution
Temp.
(°C)
179
180
180
181
181
182
182
183
184
185
186
187
188
188
189
190
190
191
191
192
192
193
194
194
195
195
196
197
197
198
198
199
199
200
200
201
202
Compound
C H isomer
methylindan isomer
0,,-alk.yl benzene isomer
C H isomer
11 22
methylindene isomer
methylindan isomer
C, -alkyl benzene isomer +
n-pentylbenzene
methylindene isomer
C5~alkyl benzene + C H^
isomers
C, -alkyl benzene isomer
C12H26 iSOmer
C .-alkyl benzene isomer
C,, -alkyl indan isomer +
3-decanone
2-decanone
naphthalene
C12H24 fsonier
C,,H, , isomer
11 14
benzothiophene
C2-alkyl indan + C^ alkyl
benzene isomers
n-dodecane
dimethylbenzofuran isomer
Cg-alkyl benzene isomer
dimethylbenzofuran isomer
C,,H_0 isomer
13 28
dimethylbenzimidazole isomer
C, -alkyl benzene isomer
C,_H_. isomer
U ZO
C^-alkyl indan isomer
C2-alkyl indan + Cg-alkyl
benzene isomers
C, -alkyl indan + C.-H-,
isomers
C, -H-, + C, -alkyl benzene
.Lj Zo o
isomers
C11H12 lsomer
C.-H., isomer
U ZO
C11H12 + C3~alky1 ln
-------
Table C8. VOLATILE ORGANICS IN AQUEOUS CONDENSATE (-4L) FROM LOW BTU
GASIFICATION OF ROSEBUD COAL (MERC, ERDA)
Chromato-
graphic
Peak No.
1
IB
1C
ID
3
3A
3B
4
4B
5
5A
6
7
7A
7B
8
8A
9
10
10A
11
12
12A
12B
13
14
14A
14B
14C
ISA
15B
15C
16
17
17A
17B
18
18A
19
20
20A
21
21A
21B
22
22A
Elution
Temp . Compound
51
55
55
56
60
60
61
62
67
71
72
75
80
81
85
86
88
89
96
97
99
101
101
103
104
105
107
109
110
116
117
118
119
121
122
122
123
124
125
126
127
128
129
130
131
132
CO,
1-butene
n- butane
2-butene
acetaldehyde
furan + n-pentane
propanal + propenal
acetone
butanal (tent.)
hexaf luorobenzene (eS)
methyl ethyl ketone
perfluorotoluene (ei)
benzene
thiophene
cyclohexane
2-pentanone
3-pentanone
C,H-20 isomer (tent.)
4-methyl-2-pentanone
2-methyl-3-pentanone
3-methyl- 2-pentanone
toluene
2-methyl thiophene
3-methylthiophene
3-hexanone
2-hexanone
3-methylpentanal (tent.)
C-H.., isomer
n-octane
diisopropyl ketone
C~H..,0 isomer
C-Hj-0 isomer
CQH 0 isomer
o 10
e thy Ibenzene
ethylthiophene isomer
dimethylthiophene isomer
p_-xylene
dimethylthiophene isomer
3-heptanone
2-heptanone
styrene
o-xylene
CgM, o isomer
dimethylthiophene isomer
n-nonane
anisole
ppb
NQ
T
T
92+53
7+4.3
8.3+4.0
259+50
42+33
22+8.3
1214+325
59+5.7
5.7+3.7
12.3+5
T
18+3.3
78+33
93+42
446+222
121+44
134+17
107+23
86+37
202+67
185+42
T
11+5
T
T
T
T
104+42
83+42
14+3.3
61+25
28+3.3
67+33
195+50
83+48
181+17
T
14+2.6
42+25
5+2
Chroma to-
graphic
Peak No.
22B
23
23A
23B
24
25
25A
26
26A
27
28
28A
28B
28C
29
29A
30
30A
30B
31
32
32A
32B
32C
32D
33
34
35
36
36A
37
37A
38
39
39A
39B
40
41
42
43
(continued)
300
Elution
Temp . Compound
133
135
135
136
137
139
140
141
142
143
144
145
146
146
147
148
150
150
151
152
154
155
155
156
157
158
160
162
163
164
164
165
165
166
167
167
168
169
169
170
CqH,g isomer
isopropy Ibenzene
C.-Hjj isomer
4-methyl-3-heptanone
2-methyl-3-heptanone
3-methyl-2-heptanone +
a-methylstyrene
octanone isomer
n-propy Ibenzene
benzaldehyde + C.-alkyl
thiophene isomer
m-ethyl toluene
1,3, 5-trimethy Ibenzene
C.-Hj- isomer
C_-alkyl thiophene isomer
C10H20 i80mer
o-ethyltoluene
C,-alkyl thiophene isomer
2-octanone
C10H16 lsomer
benzofuran
1,2, 4-trimethy Ibenzene
+ C...!!^ isomer
n-decane
C10H20 lsomer
C,-alkyl thiophene isomer +
phenol
C,-alkyl benzene isomer
ter-butyl benzene
1,2, 3-trime thy Ibenzene
indan
indene
sec-buty Ibenzene
C,-alkyl benzene isomer
isobuty Ibenzene + C,-alkyl
thiophene isomer
C,-alkyl thiophene isomer
CQH. 00 isomer
y J.O
£-propyltoluene
C^-alkyl thiophene isomer
methylindan isomer
C,-alkyl benzene Isomer +
3-nonanone
2-nonanone
C,-alkyl benzene isomer
methylindan isomer
ppb
T
26+5
T
T
13+3.3
4.3+2
T
T
T
278+5.6
139+17
T
T
T
148+17
20+5
188+100
T
267+67
198+100
134+43
T
NQ
T
T
361+200
247+47
363+75
83+17
T
95+33
T
T
99+50
T
T
T
156+83
T
52+19
-------
Table C8 (cont'd)
Chromato-
graphic
Peak No.
43A
44
44A
45
46
46A
47
48
49
50
51
51A
52
52A
52B
53
53A
54
54A
55
55A
56
56A
57
58
58A
58B
58C
59
60
60A
60B
61
62
62A
62B
63
64
64A
65
65A
Elution
Temp . Compound
171
171
172
173
174
174
175
176
177
177
179
179
180
181
181
182
183
184
185
185
186
187
187
188
189
189
190
191
191
193
194
194
195
197
198
198
199
200
200
201
201
C..H22 + C,-alkyl benzene
isomers
2-methy Ibenzimidazole
C -alkyl benzene isomer
n-undecane
2-methy Ibenzofur an
C _-alkyl benzene isomer
C..H_2 + methylbenzofuran
isomers
tetramethylbenzene isomer
C12H26 :i-somer
C11H14 + C12H16 Is0mers
C. -alkyl benzene isomer
C,_H.,, isomer
i/ ID
C11H14 lsomer
C, -alkyl benzene isomer
methylindene isomer
methylindan isomer
pentylbenzene
methylindene isomer
C^-alkyl benzene isomer
C. -alkyl benzene isomer
C. -alkyl benzene isomer
3-decanone
dimethylindan Isomer
2-decanone
naphthalene
dimethylindan isomer
benzothiophene
dimethylindan isomer
n-dodecane
5 , 6-dimethy Ibenzimidazole
C13H28 is°mer
C.,-alkyl Indan isomer
C, -alkyl benzene isomer
C11H14 isomer
C, -alkyl benzene isomer
o
C12H16 + methyldihydro-
naphthalene isomers
C, -alkyl benzene + C.-H2,
isomers
C, , H- , isomer
11 14
C, -alkyl benzene isomer
hexylbenzene
6-methyl-l, 2-dihydro-
naphthalene
ppb
T
58+16
T
259+59
391+20
T
60+20
T
T
T
T
T
T
T
222+40
90+43
60+20
209+78
T
8+1.7
T
139+67
T
T
5121+1336
T
52+20
I
297+74
T
T
20+3
40+2
T
T
18+3
T
26+11
T
18+5
42+16
Chromato-
graphic
Peak No.
66
66A
67
68
69
69A
70
71
72
73
74
75
75A
76
76A
77
77A
78
78A
79
80
81
82
82A
83
83A
83B
83C
83D
Elution
Temp . Compound
202
202
203
204
205
205
206
208
209
210
211
212
213
214
215
216
216
217
217
218
220
221
223
224
226
229
240
240
240
C, -alkyl benzene isomer
C. -alkyl indan isomer
methyldihydronaphthalene
isomer
2-undecanone + C H, , isomer
I/ ID
C13H26 is°mer
C, -H. , isomer
J.Z ID
n-tridecane + 8-methyl-
naphthalene
C12H16 isomer
a-methylnaphthalene
C, -H- £ isomer
12 16
C,,H1Q + C., -alkyl benzene
l-j 10 /
isomers
C--alkyl benzene isomer
C, -H. o isomer
^14H28 *somer
C15H32 ^somer
phenylheptane
C, -alkyl indan isomer
C_-alkyl benzene isomer
C15H14 ±30iner
C. rH~~ isomer
C14H28 is°mer
n-tetradecane
C^.H-j isomer
dimethylnaphthalene isomer
dimethylnaphthalene isomer
dimethylnaphthalene isomer
trimethylnaphthalene isomer
trimethylnaphthalene isomer
C_-alkyl naphthalene isomer
ppb
2.6+1
T
118+50
65+33
3.3+1.7
T
967+225
T
278+26
T
T
T
T
T
T
25+5
T
T
T
5.6+1
5.3+1
185+45
74+44
12+3.3
24+5
9+3.3
5+3
11+3 . 7
2.6+0.6
301
-------
Table C9. VOLATILE ORGANICS IN TAR (-51) FROM KNOCK-OUT CHAMBER DURING
LOW BTU GASIFICATION OF ROSEBUD COAL (MERC, ERDA)
Chromato-
graphic
Peak No.
1
2A
2B
2C
3
3A
3B
4
4A
5A
SB
6
7
9
9A
9C
9D
9E
9G
9H
91
10
11
12
14A
14B
14C
14D
14E
15
ISA
16
16A
16B
16C
16D
16E
17
17A
17B
18
19
19A
19B
19C
Elution
Temp.
50
53
54
57
58
59
60
60
62
63
69
71
72
76
77
81
83
85
88
89
90
102
109
110
119
121
123
127
128
128
129
131
135
136
139
143
144
145
146
147
148
149
150
151
151
Compound
co2
1-butene
n-butane
C(.H Q isomer
acetaldehyde
furan
n-pentane
propanal + propenal
diethyl ether
acetone
C,H, . isomer
D 14
hexafluorobenzene (e£)
n-hexane
per fluoro toluene (eS)
methylcyclopentane
benzene
C_H_ , isomer
/ ib
C-H-,. isomer
/ lo
C-.H.. ., isomer
7 16
C5H1Q0 isomer (tent.)
C_H, ,, isomar
/ ID
toluene
C,Hn -0 isomer
6 12
n-octane
furfural (tent.)
ethyl benzene
£-xylene ,
styrene
2-heptanone
o-xylene
CgH isomer
n-nonane
C«H, ,.0 isomer + isopropyl-
benzene
C10H22 lsomer
C,nH, isomer
1U ZZ
n-propylbenzene
benzaldehyde
in-ethyltoluene
C,-alkyl thiophene isomer
1,3, 5-trimethylbenzene
C10H22 isoiner'
o-ethyl toluene
2-octanone
C10H20 isomer
a-methylstyrene
ppm
NQ
NQ
T
29+10
T
7+3.5
T
T
T
T
4.2+2
3.8+0.6
21+3
T
T
T
T
T
415+207
11+2 . 4
T
T
5.6+0.6
10+1
T
T
13+3.4
T
38+3
T
T
T
T
14 .2+6.4
T
T
T
T
7.2+3.6
T
T
29+12
Chroma to-
graphic
Peak No.
20
22
22A
22B
22C
23
23A
24
24A
25
25A
26
26A
27
27A
28
29
29A
29B
30
30A
31
31A
32
32A
32B
32C
33
34
34A
34B
34C
35
35A
36
36A
37
37A
38
38A
39
40
40A
41
(continued)
Elution
Temp.
152
154
155
156
156
157
158
160
160
161
162
162
163
164
164
165
166
166
167
168
168
169
169
170
171
171
172
172
173
173
174
174
175
175
176
IT!
178
178
179
179
180
181
181
182
Compound
1,2,4-trimethylbenzene
n-decane
C10H20 isomer
phenol
C10H20 is°mer
1,2,3-trimethylbenzene
C.-alkyl benzene isomer
indan
C.-alkyl benzene isomer
indene
C.-alkyl benzene isomer
C.-alkyl benzene isoraer
C.-alkyl benzene isomer
sec-butylbenzene
C.-alkyl thiophene isomer
acetophenone
C.-alkyl benzene isomer
C.-alkyl thiophene isomer
C,nH.- isomer
10 12
C.-alkyl benzene isomer
2-nonanone
C.-alkyl benzene isomer
C, _H, „ isomer
10 12
C11H22 + C4~alky1 benzene
isomers
methylbenzimidazole isomer
C-.-jH.jr, isomer
C -alkyl benzene isomer
n-undecane
methylbenzofuran isomer
C.-alkyl benzene isomer
C.-alkyl benzene isomer
C11H22 isomer
tetramethylbenzene isomer
C,-H-, isomer
iz Zb
C, .H., „ isomer
10 12
C11H14 isomer
C.-alkyl benzene isomer
C.-alkyl benzene isomer
C10H12 1S°mer
C.-alkyl benzene isomer
C.-alkyl benzene isomer
methylindene isomer
methylindan + C.-alkyl benzene
isomers
methylindene isomer
ppm
21.4+10
T
T
NQ
T
62 . 8+20
11.8+3.8
30+4
15+2.4
57.2+28
T
12.4+3
3.4+2.2
T
1+0.6
T
11+3.4
13 .2+3.6
10+5
15.8+3.8
30.6+14
T
T
T
14.2+7.2
T
T
160+40
91+44
T
T
T
T
T
T
T
T
T
T
T
T
152+70
76+28
157+64
302
-------
Table C9 (cont'd)
Chromato-
graphic
Peak No.
41A
41B
42
42A
43
43A
44
45
45A
45B
46
46A
46B
46C
47
48
48A
48B
49
49A
49B
50
50A
51
52
53
54
54A
55
56
57
57A
58
59
59A
60
Elution
Temp.
182
183
183
185
185
186
186
187
188
188
189
190
191
192
192
193
194
195
195
196
196
197
198
199
200
201
202
202
203
204
205
205
206
208
209
210
Compound
C,.-alkyl benzene isomer
C12H26 + C10H20° 1SOnler
C,--alkyl benzene isomer
C ,,-alkyl benzene isomer
CT „!*„,, isomer
-L/ iO
dimethylindan isomer
2-decanone
naphthalene
C2~alkyl indan + C12H2A
isomers
benzothiophene
C -alkyl indan isomer + n-
dodecane
dimethylbenzof uran isomer
C.-alkyl benzene + C- _H_ ,
isomers
dimechylbenzofuran isomer
C13H28 is°mer
C,.-alkyl benzene isomer
C, -alkyl indan isomer
C. -.H,,,. + C0-alkyl indan
U ^.b £
isomers
C, -alkyl benzene isomer
C_-alkyl indan isomer
C, -alkyl benzene isomer
Cn,H0, + C, -alkyl benzene
1J zb b
isomers
C12H14 isomer
phenyl-n-hexane
methyldihydronaphthalene +
C H.- + C, -alkyl benzene
isomers
methyldihydronaphthalene
isomer
C14H30 + C7~alky:1- benzene
isomer
C, -alkyl indan isomer
2-undecanone
C, _H, , isomer
Iz lb
C H-, isomer
1J Zb
C, -alkyl indan + C. ,H-a isomers
n-tridecane + B-methylnaphtha-
lene
C, -H. , isomer
iz lb
C_-alkyl benzene isomer
a-methylnaphthalene
ppm
23+3.4
16+4
15 . 6+2
11+3
T
T
57+29
2890+500
T
61+25
390+140
152+65
T
202+40
T
T
T
T
T
T
T
T
T
28.6+14
143+45
171+62
T
T
3.6+3.2
40+10
78+22
40+10
1267+ 240
T
T
714+240
Chromato-
graphic
Peak No.
61
61A
62
62A
63
63A
63B
64
64A
65
65A
65B
66
67
67A
67B
68
68A
69
69A
69B
69C
69D
69E
69F
70
71
73
74
Elution
Temp.
211
212
212
213
214
214
215
215
216
216
217
217
218
219
220
220
221
222
223
223
224
225
226
227
227
228
229
234
236
Compound
C, ,H. , isomer
IZ lo
C -alkyl benzene isomer
C, -alkyl indan isomer
C14H28 ls°mer
C12H16 + C13H18 + C13H26
isomers
C15H30 isomer
C12H14 isomer
pheny 1-n-hep tane
C, -alkyl indan isomer
C H , + C7-alkyl benzene
isomers
C, -alkyl indan isomer
C14H28 isomer
C ,H isomer
C H isomer
C. .H., isomer
C13H18 iSOmer
n-tetradecane
C13H18 lsomer
C..H... isomer
14 28
C15H30 lsomer
C0-alkyl benzene isoraer
o
C5-alkyl indan oic_ ^^E^
isomer
C,,H0. isomer
lo J/
C15H30 isomer
C0-alkyl benzene isomer
0
CQ-alkyl benzene + C.,C_0
7 ID Jf.
isomers
C16H32 lsomer
C15H30 ls°mer
n-pentadecane
ppm
T
T
T
T
19.8+3.8
T
T
42.8+15
11 . 2+2
15+5
20+10
20+5
22.4
235+3
40+10
35+15
T
T
T
T
T
T
T
T
T
T
60+22
51+12
77+29
303
-------
Table CIO. VOLATILE ORGANICS IN AQUEOUS CONDENSATE (-6L) FROM LOW BTU
GASIFICATION OF ROSEBUD COAL (MERC, ERDA)
Chromato-
graphic
Peak No.
1
2A
2B
3A
3B
3C
3D
4
5A
SB
5C
5D
6
6A
7
9
10
10A
11
11A
11B
12
12A
12B
12C
12D
12E
12F
12G
12H
121
13
13A
13B
14
14A
14B
14C
14D
16A
16B
16C
17
17A
18
ISA
Elution
Temp . Compound
50
53
54
58
58
59
59
60
66
67
68
69
70
70
71
74
75
76
80
81
82
86
88
89
90
93
94
95
96
98
99
101
103
105
106
107
108
109
110
115
116
117
118
120
121
122
co2
1-butene
n-butane
acetaldehyde + C^Q isomer
fur an
propanal + propenal
n-pentane + CjH^.. isomer
acetone
butanal
butenal isomer (tent.)
C,HT , isomer
6 14
propionitrile
hexafluorobenzene (eS)
n-hexane
methyl ethyl ketone
C,H, _ isomer
6 12
perfluorotoluene (eS)
methylcyclopentane
benzene
thiophene
methyl isopropyl ketone
2-pentanone
3-pentanone
C,H_, isomer
/ ID
2-methylbutanal (tent.)
pentanal (tent.)
C_H isomer
dimethyl disulfide
4-methyl- 2-pentanone
2-methyl- 3-pentanone
3- methyl- 2-pentanone
toluene
2-methylthiophene
3-hexanone
2-hexanone
3-methylpentanal (tent.)
n-hexanal ( t ent . )
n-octane
C0Hn isomer
o ID
5-methyl-3-hexanone
2-methyl-3-hexanone
C_H- isomer
C0H 0 isomer (tent.)
O ID
C..H, .0 isomer
7 14
ethylbenzene
ethylthiophene isomer
ppb
NQ
NQ
T
16+2.3
167+50
20+4.3
T
T
5+2.3
T
100+50
92+18
T
27+21
1457+170
45+57
T
260+79
10+5
18+6
9+7
T
T
T
17+5
83+33
33+17
9+5
117+44
75+40
209+83
T
6.7+3.4
T
29+15
32+17
T
T
T
160+40
19+14
Chromato-
graphic
Peak No.
18B
19
20
21
22
22A
23
23A
23B
24
24A
24B
24C
25
25A
25B
25C
25D
26
26A
26B
27
28
28A
29
29A
29B
30
31
31A
33
33A
33B
33C
3 3D
34
34A
34B
35
36
36A
37
(continued)
304
Elution
Temp. Compound
122
123
124
126
127
127
128
129
130
131
132
135
136
137
138
139
140
141
142
143
143
144
146
147
148
148
149
149
151
151
153
154
154
155
156
157
158
159
160
161
162
163
dimethylthiophene isomer
p_-xylene
dimethylthiophene isomer
3-heptanone
2-hep tanone
styrene
o-xylene
C-H,g isomer
dimethylthiophene isomer
n-nonane
anisole
isopropylbenzene
4-methyl-3-heptanone
2-methyl- 3-hep tanone
C10H20 ls°mer
3-methyl-2-heptanone + Di-
methyls tyrene
6-methyl-2-heptanone
5-methy 1- 2-hep tanone
n-propylbenzene
benzaldehyde
C_-alkyl thiophene isomer
_p_ or raethyltoluene
1,3, 5-trimethylbenzene
C.Ji~~ + C^-alkyl thiophene
1U t-t. j
isomers
o-ethyltoluene
3-octanone
C,-alkyl thiophene isomer
2-octanone
benzofuran
1,2, 4-trimethylbenzene
n-decane
C10H20 lsomer
C^-alkyl thiophene isomer
phenol
C,-alkyl benzene + C H-.O
isomers
1,2, 3-trimethylbenzene
C,-alkyl benzene isomer
alkyl alcohol (tent.) + C,-
alkyl thiophene isomers
indan
indene
sec-butylbenzene
isobutylbenzene + c~cymene
ppb
24+19
481+226
64+30
80+44
148+25
44+25
312+100
T
11+11
17+5.3
T
15+7 . 3
T
T
T
T
16.7+8.3
8.3+4.3
T
67+34
4+2
189+75
66+33
19+19
134+66
47+23
5.7+3.7
150+67
267+66
234+83
30+15
T
T
NQ
T
267+100
17+67
5.3+3.7
200+100
267+134
33+16
111+55
-------
Table CIO (cont'd)
Chroraato-
graphic
Peak No.
37A
38
38A
39
39A
40
41
41A
42
42A
43
44
44A
45
45A
45B
45C
46
46A
46B
47
47A
48
48A
49
49A
49B
49C
50
51
51A
5 IB
52
52A
52B
53
53A
54
55
55A
55B
Elution
Temp . Compound
164
164
165
166
167
167
168
169
170
171
172
173
174
175
176
177
178
179
180
180
181
181
182
183
183
184
184
185
186
187
188
189
189
190
191
191
192
193
195
196
197
C.-alkyl thiophene isomer
acetophenone
C.tUgO isomer
£-propy 1 toluene
3-nonanone
m-propyl toluene
ppb
T
10+5
T
16.7+10
T
70+50
2-nonanone + C,-alkyl benzene T
isomer
C. ..H. - isomer
CH22 isomer + 2-methyl-
benzimidazole
C.-alkyl benzene isomer
n-undecane
2-methylbenzofuran
C_-alkyl benzene isomer
tetramethylbenzene isomer
methylbenzofuran isomer
C AH_nO isomer
C.-alkyl benzene + C10H20°
isomers
methylindan isomer
C.-alkyl benzene + dimethyl-
phenol Isomers
C 2^26 + methylindene isomer
methylindan isomer
pentylbenzene
1-methyl-lH-indene
C11H14 isomer
C.-alkyl benzene isomer
C12H24 lsomer
dimethylphenol isomer
3-decanone
2-decanone
3.3+0.7
T
1
40+20
134+66
20+6
T
T
T
13+4.7
17+5.6
NQ
3 83+42
T
T
T
42+6.3
3.7+1
NQ
T
T
naphthalene 3574+267
benzothiophene
dimethylindan isomer
n-dodecane
CI_H. .0 isomer
C,-alkyl benzene isomer
dimethylbenzofuran isomer
C12H16 1SOmer
C11H14 isomer
89+43
T
T
T
1.7+0.3
134+78
1.7+0.7
37+17
ethylindan + C,-alkyl benzene 42+17
isomers
C,-alkyl benzene isomer
D
C,-alkyl indan isomer
T
T
Chromato-
graphic
Peak No.
56
57
58
58A
59
60
60A
60B
60C
61
62
63
64
64A
64B
65
65A
65B
65C
66
66A
67
fi7 A
O/A
67B
68
68A
69
69A
69B
Elution
Temp. Compound
198
199
200
201
202
204
204
205
205
206
207
209
210
212
213
213
214
214
215
218
219
221
222
223
224
226
230
235
dimethylindan isomer
methyldihydronaphthalene
isomer
C,-alkyl indan isomer
3-undecanone + C.,H_2 isomer
C,-alkyl indan isomer +
2-undecanone
C, -H-, isomer
Lj /O
6-methylbenzo (b) thiophene
C.-alkyl indan + C13H26
isomers
n-tridecane
g-methylnaphthalene
C,-alkyl indan isomer
a-methylnaphthalene
C. _H. , isomer
L£. ID
C--alkyl benzene isomer
C.-alkyl indan isomer
Cj-H-ig isomer
C--alkyl benzene isomer
C.-alkyl indan isomer
C1-H1_ + C_-alkyl benzene
isomers
biphenyl
C13H18 lsomer
n-tetradecane
C13Hig isomer
dimethylnaphthalene isomer
C._H „ isomer
dimethylnaphthalene isomer
C14H20 •'•somer
n-pentadecane
ppb
13+5.6
35+9.7
15+6.7
T
NQ
24+12
7+3.4
5+1.7
T
57+10
189+17
50+10
9.6+9
T
T
22+11
T
T
T
67+16 . 7
T
3.3+0.7
T
T
T
T
T
T
305
-------
Table Cll. VOLATILE ORGANICS IN TAR (-7T) FROM KNOCK-OUT CHAMBER DURING
LOW BTU GASIFICATION OF ROSEBUD COAL (MERC, ERDA)
Chroraato-
graphic
Peak No.
1
3
5
6
9
10
11
13
14
15
16
17
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
40
41
42
43
44
45
46
47
48
49
50
51
52
Elution
Temp . Compound
50
57
59
59
66
72
74
77
82
102
108
111
127
128
130
131
132
134
136
140
141
142
143
143
146
147
147
150
151
152
153
153
154
155
156
157
158
158
160
162
162
163
163
164
165
co2
C,H0 isomer
J O
C.Hg isomer
C.H.- isomer
4 10
acetone
perfluoro benzene (e2)
n-hexane
perfluorotoluene (eS)
benzene
toluene
C H 2 isomer
C,H, , isomer
/ lo
ethylbenzene
p_- and /or m-xylene
C,,H , isomer
8 16
styrene and/or cyclooctate-
traene
o-xylene
C H „ isomer
C9H20 lsomer
C,-alkyl benzene isomer
C10H22 isomer
C10H22 isomer
C10H22 •'•somer
C,-alkyl benzene isomer
C,.-alkyl benzene isomer
C._H0- isomer
10 22
C.-alkyl benzene isomer
C,-alkyl benzene isomer
C.-H,, isomer
methylstyrene isomer
C10H20 lsomer
C--alkyl benzene isomer
C10H22 isomer
C H,,, isomer
C,,H00 isomer
11 22
C.-alkyl benzene isomer
C.-alkyl benzene isomer
C11H24 lsomer
indan
C^H- -benzene isomer
indene
C.-alkyl benzene isomer
C H_2 isomer
C.-alkyl benzene isomer
C,,H__ isomer
11 22
ppm
NQ
NQ
NQ
T
22
72.8
1334
T
T
T
156
T
53.4
133
T
40
T
T
T
20
24
T
29
12
T
T
356
45
80
200.
T
T
26
250
T
244
T
711
T
T
124
T
Chromato-
graphic
Peak No.
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
(continued)
306
Elution
Temp . Compound
166
166
166
167
167
168
168
169
169
171
171
173
173
173
174
174
175
175
176
176
177
178
179
179
180
180
182
183
183
183
183
184
185
185
186
187
189
189
189
189
189
189
189
19V0
190
190
C.-alkyl benzene isomer
C11H22 lsomer
CnH2(J isomer
C.H^-benzene isomer
C11H24 isomer
C.-alkyl benzene isomer
C,QH22 isomer
C.-alkyl benzene isomer
C. H_-benzene isomer
4 7
C.H^-benzene isomer
C11H22 isomer
C , H^-benzene isomer
C.-alkyl benzene isomer
C..H.. isomer
11 24
methylbenzofuran isomer
C11^22 ^-somer
dimethylindan isomer
C H isomer
C.-alkyl benzene isomer
C/H^-benzene isomer
methylindan isomer
C12"26 ^somer
C.-alkyl benzene isomer
C.H_-benzene isomer
C.-alkyl benzene isomer
C12H24 isomer
C..H-- isomer
11 22
C.Hg-benzene isomer
C12H24 lsomer
methylindene isomer
C.-alkyl benzene isomer
C^H -benzene isomer
CnoH0/ isomer
12 24
C12H26 isomer
C13H26 isomer
C-...H,.. isomer
11 24
naphthalene
C,H., -benzene isomer
D 11
C12H24 lsomer
C,H^ -benzene isomer
C12H26 •*-somer
C.H. -benzene isomer
C,H., -benzene isomer
6 11
C^H -benzene isomer
C.H., -benzene isomer
o 11
C.-H-, isomer
12 24
ppm
T
4
T
T
T
T
T
88
60
10
80
T
T
20
48
190
1110
T
102
76
29
T
20
T
76
23
T
T
T
889
280
40
23
T
T
T
50
T
T
T
T
T
T
T
T
1040
-------
Table Cll (cont'd)
Chromato-
graphic
Peak No .
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
I'd
142
143
144
Elution
Temp . Compound
190
190
190
191
191
193
194
195
195
196
197
197
197
198
198
199
199
201
201
201
202
203
206
206
206
206
209
209
209
211
211
213
213
214
214
214
214
214
216
216
217
217
217
218
220
220
C..-H-, isomer
LL £b
C,,H-, isomer
13 26
C.,H2_ isomer
C,H -benzene isomer
6 13
C,H -benzene isomer
6 11
C.,H-, isomer
CgH.. --benzene isomer
C12H24 isomer
C-H.. -benzene isomer
C,Hq-benzene isomer
naphthol
C,H. -benzene isomer
b 1 j
C,Hn -benzene isomer
b 11
C,.lL-benzene isomer
C, -H,n isomer
13 28
C. ,H__ isomer
14 30
C-H. ,-benzene isomer
CgH^-benzene isomer
C5H13-benzene isomer
C,H,,-benzene isomer
6 9
C.,H2, isomer
C.H. ,-benzene isomer
b 1 J-
C14H28 ls°mer
C-H, -benzene isomer
B-raethylnaphthalene
C- >jH_p isomer
C,E, -benzene isomer
6 11
^ **26 isomer
C14H28 iS°mer
C^H^ -benzene isomer
C14H30 l30mer
a-methylnaphthalene
C-H. -benzene isomer
C-H. -benzene isomer
C_H, --benzene isomer
0 J-/
C,,H-. isomer
14 24
CH^, -benzene isomer
C15H3Q isomer
C._H2- isomer
C-H. ,-benzene isomer
C14H26 lsomer
C-H.g-benzene isomer
C-H. ,-benzene isomer
C.,H,2 isomer
C14H28 iSOmer
C-H. -benzene isomer
ppm
1860
T
T
50
T
T
T
T
70
T
NQ
70
20
42
65
28
143
87
T
T
T
T
49
T
2149
1680
T
T
T
T
56
3160
T
1180
T
T
T
T
40
38
75
T
T
1250
62
T
Chromato-
graphic
Peak No.
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
Elution
Temp . Compound
222
222
222
222
222
222
223
223
224
225
225
226
227
228
230
230
231
233
234
236
240
240
240
240
240
240
240
C^H^-benzene isomer
C. . H,_ isoraer
14 30
C-H -benzene isomer
C, ,H,- isomer
15 30
C, -H_0 isomer
15 28
C..H-,. isomer
C14H30 isomer
C15H30 ls°mer
C2-alkyl naphthalene isomer
C2~alkyl naphthalene isomer
C-H.. -benzene isomer
C..H, ,-benzene isomer
o 17
CqH, --benzene isomer
C1i:H-, isomer
15 26
C, ,H-0 isomer
16 32
C,,H,. isomer
16 34
C. ,H,j,. isomer
cyanophenol (tent.)
C _H 2 isomer
C. ,H-n isomer
15 30
pentamethyldihydroindene
C,-alkyl naphthalene isomer
C,-alkyl naphthalene isomer
C,-alkyl naphthalene isomer
fluorene
C,-alkyl naphthalene isomer
C,-alkyl naphthalene isomer
ppm
T
1070
T
1860
T
T
T
T
70
56
T
T
T
T
T
T
1720
NQ
102
T
T
T
T
T
80
T
T
307
-------
U)
O
00
0)
4-1
c
g £0000-
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tH
OJ
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".C ' 60 70 90 90 10 20 30 u 0 60 70 80 94 10 10 30 It 0 60 70 60 90 10 20 30 »4 0 60 70 80 90 10 20 30 40 60 70 90
£150 ££00 £250 £300 £350 £400 2450E500ES50 EfrOO
Mass Spectrum No.
Figure C4. Profile of volatile organics in aqueous sample (-1L) from dewatering well #5
(LLL, ERDA).
-------
Table C12. VOLATILE ORGANICS IN AQUEOUS SAMPLE (-1L) FROM
DEWATERING WELL #5 (LLL, ERDA)
Chromato-
graphic
Peak No.
1
2
3
4
5
7
9
10
13
14
15
16
17
19
20
21
23
24
25
26
27
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
45
46
47
48
49
50
51
52
53
54
Elution
Temp . Compound
40
41
44
45
46
51
51
51
54
56
60
63
63
65
67
68
71
71
72
72
74
74
74
75
76
78
89
89
90
90
93
94
86
100
101
103
107
108
111
111
112
113
114
114
116
117
N2 + 02
co2
C.H- isomer
C.H, isomer
4 6
C,H- isomer
C.H.. „ isoraer
C4H10 isomer
ethanethiol
acetone
C.H0 isomer
J O
methylbutanol (tent.)
perfluorobenzene (eS)
C6H14 isomer
methyl ethyl ketone (tent.)
C,H. „ isomer
6 12
perf luorotoluene (eS)
C6H1Q isomer
benzene
thiophene
C,H, . isomer
6 14
vinylcyclohexene (tent.)
dimethylfuran isomer
C?H £ isomer
C,H. , isomer
C,H, , isomer
7 16
dimethyldisulfide
C_,H, , isomer
/ lo
C^H... isomer
toluene
C,H, . isomer
7 14
methylthiophene isomer
methylthiophene isomer
CgH, , isomer
CHH „ isomer
o Lo
CgH. , isomer
unknown
CgHj, isomer
CgH,g isomer
ethylbenzene
CqH.. , isomer
trimethylcyclohexene isomer
£- or m-xylene
C0H, , isomer
o ID
C2-alkyl thiophene isomer
C_-alkyl thiophene isomer
styrene
ppb
-
NQ
NQ
NQ
T
T
15.81+6.0
16.17+5.2
1.50+0.8
2.60+1.2
9 . 87+4 . 6
10.59+7.25
3.75+1.8
6.26+2.4
192.51+3.3
6.59+1.3
T
0.41+0.4
2.75+1.5
T
2.65+1.4
T
NQ
1.76+0.4
T
67.76+32
14.00+7.0
117.45+6.5
120.00+56
0.3+0.1
T
T
NQ
T
T
1.88+0.4
T
T
4.70+1.3
1.34+0.8
1.30+0.6
1.25+0.7
3.80+1.2
Chromato-
graphic
Peak No.
55
56
57
58
59
60
61
62
63
64
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
87
88
89
90
91
92
93
94
95
96
98
100
101
(continued)
309
Elution
Temp . Compound
117
119
123
125
127
127
130
131
133
135
139
141
141
143
143
144
144
145
146
147
148
150
151
151
152
154
155
156
156
160
167
168
170
173
175
180
180
182
183
184
187
191
191
o-xylene
C2-alkyl thiophene isomer
anisole
C9H20 1S°mer
C_H - isomer
CqH2Q isomer
C.-alkyl benzene isomer
C-H.g isomer
C.-alkyl benzene isomer
benzofuran
C,-alkyl thiophene isomer
C,-alkyl benzene isomer
C_-alkyl benzene isomer
methylstyrene isomer
C, -H-.. isomer
10 20
methylphenylacetylene
C.-alkyl benzene isomer
C1-.H_- isomer
C.-alkyl benzene isomer
C. _H-n isomer
10 20
C10H20 ls°mer
C,H -benzene isomer
C,H_-benzene isomer
C,-alkyl benzene isomer
methylbenzofuran isomer
C_-alkyl benzene isomer
C.-alkyl benzene isomer
methylbenzofuran isomer
C..H0_ isomer
11 22
C.-alkyl benzene isomer
a-terpinene (tent.)
naphthalene
CJ.H -benzene isomer
C,-alkyl benzene isomer
6
C,-alkyl benzene isomer
C,-alkyl anisole isomer
(tent.)
C,H,. -benzene isomer
0 11
C7~alkyl benzene isomer
quinoline
C--alkyl benzene isomer
C,H, , -benzene isomer ?
b 11
C.-alkyl phenol isomer
C.-alkyl benzene isomer
o
ppb
6.47+1.5
8.00+2.5
0.59+0.4
T
T
T
104.00+30
47.50+12
5.98+1.3
4.89+2.0
3.50+1.2
6 . 00+2 . 0
8.35+2.5
1.06+0.4
6.38+2.4
—
10.59+3.3
0.50+0.2
T
0.25+0.2
T
1.46+0.6
0.65+0.3
0.68+0.2
6.31+2.4
0.39+0.2
0.10+0
0.12+0
1.07+0.3
T
T
T
0.35+0.2
T
T
T
T
0.15+0
0.17+0
0.96+0.4
T
NQ
NQ
0.05+0
-------
Table C12 (cont'd)
Chromato-
graphic
Peak No.
102
103
104
105
Elution
Temp.
192
196
196
199
Compound
C-H.. --benzene isomer
C15H30
C15H32
C14H30
isomer
isomer
isomer
ppb
T
1.44+0.7
0.50+0.3
2.10+0.6
Chromato- Elution
graphic Temp .
Peak No. (°C)
Compound ppb
310
-------
•H
cn
C
o)
4-1
P! 10000-
0)
o
c
o
M
nj
4J
o
H
1 9 SO
» \6,7
1950
8000
T^^l^^
£050
a i o o
2150
Mass Spectrum No.
1211
123
£ 3 0 0 £ £ 5 ii
a r-
Figure C5. Profile of volatile organics in blended liquid sample (-2L) from dewatering wells #1
and 6 (LLL, ERDA).
-------
Table C13. VOLATILE ORGANICS IN BLENDED LIQUID SAMPLE (-2L) FROM
DEWATERING WELLS #1 AND 6 (LLL, ERDA)
Chromato-
graphic
Peak No.
1
3
4
5
6
7
8
11
12
15
16
17
18
19
20
21
22
24
25
27
28
29
30
31
32
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
55
Elution
Temp . Compound
52
55
55
56
58
59
59
61
62
63
66
67
68
70
70
71
72
76
77
79
81
81
82
83
86
89
90
91
92
93
93
98
98
99
99
99
100
103
104
106
106
107
108
111
112
118
co2
C,Hfl isomer
C4H1Q isomer
C4H- isomer
C.H. 0 isomer
acetaldehyde
C4H1Q isomer
C,-H.,g isotner
ethanethiol
acetone
cyclopentene
d-H.- isomer
C,H, , isomer
6 14
C6H14 isomer
methyl ethyl ketone
perfluorobenzene (eS)
CfiH14 isomer
perf luorotoluene (eS)
methylcyclopentane
C-H , isomer
C,H Q isomer
benzene
C,H-4 isomer
thiophene
C,H , isomer
C,H , isomer
dimethylfuran isomer
C..H.. .. isomer
7 16
CyH 2 isomer
C_H12 isomer
C_H, 4 isomer
C-H, , isomer
7 16
dimethyl dlsulfide (tent.)
C_H12 isomer
C,H, , isomer
/ ID
C-H., isomer
C-H.. « isomer
toluene
methylthiophene isomer
methylthiophene isomer
C,H, , isomer
/ -LD
C^H.. , isomer
7 16
CnH- 4 isomer
trimethylfuran isomer
C8HU isomer
C8Hlg isomer
ppb
0.35
0.10
0.11
T
T
24.00
0.14
4.20
0.25
0.36
T
2.15
0.55
14.00
7.15
0.10
1.45
T
34.09
4.20
12.75
4.20
T
T
T
T
T
T
0.45
T
T
0.17
T
T
150.00
2.98
2.25
T
0.32
T
T
0.05
0.04
Chromato-
graphic
Peak No.
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
89
90
91
92
93
94
95
96
97
98
99
100
101
102
(continued)
Elution
Temp . Compound
119
121
124
125
126
126
127
127
128
129
131
131
132
132
134
136
139
139
139
140
143
144
146
146
147
148
148
149
150
151
152
153
157
157
158
159
159
162
163
164
165
165
166
167
169
169
methylcyclopentanone isomer
thiacyclohexane (tent . )
ethylbenzene
ethylthiophene isomer
C0H., isomer
o ID
C H isomer
dimethylthiophene iscmer
£-xylene +• ni-xylene
dimethylthiophene isomer
CpH.. * isomer
dimethylthiophene isomer
styrene
C0H1Q isomer
o J-O
j3-xylene
C0H, , isomer
o ID
anisole
C_-alkyl benzene isomer
C-H.g isomer
C--alkyl benzene isomer
C9H20 lsomer
CgH20 isomer
C. nH~- isomer
benzaldehyde
CgH.g isomer
C--alkyl benzene isomer
C9H18 lsomer "]
CgH2- isomer J
C_H. „ isomer
9 18
trimethylthiophene isomer
C9H20 isomer
phenylpropene
C..-alkyl benzene isomer
Cj-alkyl thiophene isomer
methyl cresyl ether
C,gH2_ isomer
C4~alkyl benzene isomer
C,-alkyl benzene isomer
indan
C4~alkyl benzene isomer
C4~alkyl benzene isomer
C4-alkyl benzene isomer
indene
C.-H,_ isomer
C4~alkyl benzene isomer
C4-alkyl benzene isomer
methylindan isomer
ppb
0.14
0.22
0.46
0.11
17.00
19^25
0.40
32.14
0.12
0.11
0.26
1.80
0.45
23.57
0.15
0.09
0.08
0.06
T
0.11
T
T
2.65
0.40
0.70
0.78
T
4.05
0.30
T
21.00
0.25
0.13
T
8.00
6.00
16.50
16.70
0.12
T
0.10
0.11
0.11
0.12
0.09
312
-------
Table C13 (cont'd)
Chromato-
graphic
Peak No.
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
Elution
Temp . Compound
170
171
171
172
173
174
175
175
177
177
178
178
179
180
182
182
183
183
183
184
185
186
186
190
190
190
190
191
192
193
194
195
198
199
200
201
201
203
204
205
206
208
208
209
209
211
C10H22 isomer
methylindan isomer
C.-alkyl benzene isomer
methylbenzofuran isomer
C.-alkyl benzene isomer
methylbenzofuran isomer
C -alkyl benzene isomer
C11H22 isonler
Cn.H-n isomer
10 20
C.-alkyl benzene isomer
C.-alkyl benzene isomer
Cn ,H._ isomer
11 22
C,H,-benzene isomer
4 /
C.-alkyl benzene isomer
methylindan isomer
C.-alkyl benzene isomer
C .H-_ isomer
methylindene isomer
C.H -benzene isomer
4
C.-alkyl benzene isomer
methylindene isomer
C.-alkyl benzene isomer
C.-alkyl benzene isomer
naphthalene
C11H24 lsomer
C.-alkyl benzene isomer
dimethylindene isomer
dimethylindene isomer
C.-alkyl benzene isomer
C.-alkyl benzene isomer
C.H -benzene isomer
C.-alkyl benzene isomer
Cfi-alkyl benzene isomer
C.H- , -benzene isomer
O J.1
C.H. -benzene isomer
0 ±1
C.H. -benzene isomer
0 11
C.-alkyl benzene isomer
b
naphthol (tent.)
C.H -benzene isomer
C.H, -benzene isomer
0 i 1
C.-alkyl benzene isomer
B-methylnaphthalene
C13H28 Is0mer
C, -alkyl benzene isomer
C.H. -benzene isomer
oil
a-methylnaphthalene
ppb
T
0.06
0.06
0.05
0.05
0.28
3.10
T
0.04
0.02
0.10
T
T
T
1.&2
T
T
1.35
0.50
2.15
T
T
T
54.00
0.65
1.21
3.20
T
T
0.21
1.21
0.32
0.08
T
0.03
T
0.08
0.11
T
T
0.18
2.20
T
T
T
1.35
Chromato-
graphic
Peak No.
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
Elution
Temp . Compound
211
213
214
215
218
218
219
220
221
222
223
223
224
225
228
231
233
240
C.H... -benzene isomer
C.HT . -benzene isomer
o 11
C_-alkyl benzene isomer
C-H.. ..-benzene isoraer
C_-alkyl benzene isomer
C H , -benzene isomer
C14H26 ±SOmer
biphenyl
C..H. ^-benzene isomer
7 13
C.,H-g isomer
diphenylmethane
C. . H.- isomer
14 20
benzylthiophene (tent.)
C.-alkyl naphthalene isomer
C.-alkyl naphthalene isomer
C.-alkyl naphthalene isomer
C0Hn .-benzene isomer
0 13
CnH1 -benzene isomer
dibenzofuran (tent.)
C.-alkyl naphthalene isomer
C.-alkyl naphthalene isomer
C^-alkyl naphthalene isomer
C_-alkyl naphthalene isomer
C -alkyl naphthalene isomer
f luorene
C-,-alkyl naphthalene isomer
ppb
T
T
T
T
T
T
T
45
T
0.22
T
0.95
T
T
0.05
T
0.03
0.11
0.13
T
T
T
0.04
0.04
0.07
0.06
313
-------
4J
•H
CD
a
0)
4-1
fi
M
4-J
0)
CJ
o
M
iH
Ifl
O
H
•H
4-1
tfl
0-l-Sp
Et 00
'i | i i r I'MT-f-r"
2SOO 2E50
£650
275 0
Mass Spectrum No.
6°'2
Figure C6- Profile of volatile organics in process water (-3L) from in situ coal gasification
(LLL, ERDA).
-------
Table C14. VOLATILE ORGANICS IN PROCESS WATER (-3L) FROM
IN SITU COAL GASIFICATION (LLL, ERDA)
Chroma to-
graphic
Peak No.
1
1A
IB
1C
ID
IE
2
2A
2B
3B
3C
3D
4
4A
5
6
7
9
10
IDA
IOC
10D
11
11A
12
13
13A
13B
14
14A
15
16
16A
17
17A
18
19
20
20A
20B
20C
21A
22
22A
Elution
Temp.
49
52
53
54
54
57
58
58
60
62
65
66
67
68
69
70
71
74
76
77
80
81
81
82
85
87
92
95
97
98
99
100
102
103
104
105
106
107
109
110
113
117
118
119
Compound
CO,
ri-propane
1-butene
ii-butane
2-butene
acetaldehyde
acetone
acetonitrile
C.H,S isomer
L O
cyclopentadiene or C_H, Isoi
+ carbon disulfide (tent
C.H-0 isomer
4 8
2-methylpentane
propionitrile
3-methylpentane
methyl ethyl ketone
hexafluorofaenzene (eS)
n-hexane
isobutyronitrile
perf luorotoluene (eS)
methylcyclopentane
methacrylonitrile (tent.)
methyl isopropyl ketone
benzene
thiophene
2-pentanone
3-pentanone
a-methylbutyronitrile
N-methylpyrrole
4-methyl-2-pentanone
pyrrole
2-methyl- 3-pentanone
3-methyl-2-pentanone
n-pentylnitrile
toluene
2-methyl thiophene
3-methylthiophene
3-hexanone
2-hexanone
eye lopentanone
C-H-Q isomer
C8H14 lsomer
C7H14° isomer + 3-methyl-
pyrrole
2-me thy Icy clop entanone
2-methylpyrrole
ppb
NQ
NQ
T
NQ
59.45+8.6
2226+334
1246+150
T
aer T
) NQ
9+5.3
11.02+3.3
175.3+22.3
35+13
44.4+5.0
211+16.7
34+11
17.3+6.0
T
89+33
4318+1154
241+29
846+3.6
297+3.6
T
12+4
48+8 . 3
111+11
68.5+8.3
79+25
38+12.6
1081+298
56+7
50+11
61+6
7.3+6
T
T
T
12.7+6
55.8+36
26.7+7.3
Chromato-
graphic
Peak No.
23
23A
24
24A
25
26
26A
27
27A
28
28A
28B
29
29A
30
30A
308
30C
30D
31
31A
31B
32
32A
32B
33
34
34A
34B
35
36
36A
37
37A
38
40
41
42
43
43A
43B
44
44A
44B
(continued)
315
Elution
Temp . Compound
120
123
124
124
125
126
127
128
128
129
129
130
130
132
135
135
136
137
138
139
141
142
145
145
146
146
148
148
149
149
150
152
153
153
154
157
159
161
162
164
165
166
167
169
3-methylcyclopentanone +
C7H.. , 0 isomer
dimethylpyrrole isomer
e thy Ibenzene
ri-hexylnitrile + ethyl-
thiophene isomer
£ or m-xylene
dimethylthiophene isomer
2-me thy Ipyr id ine
3-heptanone
dimethylthiophene isomer
2-heptanone
styrene
C^H 0 isomer
£-xylene
dimethylthiophene isomer
anisole
methylpyridine isomer
dimethylpyrrole isomer
C^ H_. isomer
isopropy Ibenzene
dimethylpyridine isomer
C0H, , isomer (tent.)
o lo
methylpyridine isomer
^-propy Ibenzene
benzaldehyde
C^-alkyl thiophene isomer
m or £-ethyltoluene
1,3, 5-trimethy Ibenzene
C10H22 isomer
cyanobenzene
o-e thy 1 toluene
2-octanone
C10H22 ls°mer
benzofuran
1,2, 4-trimethy Ibenzene
phenol
CgH.,,0 isomer
1,2, 3-trimethy Ibenzene
indan
indene
cresol isomer
C,-alkyl benzene isomer
acetophenone
cresol isomer
C,-alkyl benzene isomer
ppb
50+21
17+5 . 7
41+14.0
41+13.7
121+14
14+4
33+3
62+10.7
13.4+3.3
40+7
55+27
14+3.3
82+22
5.3+2.0
5.7+1.7
16.4+2.3
9.3+4.7
14 .4+3.3
T
T
T
T
6.7+1.7
19.7+5
5+2
54.8+6
27.4+7
5+1.7
23.7+5
34.0+6.7
29.7+5
5+4
6.3+1.7
35.4+5
NQ
66+6
41.7+14
71.8+29
140+17
NQ
25+2.3
21+5
NQ
3.7+3
-------
Table C14 (cont'd)
Chromato-
graphic
Peak No.
45
45A
46
47
48
48A
48B
49
50
51
5 IB
5 1C
5 ID
51E
52
52A
53
54
54A
54B
54C
54D
54E
54F
55
55A
56 '
56A
56B
56C
56D
56E
57
57A
57B
58
59
59A
60
61
62
63
63A
Elution
Temp . Compound
170
170
172
173
174
177
179
181
132
183
184
186
187
188
189
190
192
193
200
201
202
204
205
206
207
209
210
214
215
216
217
217
219
220
221
222
224
225
226
227
230
232
235
C.-alkyl benzene isomer
C,.H . isomer
C.H 0 isomer
y o
C.-alkyl phenol isomer
methylbenzofuran isomer
cresol + C.-alkyl benzene
isomers
dimethyl phenol isomer
C1AH . + C.-alkyl phenol
1U 1^ t-
isomers
methylindene isomer
C,-alkyl benzene isomer
C,,-alkyl phenol isomer
C,-alkyl phenol isomer
C.-alkyl phenol isomer
2-decanone
naphthalene
benzothiophene
dimethylbenzofuran isomer
dimethylbenzofuran isomer
C.-alkyl indan isomer
ii-hexylbenzene
methyldihydronaphthalene
isomer
methylbenzimidazole isomer
C,j-alkyl indan isomer
C.-alkyl indan isomer
B-methylnaphthalene
C.-alkyl indan isomer
a-methylnaphthalene
C- ^H_ .. isomer
Li. 10
C13H18 isomer
C. ^HT - isomer
L£ lo
C.-alkyl benzene isomer
C, .H. , isomer
Li 10
biphenyl
C14H28 lsomer
n-tetradecane
ethylnaphthalene isomer
dimethylnaphthalene isomer
C..HJ- isomer
dimethylnaphthalene isomer
dimethylnaphthalene isomer
dimethylnaphthaleue isomer
biphenylene
C15H30 lsomer
ppb
T
T
25.7+3
NQ
29.3+5.3
NQ
NQ
NQ
37.7+8.7
T
NQ
NQ
NQ
7.3+2
1707+79
39.4+8.6
20.7+3.3
31.4+5
12.6+6.7
T
T
T
7+3.3
5+3
66+12.4
12.7+5.7
77.8+15.4
T
T
T
T
T
30.7+10.3
3.3+1.7
11.3+2.3
19.7+7
55+9
T
12.7+1.7
49+63
74+16.7
21+1.7
T
Chromato- Elution
graphic Temp. Compound ppb
Peak No. (°C)
64 237 acenaphthene + ji-pentadecane 31.4+5.3
64A 239 C3-alkyl naphthalene isomer T
64B 240 C,-alkyl naphthalene isomer T
65 240 dibenzofuran T
65A 240 C14H2Q lsomer 1.4+0.7
65B 240 C.-alkyl naphthalene isomer 6+3
66 240 trimethylnaphthalene isomer 10.7+1.4
67 240 C3-alkyl naphthalene isomer 11.7+3.7
67A 240 C14H20 isomer T
67B 240 C^H,. isomer T
lo J/
68 240 fluorene 18+16.7
68A 240 n-hexadecane 11.4+2
68B 240 trimethylnaphthalene isomer 48+5.7
68C 240 propylnaphthalene isomer T
68D 240 C,-alkyl naphthalene isomer NQ
(tent.)
68E 240 C13H10° or C14H14 isomer NQ
68F 240 C,-alkyl naphthalene isomer NQ
68G 240 ci5H22 isomer N(J
316
-------
u>
c aoooo-
,_! 10000-
CO
o
H
I I : ' I '' "I
Mass Spectrum No.
Figure C7. Profile of volatile organics in product tar (-4T) from in situ
coal gasification (LLL, ERDA).
-------
Table C15. VOLATILE ORGANICS IN PRODUCT TAR (-4T) FROM
IN SITU COAL GASIFICATION (LLL, ERDA)
Chromato-
graphic
Peak No.
1
1A
IB
2
3
3A
4B
4C
4D
5
6
7A
8
8A
9
9A
9C
9D
9E
10
10A
10B
IOC
10D
11
11A
11B
11C
12
12A
12B
13
13A
13C
14A
14B
14D
14E
14F
15
ISA
15B
16
16A
16B
16C
Elution
Temp.
50
54
55
59
61
62
68
71
72
73
74
77
78
79
82
83
89
90
91
91
96
99
100
101
103
104
105
108
109
110
111
112
113
114
118
119
120
121
122
123
124
124
125
126
127
128
Compound
co2
1-butene
iv-butane
acetaldehyde
acetone
propenal + propanal
ter-butanol (tent. )
2-methylpentane
3-methylpentane
hexaf luorobenzene (eS)
n-hexane
butanal
per fluoro toluene (eS)
methylcyclopentane
benzene
thiophene
C-H-. , isoraer
/ Ib
ri-pentanal
C..H- . isomer
7 14
n-heptane
C H- , isomer
4-methyl-2-pentanone
C6H12° isomer
C_H- _ isoraer
toluene
C H fl isomer
O J.O
2-methylthiophene
3-hexanone
CgH , isomer
2-hexanone
C0Hn , isomer
o 10
ri-octane
C0H. , isomer
O ID
CgH-, isomer
C H isomer
C H isomer
C-H „ isomer
C-H isomer
C H ~ isomer
ethylbenzene
ethylthiophene isomer
C H , isomer
m or £-xylene
dimethylthiophene isomer
CgH-,, isomer
dimethylthiophene isomer
ppm
NQ
NQ
T
31
NQ
T
5
3
250
T
43
272
5
T
T
T
1.2
T
T
T
T
1018
T
12.4
T
T
12.4
30
22.4
T
T
T
T
T
T
T
100
35
T
628
41.2
30
44
Chroma to-
graphic
Peak No.
17
18
ISA
19
19A
20
20A
20B
21
21A
22
22A
23
23A
23B
24
24A
25
26
26A
26B
27
28
28A
29
30
30A
31
31A
32
32A
33
34
34A
35
35A
35B
36
36A
37
37A
38
38A
39
(continued)
Elution
Temp.
129
130
130
131
132
132
133
134
135
135
136
137
138
139
139
140
140
141
142
143
143
144
144
145
145
146
146
147
148
148
150
150
151
152
152
153
154
155
155
156
156
157
158
158
Compound
styrene
o-xylene
C H ,, isomer
C H isomer
C H , isomer
n-nonane
C H . isomer
CQH- ,. isomer
CgH_ Q isomer
C nH_~ isomer
isopropylbenzene + cinH
isomer
CpH, , isomer
C_H.,,0 isomer
o Ib
C10H20 isomer
C_-alkyl cyclohexane isomer
C. AH__ isomer
10 22
C H isomer
C. ,~H_0 isomer
10 22
n-propylbenzene
benzaldehyde
C.-alkyl thiophene isoraer
m-ethyltoluene
£_-e thy 1 toluene
C_-alkyl thiophene isomer
1,3,5-trimethylbenzene
C11H24 isomer
C10H18 isomer
o-ethyltoluene
C_-alkyl thiophene isomer
2-octanone
benzofuran + C H isomer
1,2,4-trimethylbenzene
C10H20 isolner + silane
compound (BKG)
C10H18 1SOmer
n-decane
C H.- isomer
C H22 isomer
C10H20 isomer
C,-alkyl benzene isomer
1,2, 3-trimethy Ibenzene
C,-alkyl benzene isomer
C11H24 lsomer
C11H24 lsomer
indan
ppm
107
429
20
T
160
200
43
T
T
T
67.8
T
T
T
57.6
T
35
T
44
50
T
367
175
T
50
122
T
571
T
68.4
250
928
280
T
1200
T
T
T
181
833
T
T
T
533
318
-------
Table C15 (cont'd)
Chromato-
graphic
Peak No.
39A
39B
40
40A
41
42
43
43A
44
44A
45
46
47
48
48A
49
49A
49B
50
50A
51
51A
52
53
53A
53B
53C
54
54A
54B
55
56
56A
57
57A
58
58A
58B
58C
Elation
Temp.
159
159
160
160
161
162
163
163
164
165
165
166
168
169
169
170
170
171
171
172
173
173
174
175
175
176
176
177
177
178
178
179
179
180
180
181
181
182
182
Compound
C11H22 lsomer
C -alkyl cyclohexane isomer
indene
o-cymene 4- C ..H,,,, isomer
p_-propyltoluene
n_-buty Ibenzene
CH22 + C -alkyl thiophene
isomers
acetophenone
o-propyl toluene
C11H20
methylindan + C,-alkyl benzene
+ C1;LH22 isomers
dimethylethylbenzene isomer
methylindan isomer +
2-nonanone
C H isomer
dimethylethylbenzene isomer
C,,H-- isomer
11 22
dimethylstyrene or C -H
isomer
cresol isomer
n-undecane
methylbenzofuran isomer
C -alkyl benzene isomer
C11H22 isolner
C 2Ho<; + methylbenzofuran
isomers
1,2,4, 5-tetramethy Ibenzene
C10H12 ls°mer
C -alkyl benzene isomer
C11H14 + C12H24 lsomers
C -alkyl benzene isomer
C, -alkyl benzene isomer
C12H24 lsomer
C10H12 isomer
C -alkyl benzene + C -alkyl
cyclohexane isomers
C12H24 lsomer
methylindene isomer
methylindan isomer
1,2,3,5-tetramethylbenzene +
n-penty Ibenzene
C,_H_, isomer
I/ /o
C,.-alkyl benzene isomer
C,_H-. isomer
12 24
ppm
T
T
833
86.6
167
6.6
T
100
53.4
T
280
100
300
100
50
36.6
35.2
T
NQ
828
400
T
T
125
168
13
T
T
T
T
T
T
T
T
T
28
T
182
125
42
41
T
Chromato-
graphic
Peak No.
59
59A
60
60A
60B
60C
61
61A
61B
61C
62
63
63A
64
65
66
66A
67
67A
68
68A
69
69A
70
70A
71
71A
72
72A
73
73A
73B
74
75
76
77
78
79
80
80A
(continued)
319
Elution
Temp.
183
184
184
185
185
186
186
188
188
189
189
191
191
192
192
193
194
195
195
196
196
197
197
198
198
199
199
200
200
201
202
203
203
204
205
206
207
208
209
209
Compound ppm
C -alkyl benzene isomer 102
methylindene isomer T
C^-alkyl benzene isomer T
dimethylindan isomer T
C..,.H~. isomer T
12 24
2-decanone 100
naphthalene 13920
dimethylindan + C -H-. isomers 107
C1QHU isomer T
C11H14 isomer T
n-dodecane 1120
C, -alkyl benzene isomer T
D
dimethylbenzof uran isomer 240
C H isomer 162
C, -alkyl benzene + C H- , T
6 13 26
isomers
C -alkyl indan isomer T
C, ,H_, isoraer T
U /D
C H. , isomer T
11 14
C.-H,, isomer T
12 16
C13H28 lsomer T
C H , + C.-H., isomer T
13 26 12 16
C, -alkyl cyclohexane + C,- T
O D
alkyl benzene isomers
C13H26 + C12H16 1SOmerS T
C,.-alkyl benzene isomer 17.6
b
n-hexy Ibenzene 56.6
3-methyl-l,2-dihydronaphtha- 116
lene
C, -alkyl benzene + C, ,H,D 82
0 1J Zo
isomers
C -alkyl Indan isomer T
C11H12 lsomer 22
C14H30 lsomer 65
2-nonanone T
C11H14 isomer T
C.-H., isomer 37.8
lO ZD
trimethylindan + C ,H-g isomer 6.6
n-tridecane + 6-methylnaphtha- 675
lene
C-.H^g isomer 933
trimethylindan + C H , isomer 128
a-methylnaphthalene 867
C -alkyl indan isomer T
C^-alkyl indan + C?-alkyl ben- T
zene isomers
-------
Table C15 (cont'd)
Chromaco-
graphic
Peak No.
81
82
82A
82B
83
83A
84
85
85A
86
86A
87
88
88A
88B
89
90
90A
90B
91
91A
92
93
94
95
95A
95B
Elation
Temp.
(°C)
210
211
211
212
212
213
213
214
215
216
217
218
219
220
220
221
222
224
226
227
227
229
230
233
234
236
237
Compound
C -alkyl indan isomer
C7~alkyl benzene isomer
C, -alkyl indan isomer
C -alkyl benzene + C -alkyl
indan isomers
2 , 6-dlmethy 1-1 ,2,3, 4-ce tra-
hydronaphchalene
C !!„., isomer
14 28
C, _H.n isomer
15 30
n-heptylbenzene + C^.H..
isomer
C, -alkyl indan isomer
dimethylf luorene isomer
C^,H_Q + C, -alkyl indan isomer
C, -H- „ isomer
15 32
C, , H00 isomer
14 28
methylphenanthrene isomer
Cn CH~.. isomer
15 30
n-tetradecane
C, .-H-ft isomer
15 30
C.. ,H- . isomer
16 34
C ,H- . isomer
15 24
4 , 5-dimechylphenanthrene
n-nonylbenzene
Cn ,H_- isomer
16 32
C1CH_. isomer
16 34
C H isomer
15 30
n-pentadecane
C.. ,H_. isomer
16 34
Cn ,H__ isomer
16 32
ppm
T
T
T
12
210
T
28.8
100
85
5
T
110
43
54.2
T
625
T
T
T
5
22.8
10
126
T
200
T
T
Chromato- Elution
graphic Temp . Compound
Peak No. (°C)
320
-------
Table C16. VOLATILE ORGANICS IN WATER (-5L) FROM
PERMEATION WELL #5 (LLL, ERDA)
Chromato-
graphic
Peak No.
1
1A
2
2A
2B
4A
5
6
7
8
10
IDA
11
11B
11C
11D
12A
12B
12C
13
14
14A
14C
14D
14E
14F
14G
14H
15
15A
15B
16
16A
16B
17
18
19
19A
20
20A
20B
21
21A
22
22A
24
Elution
Temp.
50
55
62
63
64
68
71
73
74
75
80
81
85
86
89
90
94
98
99
105
112
114
122
124
125
125
127
130
131
131
132
133
134
135
136
140
143
145
147
148
149
150
151
152
155
156
Compound
co2
n-butane
acetaldehyde
n-pentane + furan
propanal + propenal
acetone
2-methylpentane
3-methylpentane
hexaf luorobenzene (e$)
n-hexane
perfluorotoluene (eS)
methylcyclopentane
benzene
cyclohexane
C.H1(.0 isomer
C-H, , isomer
/ ID
C-H,, isomer
/ ±o
C7HU isomer
C-H. , isomer
toluene
C,H, ,0 isomer
6 12
n-octane
C,HQ0 isomer
0 o
C-H..,, isomer
CqH-n isomer
ethylbenzene
£ or m-xylene
C.H-- isomer
C9H2Q isomer
styrene
C10H20 1SOmer
o-xylene
C9Hig isomer
C9H20 isomer
n-nonane
C..H-- isomer
C.nH-- isomer
C1QH20 isomer
benzaldehyde
C..-.H-- isomer
p_- ethyl toluene
C11H24 iS°mer
cyanobenzene
C11H24 isomer
C-H, ,0 isomer
o lo
n-decane
ppb
NQ
T
1.10+0.3
1.00+0.3
2.30+0.8
8 . 68+1 . 8
3.64+1.9
32.42+11.0
5.64+0.3
3.72+0.9
T
T
T
T
T
T
11.32+1.3
T
T
T
T
T
T
T
0.78+0.3
T
0.62+0.1
T
0.64+0.1
T
T
T
0,30+0.1
0.20+0
T
1.46+0.2
T
1.22+0.3
1.92_0.5
0.56+0.2
T
T
0.44+0.2
Chroma to-
graphic
Peak No.
24A
25
25A
25B
26
27
27A
27B
28
29
29A
30
31
31A
31B
31C
32
32A
32B
32C
32D
33A
34
36
36A
36B
36C
36D
36E
37
37A
37B
38
38A
Elution
Temp . Compound
157
159
160
162
165
166
166
167
167
171
172
173
175
176
176
177
178
179
181
183
184
188
189
191
191
192
194
206
207
208
210
211
223
224
phenol
1,2, 3-trimethylbenzene
C11H24 isomer
C 2H,, isomer
C12H26 + C,-alkyl benzene
isomers
C,-alkyl benzene isomer
C,-alkyl benzene isomer
C11H24 isomer
acetophenone
C,-alkyl benzene isomer
C 10^12 isomer
C.,H22 isomer
n-undecane
C,-alkyl benzene isomer
C-2H2, isomer
C12H24 lsomer
tetramethylbenzene isomer
C12H26 isomer
C,-alkyl benzene isomer
C1nH isomer
10 12
tetramethylbenzene isomer
2-decanone
naphthalene
C_-alkyl benzene isomer
n-dodecane
dimethylindan isomer
C12H24 isomer
C13H26 ls°mer
S-methylnaphthalene
n-tridecane
C,,H0, isomer
1J 2b
a-methylnaphthalene
^-tetradecane
C14H28 isomer
ppb
NQ
0.56+0.2
T
T
0.30+0.1
T
T
1.02+0.3
T
T
T
T
T
T
T
T
T
T
T
T
0.40+0.2
4.70+1.0
0.36+0.2
T
T
T
T
0.36+0.1
T
T
T
0.22+0.1
T
321
-------
ho
N>
V)
g
4-1
(3
u
(3
O
4-1
o
H
10
.-I
OJ
Vio
Ml
4 2 S 0
4300 4350 4400 4450
Mass Spectrum No.
K
TTJ^nl TTp-Tpm, _.
4 t [i U 4 £, E U
Figure C8. Profile of volatile organics in liquid process composite (-6L) from in situ
coal gasification (LLL, ERDA).
-------
Table C17. VOLATILE ORGANICS IN LIQUID PROCESS COMPOSITE (-6L) FROM
IN SITU COAL GASIFICATION (LLL, ERDA)
Chromato-
graphic
Peak No.
1A
2
3
4
5A
6
6A
7
8
9A
9B
10
11
11A
13
13A
14
14A
ISA
15B
15C
16
16A
17
17A
17B
17C
17D
17E
18
ISA
18B
19
19A
20
21
22
22A
22B
23
23A
Elution
Temp.
41
42
45
45
51
51
52
52
53
55
57
61
63
63
67
68
72
73
78
80
81
85
86
90
93
93
94
95
95
97
106
107
108
109
109
113
114
115
116
116
117
Compound
co2
carbonyl sulfide
sulfur dioxide
C.H_ isomer
4 8
C-H, - isomer
n-pentane
furau
acetaldehyde
C.H,. isomer
5 10
propanal
acetone + acetonitrile
C,Hj, isomer
perfluorobenzene (eS)
n-hexane
perf luorotoluene (eS) +
methylcyclopentane
2-butanone
benzene
thiophene
C,H,, isomer
7 ID
n-heptane
methyl isopropyl ketone
2-pentanone
3-pentanone (tent.)
toluene
methylthiophene + CgH.^0
isomers
C-Hn , isomer
o 10
n-oc tane
ri-pentylnitrile
3-hexanone
2-hexanone
3-methyl acetylacetone (tent
C^H- ,0 ketone isomer
ethylbenzene
ppb
-
NQ
NQ
NQ
T
8.68+1.7
5.68+2.3
20.37+5.0
T
300+42
187+9.7
70+17
180+32
11.69+3.3
6.01+2.4
707+18
26+3.7
17.7+5.3
3.67+1.4
40+12.7
132+43
9.35+3.3
967+100
29+6.3
T
14+3.3
32+5.7
13 .7+2.7
604+125
.) 6+6
585+60
ethylthiophene + C7H140 ketone 24+3.3
isomers
xylene + dimethylthiophene
isomers
dimethylthiophene isomer
dimethylthiophene + xylene
isomers
C--alkyl benzene isomer
C_H, ,0 ketone isomer
7 14
C HI(, isomer
2-heptanone
981+176
14 . 7+3
848+180
8.35+2
T
191+30
Chromato-
graphic
Peak No.
24
24A
25
26
26A
27
28
28A
29
29A
29B
30
30A
30B
30C
31
31A
3 IB
32
32A
33
34
34A
34B
35
35A
36
37
37A
38
39
39A
40
40A
41
41A
42
42A
42B
43
44
44A
Elution
Temp.
119
123
125
126
126
128
129
130
132
132
133
133
134
134
135
137
137
138
140
142
143
143
144
144
145
146
147
148
148
149
151
152
153
153
153
154
155
156
157
157
160
160
Compound
C -alkyl benzene isomer
C9H20 isomeT
C, -alkyl benzene isomer
3-octanone
C_-alkyl benzene isomer
C, -alkyl thiophene isomer
C--alkyl benzene isomer
C, -alkyl thiophene isomer
C -H isomer
10 20
C --alkyl benzene isomer
benzof uran
n-decane
C10H20 1S°mer
C0H-,0 ketone isomer
o lo
C--alkyl thiophene isomer
C10H20 isomer
C, -alkyl benzene isomer
C, -alkyl benzene isomer
indan
indene
C10H20 + C4~alkyl benzene
isomers
C, -alkyl benzene isomer
C, -alkyl thiophene isomer
C11H24 lsomer
C, -alkyl benzene isomer
C,-alkyl thiophene + C^H^
isomers
C, -alkyl benzene isomer
C, -alkyl benzene isomer
C10H12 isomer
C^Hj,, isomer
C. -alkyl benzene + methyl-
n-undecane
C, -alkyl benzene isomer
C..H_2 isomer
C, -alkyl benzene isomer
C^Hjg isomer
C12H26 ^somer
^12H22 isomer
C11H22 isomer
C12H24 isomer
C.-alkyl benzene isomer
C, -alkyl phenol isomer
0
ppb
72+20
T
131+28
10+1.7
65+13
21+7.3
224+34
25+3.3
137+26
—
255+44
225+24
8+1.7
83+10
37+15
14+3
T
97+3
93+5
483+127
54+24
57+21
47+21
24+3.3
29+17
33+3.3
18 . 7+33
10.7+5.3
18.4+5.2
T
T
25+6.7
151+16
T
T
29+3
T
19+5
T
T
T
23+5 . 7
NQ
(continued)
323
-------
Table C17 (cont'd)
Chromato-
graphic
Peak No.
45
45A
45 B
45C
46A
Elution
Temp . Compound
(°C)
161
164
165
165
209
C.-alkyl benzene isomer
C12H24 isomer
naphthalene
n-dodecane
C. _H-,0 isomer
ppb
4+1.7
T
1653+367
4+1.7
6.3+3.3
Chromato- Elution
graphic Temp . Compound
Peak. No. (°C)
324
-------
Table CIS. VOLATILE ORGANICS IN LIQUID PROCESS COMPOSITE (-7L) FROM
IN SITU COAL GASIFICATION (LLL, ERDA)
Chromato-
graphic
Peak No.
1
1A
IB
1C
ID
IE
2A
3
3A
4
5
6
6A
7A
8
8A
8B
9
9A
10
10A
10B
11
11A
12
13
14
14A
14B
15
15A
15B
15C
15D
15E
15F
15G
16
17
18
19
20
21
21A
Elution
Temp.
40
40
42
42
43
46
47
49
49
50
55
57
57
60
61
62
62
65
67
73
74
76
77
85
85
86
89
91
91
93
94
95
96
98
102
103
105
105
106
108
109
111
112
113
Compound
co2
carbonyl sulfide
C4H10 isomer
C.Hg isomer
n-butane
isopentane
C-H., isomer + furan
acetaldehyde
C.H^ isomer
acetone + acetonitrile (tent.
C,H_ . isomer
6 14
perfluorobenzene (eS)
n-hexane
n-butanal
perfluoro toluene (eS)
methylcyclopentane
methyl ethyl ketone
benzene
thiophene
methyl isopropyl ketone
C,H., isomer
/ 10
n-butyronitrile
2-pentanone
C H isomer
4-methyl- 2-pentanone
toluene
methylthiophene isomer
methylthiophene isomer
3-methyl- 2-pentanone
CgH isomer
n-pentylnitrile
n-octane
C0EL , isomer
o 10
C,HI 0 ketone isomer
CgH. , isomer
CqHig isomer
C-FLg isomer
C-H, ,0 ketone isomer
ethylbenzene + ethylthiophene
isomer
dimethylthiophene + xylene
Isomers
dimethylthiophene isomer
dimethylthiophene isomer
o- xylene
C-H isomer
ppb
NQ
NQ
T
T
T
T
26.7+8.7
T
) 539+151
19.7+3.3
417+112
T
8.3+3
498+224
1205+53
75+22
196+24
T
93+23
542+97
11.7+1.7
74+26
1554+286
68+25
67+20
21+5
T
331+42
170+33
44+21
107+25
T
T
22+5
9.35+3.6
1423+259
2000+452
87+23
60+33
1215+330
38+12
Chromato-
graphic
Peak No.
22A
23
24
25
25A
26
26A
27
28
29
30
30A
31
31A
32
32A
32B
33
34
34A
34B
34C
35
35A
35B
35C
36
37
37A
38
38A
38B
39
40
41
42
42A
42B
42C
42D
(continued)
325
Elution
Temp . Compound
116
117
119
122
122
123
124
125
126
128
130
130
133
134
135
135
136
137
138
138
139
140
141
141
142
142
143
144
145
146
146
147
148
149
150
153
153
154
154
155
C-H. ,0 isomer
C9H18 is°mer
isopropylbenzene
C-Hj- isomer
C10H22 is°mer
C10H22 la°mer
CgH^, isomer
C,-alkyl benzene isomer
C.-alkyl thiophene + C,-alkyl
benzene isomers
C,-alkyl benzene + C,-alkyl
thiophene + C -H22 isomers
C.-alkyl benzene isomer
C_-alkyl thiophene isomer
10 20 3
isomers
C10H20 + C10H18 is°mers +
benzofuran
n-decane
C10H2Q isomer
C_-alkyl thiophene isomer
C11H22 + C10H20 1S°merS
C.-alkyl benzene isomer
C,-alkyl benzene isomer
C.-alkyl benzene isomer
C11H24 isomer
indan
C.-alkyl benzene isomer
C10H20 is°mer
indene
C^-alkyl thiophene + C^-alkyl
benzene isomers
C.-alkyl thiophene isomer
C.-alkyl benzene isomer
C11H24 lsomer
C.-alkyl thiophene isomer
C.-alkyl benzene isomer
C10H12 is0mer
C11H22 isomer
methylbenzofuran isomer
C.-alkyl benzene isomer
n-undecane
methylbenzofuran + C.-alkyl
benzene isomer
C.-alkyl benzene isomer
ppb
NQ
114+39
20+5.7
164+39
T
T
72+29
184+36
1202+296
668+172
835+330
T
892+267
79+33
1572+501
203+110
T
154+18
1068+272
1002+167
T
T
2766+379
952+204
100+33
668+167
192+37
501+58
T
167+3
205+45
238+67
718+167
785+139
2171+83
2371+167
671+185
1277+334
2082+568
701+150
-------
Table CIS (cont'd)
Chromato-
graphic
Peak No.
43
44
45
46
47
47A
48
48A
48B
49
50
51
51A
52
53
54
55
56
57
57A
58
58A
58B
58C
59
59A
59C
61A
Elution
Temp . Compound
155
156
156
157
158
159
160
161
162
163
165
167
167
168
169
172
177
181
182
182
183
185
186
201
205
208
217
221
C H . + C.-alkyl benzene
11 22 5
isomers
C.-alkyl benzene isomer
C..H isomer
12 26
C.-alkyl benzene isomer
C10H12 + C11H14 isomers
C.-alkyl benzene isomer
C.. -H- _ isomer
C.-alkyl benzene + C.-alkyl
benzene isomers
methylindene isomer
C.-alkyl benzene isomer
naphthalene
C12H24 isomer
C..H,. isomer
11 14
n-dodecane
C11H14 isomer
C13H28 isomer
C,,Hno isomer
11 12
Cn ,H.. . isomer
11 14
C12H16 + C13H26 lsomers
8-methylnaphthalene
n-tridecane
a-methylnaphthalene
C, -H.. , isomer
l£ 10
benzothiophene (tent.)
dime thy Ibenzofuran isomer
dimethylbenzof uran isomer
C. ,H, - isomer
13 18
n-C. _H-,. isomer
— 17 36
ppb
100+50
501+200
34+13
—
T
68+17
716+200
187+33
521+132
317+134
367+127
3849+1002
217+67
92+13
1915+271
209+10
T
67+17
79+23
480+200
28^6+67
362+117
2505+668
68+33
T
2532+485
2229+501
T
39+17
Chromaco- Elution
graphic Temp. Compound
Peak No. (°C)
326
-------
CO ]
g 1
a 1
-i i
C B 0 0 0 0 J 7
a) -j
" 3 i[e
G ] 1 E
0 1 II
H-<
P-l 10000-
4-1
o
H
CD
•H !
4J
1 — i
j 1
1
3
1 , 5
I
IVv
i
1
' 3 ID
3
i
i
!
i
i
i i
"• 1
15 1 1
!i '
!
! 1
:; i \
,;[ | V
\fl 1
' 1 • | 1 | ' j 1 | > 1 'I '( 1' • ' . | ' , - 1 '"I '-I'" |-V • , " ,"
'""
2
0
2
i
8
19
V
i
«
||
1
1
2
i
bi i J
f _ l K
\ 23
L22 h
«-^_i v !
11 l""'""| !""!"' | ..invv1.'
6
1
I27fl:" =0
W' WJ\^j
•1 i l""l
J
33
J
\
1!
35
IA-
"(3
I37 !l
i "•'"'I' ''"' i r .-•|'-' -T • '- ,
Mass Spectrum No.
Figure C9. Profile of volatile organics in water sample (-8L) from environmental well #4
(LLL, ERDA).
-------
Table C19. VOLATILE ORGANICS IN WATER SAMPLE (-8L) FROM
ENVIRONMENTAL WELL #4 (LLL, ERDA)
Chromato-
graphic
Peak No.
1
2
2A
3
4
4A
5
5A
5C
5D
6
6A
9
10
IDA
11
11A
11B
12
13
14A
15
16
16A
17
17A
18A
19
19A
19B
19C
19D
19E
19F
19G
19H
191
20
20A
21
21A
21B
T 2
22A
22B
Elution
Temp. Compound
(°C)
54
58
59
59
60
63
63
65
66
67
67
68
74
76
76
78
78
79
79
80
82
84
85
87
90
91
96
98
99
100
101
102
103
105
106
108
108
109
110
111
112
113
115
115
117
co2
isobutane
1-butene
n-butane
2-butene
CCH0 lsomer
J O
C,-H isomer
isopentane
C5H10 isomer + propanal
acetone
n-pentane
CCH._ isomer
5 10
cyclopentane
C,H. „ isomer
D 1Z
C,H. . isomer
6 14
3-methylpentane
n-butanal
C,H, „ isomer
o Iz
hexaf luorobenzene (eS)
n-hexane
C^H isomer + diisopropyl
ether (tent.)
perfluoro toluene (e£)
methylcyclopentane
methyl ethyl ketone
benzene
thlophene
C_H , isomer
C-H-,, Isomer
7 16
C7H14 + C7H12 lsomers
methylhexadiene isomer
C-.H,, isomer
/ ib
ethylcyclopentane
C-.H.. . isomer
7 14
C_H isomer
C5H1£)0 isomer (tent.)
C_H, 2 isomer
CfiH, , isomer
toluene
C-.H. . isomer
/ m
C.H- , isomer
o lo
C.H _ isomer
o its
hexadiene isomer (tent.)
n-hexanal
C.H., isomer
o 16
C.H., , isomer
O 14
ppb
3.27+0.5
NQ
NQ
T
T
0.17+0
T
6.50+3.1
0.77+0.2
1.35+0.6
0.15+0
—
0.44+0.2
0.65+0.3
T
T
0.30+0.2
T
4.75+1.1
0.11+0
0.42+0.2
T
180+54
0.72+0.2
T
0.97+0.2
0 . 63+0 . 1
T
T
T
T
T
T
T
T
80+0
0.11+0
T
T
T
T
1.80+0.3
1.00+0.2
Chromato-
graphic
Peak No.
23
23A
23C
24A
25
25A
26
26A
26B
27
28
28A
29
29A
30
30A
30B
31
32
33
34
35
35A
37
38
39
39A
40
40A
41
42
42A
43A
43B
44
45
46A
46B
47
47A
48
49A
50
51A
51B
51C
(continued)
Elution
Temp . Compound
(°C)
117
118
119
127
128
129
130
131
131
133
134
135
137
139
140
141
143
143
146
147
149
151
153
155
159
160
162
163
164
170
172
180
184
186
187
188
197
199
201
202
203
216
217
::o
::i
226
n-octane
C.H.. - isomer
8 16
C8H14 1S°mer
C9H18 lsomer
ethylbenzene
C-H , isomer
£-xylene
m-xylene
CgH18 isomer
C.H. isomer + styrene
£-xylene
C.Hin isomer
9 18
n-nonane
C10H20 lsomer
C10H22 lsonler
C10H22 Is0mer
C10H20 iS°mer
C1QH22 isomer
ppb
0.11+0
1.31+0.4
T
T
0.40+0.1
T
1.25+0.5
0.12+0
T
T
0.07+0
T
4.11+0.7
T
0.75+0.1
T
T
0.15+0
n-propylbenzene + benzaldehyde 0.11+0
m-e thy 1 toluene
"C. -H0. isomer
11 £H
C11H24 isomer
C.-alkyl benzene isomer
n-decane
C11H24 lsomer
C11H24 lsomer
C11H22 isonier
C-.H,, isomer
12 26
acetophenone
C12H26 isomer
n-undecane
C10H20° isonier (tent.)
2-decanone
naphthalene
C12H24 isomer
n-dodecane
C.-alkyl benzene isomer
undecanone isomer
undecanal (tent . )
C. oH-j,' isomer
n-tridecane
C14H2S isomer
n-tetradecane
C16H34 lsomer
C15H30 isomer
C.. rH-,.- isomer
0.11+0
0.12+0.1
0.19+0.1
T
0.15+0.1
T
T
T
T
T
T
0.11+0
T
T
T
T
0 . 04+0
T
T
T
T
0.06+0
T
T
T
T
T
328
-------
Table C19 (cont'd)
Chromato-
graphic
Peak No.
51D
52
53
Elution
Temp.
(°C)
229
230
231
Compound
C.,H,_ isomer
Cn cH™ isomer
15 30
ii-pentadecane
0
0
0
ppb
05+0
07+0
04+
Chromato- Elution
graphic Temp .
Peak No. (°C)
Compound
329
-------
•rl
cn
d
o>
d
OJ
d
o
H
O
H
0)
•H
0)
Pi
10
8750
8850 8900 3950
Mass Spectrum No.
Figure CIO. Profile of volatile organics in water sample (-9L) from environmental
well #5 (ILL, ERDA).
-------
Table C20. VOLATILE ORGANICS IN WATER SAMPLE (-9L) FROM
ENVIRONMENTAL WELL #5 (LLL, ERDA)
Chromato-
graphic
Peak. No.
1
2
3
4
5
6
6A
7
9
10
11
11C
12
12A
13
13A
13B
14
15
16,
17
18
19
20
21
22
22A
22B
22C
22D
23
24
24A
24B
24C
25
25A
25B
26
26A
26C
27
27A
27B
28
Elution
Temp.
CO
52
55
55
56
56
58
59
59
60
61
62
65
66
67
67
68
68
69
70
70
71
72
73
74
75
76
76
77
78
79
80
80
81
82
82
83
83
84
85
85
87
87
88
89
89
Compound
co2
n-propane
1-butene
n-butane
2-butene
trans-2-pentene
acetaldehyde
Isopentane
1-pentene
n-pentane
cis-2-pentene
carbon disulfide + cyclopen-
tadlene
cyclopentene
C-H. _ isomer
cyclopentane
2-methylpentane
C.H isomer
o 12
3-methylpentane
2-methylpent-l-ene
hexaf luorobenzene (eS)
n-hexane
2-methyl-2-pentene
hexadiene isomer
2-e thy 1- 1-butene
perfluorotoluene (eS)
methylcyclopentane
C.H isomer
raethylcyclopentadiene isomer
C H isomer
C H^- isomer
methylcyclopentene isomer
benzene
thiophene + C H. , isomer
cyclohexane
C7H14 + C7H12 isomer
2-methylhexane
2 , 3-dimethylpentane
3-taethylhexane
cyclohexene
C_,H, , isomer
7 14
1 , 1-dimethylcyclopentane
1 , 2-dimethylcyclopentane
5— ethyl-2-pentene
heptene isomer
n-heptane
ppb
NQ
NQ
NQ
NQ
NQ
2.0+0.5
1.2+0.3
2.9+0.2
T
4.8+0.6
0.6+0.1
-
0.2+0.1
0.3+0
T
1.2+0.2
5.4+0.5
0.2+0
3.1+1.1
2.3+1.2
6.0+3
0.5+0.1
3.9+2.1
2.0+1
4.8+2.1
0.05+0
4.4+2.1
T
T
5.9+2.5
10.6+3.2
0.8+0.2
0.8+0.3
0.2+0
0.4+0.1
0.3+0.2
0.4+0.1
1.9+0.3
0.05+0
0.6+0.3
1.5+0.2
0.5+0.2
T
2.1+0.7
Chroma to-
graphic
Peak No.
28A
28B
28C
29
29A
29B
30
30A
31
32
32A
32B
32C
32D
33
33A
34
34A
34B
34C
35
35A
35B
35C
35D
35E
36
36A
37
37A
38
39
39A
40
40A
41
41A
42
42A
42B
42C
43
43A
43B
44
(continued)
331
Elution
Temp.
(°C)
90
90
91
92
92
93
94
95
96
97
98
99
99
100
101
101
102
102
103
103
104
104
105
106
106
107
108
108
109
110
110
111
112
112
113
114
114
115
116
117
118
118
119
120
120
Compound
methylhexadiene isomer
trans-2-heptene
methylhexene isomer
methylhexadiene isomer
C H isomer
C H - isomer
methylcyclohexane
dimethylhexadiene isomer
ethylcyclopentane
1-me thy Icy clo hexene
hexanal + C.H,, isomer
8 16
C-H..,, isomer
0 L£.
2 , 3-dime thy lhexa-1 , 4-diene
2-methyl-2, 4-hexadiene
CgH . isomer
C~H, , isomer
8 16
toluene
C <>H, , isomer
C-H.,, isomer
O -LD
CaH1a isomer
O 10
methylcyclohexene isomer
C-H, , isomer
8 16
3-methylheptane
C_H, , isomer
o lo
C-H , isomer
dimethylcyclohexane isomer
1,1, 3-trimethy Icyclopentane
octene isomer
dimethylhexadiene isomer
C.H, , isomer
0 ID
n-octane
C-H,, isomer
0 ID
ethylidenecyclohexane
C_H , isomer
C_H, , isomer
0 J.O
CgBlg isomer
2-methyl-l, 4-heptadiene
C H , isomer
C8H14 isomer
C9H2Q isomer
C -alkyl cyclopentane isomer
CgH isomer
1,1, 3-trimethy Icyclohexane
CqH , isomer
C8H14 isomer
ppb
3.9+0.9
0.2+0.1
T
2.2+0.3
T
T
0.7+0.3
0.02+0
0.2+0.1
0.4+0
T
T
0.2+0
4.4+1.3
T
T
10+1
T
0.1+0
T
0.8+0.3
T
T
T
T
0.08+0
0.2+0.1
T
0.07+0
T
0.2+0
T
0.4+0.1
T
T
T
T
T
T
T
T
T
0.3+0.1
T
T
-------
Table C20 (cont'd)
Chromato-
graphic
Peak No.
44A
44B
44C
45
45A
46
46A
46B
46C
46D
46E
46F
47
47A
47B
47C
48
48A
48B
49
49A
50
50A
SOB
50C
51
51A
51B
51C
51C
5 ID
52
53
54
54A
54B
55
55A
55C
56
56B
56C
56D
56E
56F
Elution
Temp.
(°C)
121
121
122
122
123
124
125
126
126
127
128
128
129
130
130
131
132
133
134
135
135
136
137
138
139
140
140
141
142
142
143
144
146
149
149
150
151
152
153
154
155
156
157
158
158
Compound
C9H18 isomer
CnIL , isomer
y io
C H „ isomer
y 10
ethylbenzene
CgH2Q isomer + 3,3,5-tri-
methylcyclohexene
m or £-xylene
C9H18 1S°mer
C-H, , isomer
y ID
C-H-,. isomer
9 20
CJ3., , isomer
9 16
CgH18 isomer
styrene + cqH20 isomer
o-xylene
CgH^g isomer
C H , isomer
C9H18 isomer
ji-nonane
C.H, 0 isomer
9 18
C H isomer
CgHlg isomer
Cn-H-rt isomer
10 20
C,rtH-- isomer
10 22
C10H18 + C9H16 isomera
C10H20 isomer
C -alkyl cyclohexane isomer
C,rtH-- isomer
10 22
C10H18 1SOmer
C,-H__ isomer
10 22
C, ,.H, „ isomer
10 18
ri-propylbenzene
benzaldehyde
m or £-ethyltoluene
C,,H0, isomer
11 24
C, , H- isomer
11 24
2-octanone
C,_H__ isomer
10 22
C.-alkyl benzene isomer
CirtH-_ isomer
10 20
C,rtH, „ isomer
10 18
ii-decane
C, , H0- isomer
11 22
C10H20 ls°mer
C--alkyl benzene isomer
C, ,H_ , isomer
11 24
ppb
T
T
T
0.5+0.1
0.6+0.2
1.7+0.3
T
T
T
T
T
0.2+0
0.5+0.1
0.05+0
T
T
0.8+0.2
0.1+0
~"
0.05+0
T
T
0.05+0
—
T
T
T
T
T
T
T
T
0.4+0.1
0.06+0
0.2+0.1
0.05+0
T
T
T
T
T
0.2+0
T
T
T
T
T
Chromato-
graphic
Peak No.
56G
57
58
59
59A
59B
59C
59D
59E
60
60A
61
61A
62A
63
63A
64
65
65A
66
66A
Elution
Temp.
(°C)
159
160
163
165
166
167
168
168
169
171
172
172
181
185
187
188
190
191
207
208
212
Compound
C11H22 isomer
C11H24 lsomer
C12H26 is01ner
acetophenone
C-qH., Isomer
12 26
C11H20 ls°mer
C11H24 isomer
C11H22 lsomer
2-nonanone
C..H-- isomer
11 22
C..H-_ isomer
11 20
n-uhdecane
dimethylphenol isomer
dimethylphenol isomer
naphthalene
2-decanone
^12^24 ^SOIner
n-dodecane
C. -H... isomer
13 26
ii-tridecane
dlmethylnaphthalene isomer
ppb
T
0.05+0.01
0.07+0.01
0.3+0.1
T
T
T
T
T
T
T
0.1+0
NQ
NQ
0.04+0.02
0.03+0.01
T
0.09+0.02
1
0.13+0.06
T
332
-------
Table C21. VOLATILE ORGANICS IN WATER (-10L) FROM
DEWATERING WELL #5 (LLL, ERDA)
Chromato-
graphic
Peak No.
2
3
3A
3B
4
5A
5B
5C
5D
5E
7
7A
8
9
10
10A
10B
IOC
11
12
13
14
14A
15
ISA
15B
15C
15D
16
17
18
ISA
19
19A
20
22
23
23A
24
25
25A
26
26A
26B
26C
Elution
Temp . Compound
51
55
56
56
57
61
62
63
63
64
66
67
67
69
70
70
71
73
75
76
77
80
81
82
83
84
85
87
88
90
92
93
93
94
95
98
99
99
102
103
104
105
106
107
108
co2
1-butene
ii-butane
2-butene
methanethiol
acetone + C,H1(. isomer
acetonitrile
dimethyl sulfide
C.H... isomer
ter-butanol (tent.)
cyclopentene
CeH..,. isomer
C,H.- isomer
O LL
2-methylpentene
propionitrile
methyl ethyl ketone
ri-hexane + hexafluoro-
benzene (eX)
2-thiabutane
isobutyronitrile
methylcyclopentane
pentanol isomer
perfluorotoluene (e8)
3-methylcyclopentene
benzene
3-methyl-2-butanone
thiophene
C.H..-S isomer (tent.)
4 10
C,H. ,0 isomer
6 14
2-pentanone
3-pentanone
C?H12 isomer
C,H7 -0 isomer
o Iz
2-thiapentane
2,5-dimethylfuran (tent.)
C-H^, isomer (tent.)
N-methylpyrrole
2,3-dithiabutane
4-me thy 1- 2-pentanone
2-methyl-3-pentanone
3-methyl-2-pentanone
pyrrole
toluene
n-pentylnitrile
2-methylthlophene
3-methylthiophene
ppba
NQ
NQ
NQ
NQ
21.67
750
19
22
0.5
2.8
5.8
T
T
T
18.7
107
140
6.8
4.0
7.8
0.5
6.7
363
20.8
28
NQ
2.1
90
2.5
1.0
T
0.9
0.7
T
1.8
0.2
30.2
1.9
0.9
2.0
240
13.6
150
170
Chromato-
graphic
Peak No.
27
28
28A
28C
29
30
31
32
33A
33B
34
34A
35
36
37
38
38A
38B
39
40
41
42
42A
43
43A
43B
44
45
46
47
47A
47B
48
48A
49
49A
50
51
52
52A
53
53A
(continued)
333
Elution
Temp.
109
110
111
114
115
116
117
118
119
119
120
121
121
122
124
125
126
126
127
128
129
130
131
132
132
133
133
135
136
138
138
139
139
140
141
141
143
144
145
146
147
148
Compound
3-hexanone
cyclopentanone
2-hexanone
C-H^, isomer
thiacyclopentane
C.H., isomer
o lo
C,.HI , isomer
l-acetoxy-2-butene (tent.)
2-amino-4-picoline (tent.)
methylpyridine isomer
2-methylcyclopentanone
C,H, ,0 isomer
7 14
3-methylcyclopentanone
2-methylthiacyclopentane +
2-acetoxy-2-butene (tent.)
5-methyl-2-hexanone
ethylbenzene
m-xylene
ethylthiophene isomer
n-hexylnitrile
£-xylene
dimethylthiophene
3-heptanone
dimethylthiophene isomer
2-heptanone
styrene
trimethylcyclopentane isomer
o-xylene
trimethylcyclohexane isomer
anisole
£-toluidine
C0H.,,0 isomer
a ID
C,-alkyl thiophene isomer
isopropylbenzene + methyl cyclo-
pentenyl ketone
ethylpyridine isomer
C9H18 + C9H20 isomers
CQH1 , isomer
2-methylcyclohexanone
l-methyl-3-ethylcyclopentane
n-propylbenzene
2-isopropylthiophene
m-e thy 1 toluene
£-ethyltoluene + C,-alkyl
thiophene isomer
ppb
1.5
10.7
1.5
T
19.8
T
T
0.4
59.5
T
11.3
T
7.8
15
0.9
5.9
12.5
17.3
14.5
7.5
120
20.9
14.5
6.9
29.7
6.7
2.7
115
2.08
15.0
4.8
T
0.15
6.1
4.1
1.0
T
0.3
2.6
1.3
4.3
10.7
6.2
-------
Table C21 (cont'd)
Chromato-
graphic
Peak No.
54
54A
55
56
57
57A
57C
57D
58
58A
59
60
61
62
62A
62B
63
63A
64
65
66
67
67A
68
69
70
71
72
72A
73
74
74A
75
76
77
78
78A
78B
79
79A
80
Elution
Temp . Compound
(•"CI
149
150
152
153
154
154
156
157
158
159
160
161
162
163
165
165
166
166
167
168
168
170
170
171
171
172
173
174
175
176
176
177
178
179
180
181
181
182
183
183
184
1,3,5-trimethylbenzene +
C11H24 isomer
cyanobenzene
2-octanone
C_-alkyl thiophene isomer
benzofuran
o-ethyltoluene
phenol
C10H20 isomer
jD-methylanisole
1,2,4-trimethylbenzene + C,-
alkyl benzene isomer
C, -alkyl benzene isomer
trimethylcyclohexanone isomer
(tent.)
indan
Indene
C, -alkyl benzene isomer
trimethylcyclohexanone isomer
acetophenone
ter-butylthiophene isomer
p-cresol
C, -alkyl benzene isomer
m-cresol
C, -alkyl benzene isomer
2-nonanone
C, -alkyl benzene isomer
methylindan isomer
C, -alkyl benzene isomer
2-methylbenzimidazole
dimethylphenol isomer
methylbenzimidazole isomer
C -alkyl benzene + ci-iH20
isomers
C, , H-,, isomer
C,-alkyl benzene isomer
tetramethylbenzene isomer
C, -alkyl benzene isomer
C. -alkyl benzene isomer
methylindan isomer
C_-alkyl benzene isomer
C11H20 lsomer
methylindene isomer
C. ..H , isomer
C, -alkyl benzene isomer
ppb
3.3
5.5
2.0
T
91.7
19.4
NQ
T
5.5
19.4
110
1.87
55.2
22.2
1.5
NQ
2.5
NQ
90
NQ
T
16.7
T
2.89
0.1
6.81
NQ
72.9
T
T
T
T
T
T
6.0
T
T
4.0
T
0.15
Chromato-
graphic
Peak No.
80A
SOB
81
82
82A
82B
83
83A
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
99A
100
102
103
Elution
Temp . Compound
184
185
185
187
188
189
190
193
194
195
196
199
200
201
202
203
204
205
206
207
208
209
210
212
212
213
224
239
methylindene isomer
dimethylphenol isomer
C. -alkyl benzene isomer
C -alkyl benzene isomer
C11H20 lsomer
C, -alkyl phenol isomer
naphthalene
thianaphthalene + dimethyl-
indan isomer
5 , 6-dimethylbenzof uran
3, 6-dimethylbenzof uran
C --alkyl benzene isomer
C_-alkyl benzene isomer
C12H22 isomer
C11H14 lsomer
methyldihydronaphthalene
isomer
C-.H,, isomer
l£ 10
6-methyl-l, 2-dihydro-
naphthalene
C -alkyl benzene isomer
C.-alkyl indan isomer
dimethylindan isomer
C, -alkyl indan isomer
8-methylnaphthalene
C--alkyl indan isomer
a-methylnaphthalene
C, -alkyl indan isomer
C, -alkyl indan isomer
C16H34 ls°mer
C H isomer
I/ JO
ppb
3.2
NQ
T
T
T
NQ
74.7
22.5
7.2
15.5
7.6
T
T
T
T
4.3
T
5.1
T
T
1.7
1.5
11.7
3.0
2.0
T
T
T
T
334
-------
U)
Ln
•H
CO
(3
QJ
OJ
t-l
i o a o (i -,
O
H
cu
•H
4-J
cfl
Mass Spectrum No.
Figure Cll. Profile of volatile organics in water sample (-11L) from dewatering well #5
(LLL, ERDA).
-------
Table C22. VOLATILE ORGANICS IN WATER (-11L) FROM
DEWATERING WELL #5 (LLL, ERDA)
Chromato-
graphic
Peak No.
1
1A
2
3
4
4A
5
5A
6
7
7A
8B
8C
9
9A
10
11
11A
12
12A
13
13B
14
15
15A
16
16A
16B
17
17A
18
19
19A
20
20A
2 OB
21
2IA
22
23
24
24A
25
26
26A
Elution
Temp . Compound
50
54
54
55
57
58
58
59
60
61
62
64
65
66
67
68
70
71
71
72
73
76
77
79
81
82
83
87
87
88
89
91
92
93
94
95
95
97
98
100
101
101
102
105
106
co2
1-butene
ti-butane
2-butene
methanethiol + unknown
C5H10 Is0mer
acetaldehyde
isopentane
C,-£L. isomer + furan
acetone
dimethyl sulfide
C,H_S isomer (tent.)
J o
ter-butanol
cyclopentene
cyclopentane
C,H, - isomer + 2-methylpentane
O LL
propionitrile + 2-thiapentane
(tent.) + 3-methylpentane
C..H.. „ isomer
0 L2.
hexafluorobenzene (eS)
methyl ethyl ketone
n-h exane
C H.. - isomer
o 12
methylcyclopentane
perf luorotoluene (eS)
C..H- -. isomer
benzene
thiophene
cyclohexene
methyl isopropyl ketone
C-,H, . isomer
7 14
3-pentanone
C-,H.. „ + C-.H., , isomers
/ 1Z / 10
C-H, . isomer
7 14
C-H isomer
CyH14 isomer
C7H 2 isomer
C,H , isomer
2, 3-dithiabutane
4-methyl-2-pentanone
2-methyl- 3-pentanone
3-methyl-2-pentanone
methylhexadiene isomer
toluene
2-methylthiophene
3-hexanone
, a
ppb
NQ
NQ
NQ
NQ
T
T
3.57
0.90
5.0
47.6
NQ
NQ
4.28
5.38
0.72
0.71
2.55
T
21.4
18.8
T
2.54
T
158.9
41.4
1.43
7.62
T
7.43
T
T
T
T
T
T
2.86
2.32
9.76
4.57
1.60
219.0
40.0
5.89
Chromato-
graphic
Peak No.
27
27A
28
28A
29
30A
30B
30C
30D
30E
30F
31
31A
31B
32
32A
32B
33
34
35
35A
36
37
37A
37B
37C
37D
37E
38
38A
38B
39
40
40A
41
41A
41B
41C
42
43
43A
43B
(continued)
336
Elution
Temp.
107
109
110
111
113
116
117
117
118
118
119
121
122
123
124
125
127
128
129
131
132
133
134
135
136
137
138
139
140
141
141
142
143
144
145
146
147
148
149
151
151
152
Compound
2-hexanone
CflH.. . isomer
thlacyclopentane + CgH^
isomer
CnH , isomer
o 10
CgH , isomer
5-methyl-3-hexanone
2-methyl-3-hexanone
C9H20 isomer
pyridine
C,H. ,0 isomer
2-methylthiacyclopentane
ethylbenzene
ethylthiophene isomer
dimethylthiophene isomer
p_ or ra-xylene
dimethylthiophene isomer
dimethylthiophene isomer
styrene
o-xylene
dimethylthiophene isomer
anisole
dimethylthiophene isomer
isopropylbenzene + isopropyl-
thiophene isomer
2-methyl-3-heptanone
C,-alkyl thiophene isomer
5-methyl-3-heptanone
6-methyl-3-heptanone
5-methyl-2-heptanone
n-propylbenzene
benzaldehyde
C.-alkyl thiophene isomer
m or p_-ethyltoluene
1,3,5-trimethylbenzene + C -
alkyl thiophene isomer
C10H22 lsomer
o-ethyltoluene
trimethylthiophene isomer
2-octanone
a-methylstyrene
benzofuran + 1,2,4-trimethyl-
benzene
trimethylthiophene isomer
ter-butylthiophene isomer
isobutylbenzene
ppb
55.4
T
0.59
T
T
2.04
T
T
1.71
T
0.94
34.3
9.32
16.6
621.7
41.4
12.4
13.3
32.4
7.59
T
T
1.91
1.43
0.82
T
2.50
1.19
5.35
2.86
8.98
T
32.4
33.1
T
27.6
8.3
T
T
119.0
26.7
14.0
3.67
T
-------
Table C22 (cont'd)
Chromato-
graphic
Peak No.
44
45
45A
46
47
48
49
49A
50
50A
50B
51
51A
52
52A
53
54
54A
55
55A
56
57
57A
58
58A
58B
59
60
60A
6 OB
61
62
62A
63
63A
64
64A
64B
65
65A
66
Elution
Temp . Compound
(°C)
152
153
154
156
157
158
159
160
161
161
162
163
164
166
166
167
168
169
169
170
171
172
172
173
173
174
174
175
175
176
177
178
178
180
181
181
182
182
183
183
184
1 , 2, 3-trimethylbenzene
C.-alkyl benzene isomer
C.-alkyl thiophene isomer
indan
C.-alkyl benzene isoraer
indene
C.-alkyl benzene isomer
C.-alkyl thiophene isomer
C.-alkyl benzene isomer
C,H00 isomer (tent.)
a o
£-propyltoluene + C, -alkyl
thiophene isomer
o-diethylbenzene + n-butyl-
benzene
C,-alkyl thiophene isomer
C.-alkyl benzene isomer
C.H.O isomer (tent.)
0 o
C -alkyl thiophene isomer
C.-alkyl benzene isomer
methylindan isomer
C, -alkyl benzene isomer
C. QH isomer +• methylindene
dimethylethylbenzene isomer
methylindan isomer
C.-alkyl thiophene isomer
C.-alkyl benzene isomer
C10H12 isomer
o-cresol
methylbenzofuran isomer
2-methylbenzofuran
C, -alkyl benzene isomer
C.-alkyl benzene isomer
C.-alkyl benzene + C.-alkyl
thiophene isomers
tetramethylbenzene isomer
C.-alkyl thiophene isomer
C p-alkyl benzene isomer
C11H14 isomer
C,-H,- isomer
10 12
C.-alkyl benzene isomer
dimethylphenol + C.-alkyl
thiophene isomers
methylindene isomer
methylindan Isomer
tetramethylbenzene + methyl-
indene isomers
ppb
33.1
T
T
54.1
T
T
16.2
T
T
NQ
2.50
1.21
3.05
3.05
5.15
T
NQ
1.72
T
T
T
3.35
6.97
6.19
T
T
T
NQ
10.0
27.4
T
T
4.25
7.62
T
T
T
10.5
T
NQ
T
13.1
14.3
18.1
Chromato-
graphic
Peak No.
67
67 A
67B
67C
68
68A
68 B
68C
69
70
71
72
72A
73
74
75
75A
76
77
77A
77B
78
78A
78B
79
80
80A
81
82
82A
83
84
85
86
86A
87
87A
88
88A
89
90
91
92
93
Elution
Temp . Compound
(°C)
185
186
187
188
189
191
192
193
195
196
197
198
199
200
201
202
202
203
204
205
206
206
207
207
208
209
210
211
212
214
215
217
219
220
221
223
224
225
226
227
228
230
232
235
C -alkyl benzene isomer
dimethylphenol isomer
tetramethylbenzene isomer
dimethylphenol isomer
naphthalene
dimethylindan isomer
2 , 3-benzothiophene
dimethylindan isomer
dimethylbenzofuran isomer
C, -alkyl phenol isomer
C11H14 isomer
C.-alkyl. benzene + C,-alkyl
phenol isomers
C11H14 lsomer
methyldihydronaphthalene isomer
C11H14 lsomer
methyldihydronaphthalene isomer
C ,,H isomer
Li. 1O
methyldihydronaphthalene + C.-
alkyl phenol isomers
C^-alkyl benzene isomer
C--alkyl indan isomer
C,-alkyl phenol isomer
C11H14 lsomer
6-methylbenzo(b) thiophene
C, -alkyl indan isomer
B-methylnaphthalene
C.-H , isomer
Li. 10
methylbenzothiophene isomer
a-methylnaphthalene
C.-H, , isomer
Li. io
C.-alkyl phenol isomer
C12H16 ls°mer
C.-alkyl indan isomer
biphenyl
C12H14 lsomer
C^-alkyl indan isomer
ethylnaphthalene isomer
Cn.H10 + C..H,. : isomers
13 18 12 14
dimethylnaphthalene isomer
C13H18 isomer
dimethylnaphthalene isomer
dimethylnaphthalene isomer
dimethylnaphthalene isomer
Cj-alkyl naphthalene isomer
ethylnaphthalene isomer
PPb
15.3
NQ
T
NQ
133.3
T
4.30
9.52
7.14
NQ
T
15.2
NQ
T
1.14
T
3.20
T
3.54
T
25.3
7.9
NQ
T
1.27
T
140.1
T
0.41
38.3
T
NQ
T
T
6.07
T
T
3.42
T
4.86
T
5.71
4.49
T
1.78
T
Values represent single determinations.
337
-------
Table C23. VOLATILE ORGANICS IN WATER (-12L) FROM ENVIRONMENTAL MONITORING WELL
//I, POST-GASIFICATION (LLL, ERDA)
Chromato-
graphic
Peak No.
1
4
4A
5
5A
6B
7A
8
8A
10
IDA
11
12
12A
13A
13B
14
16
17
17A
20
21
22
23
23A
24
24A
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
Elution
Temp.
41
44
44
45
46
48
50
51
51
57
58
59
61-7
62
67
72
72
79
91-5
96
106
110
115
116
117
118
120
121
122
123
124
126
129
130
133
134
136
137
139
141
143
144
147
153
163
Compound
co2
propane
acetaldehyde
1-butene + n-butane
2-butene
isopentane
ji-pentane
acetone
dimethyl ether + diethyl
C.H . isomer
2-methylpentane
3-methylpentane
n-hexane
hexafluorobenzene (eS)
perfluoro toluene (eS) +
methylcyclopentane
benzene
cyclohexane
C-H,, isomer
/ 10
toluene
C-H isomer
O J-O
C9H20 lsomer
ethylbenzene
C.,-,H-,. isomer
10 22
CnnH_0 isomer
10 22
styrene
C10H22 isomer
C10H20 lsomer
C10H22 isomer
C10H22 isomer
C10H20 isomer
C10H22 isonier
C10H20 isomer
C11H24 lsomer
C11H24 isomer
Cn,H-. isomer
11 24
C,,!!-. isomer
11 24
C. ,H-, isomer
11 24
C.jH-- isomer
CHH24 lsomer
C,«Hn, isomer
12 26
C.-Hjg isomer (tent.)
C. ,H-0 isomer (tent.)
1 J io
C.,H,,0 isomer
13 28
C. -H-, isomer
13 26
naphthalene (tent.)
ppb
-
NQ
T
NQ
NQ
0.37±0.1
130.00±60
181.12±60
ether 10±5
3.50±1.5
2.60±1.8
5.75+1.3
25.00±12
42.22±24
NQ
90.00±40
40.00±30
3.26±1.3
1.86+0.4
4.44±2.2
T
T
7.78±1.3
9.00+4.5
T
3.20±1.4
150.00+70
3.50±2.0
100.00±40
T
4.10±2.0
130.05±60
260.00*180
170.00±100
130.00±80
90.00±50
15.00±12
7.60+3.8
7.50±2.0
2.00±1.0
T
T
100±50
Chromato- Elution
graphic Temp . Compound ppb
Peak No. (°C)
43 168 Cn,H,, + C..H-. isomers
13 26 13 28
44 181 methylnaphthalene isomer
45 184 methylnaphthalene isomer
46 186 C..H,, isomer
12 16
47 188 C. .H,, isomer
I/ J.O
48 189 C12H16 + C13H18 isomers
49 190 c13Hia lsomer
50 192 C..H0, isomer (tent.)
14 £O
51 193 ci4H26 lsomer
52 193 C14H3Q isomer
53 194 ci4H24 isomer (tent.)
53A 196 dimethylphenanthrene isomer
54 198 C..H-., isomer
14 30
55 203 dimethylphenanthrene isomer
T
168.88+60
111.00+70
0.26+0.13
T
T
T
2.80+1.2
0.50+0.3
0.60+0.3
1.20+0.3
0.56+0.2
2.60+1.3
0.44+0.2
338
-------
Table C24.
VOLATILE ORGANICS IN WATER (-13L) FROM ENVIRONMENTAL MONITORING WELL
#4, POST-GASIFICATION (LLL, ERDA)
Chromato-
graphic
Peak No.
2
2A
2B
3
3A
3B
3C
3D
4A
4B
4C
5
6
6A
8
8A
9
9A
9B
10A
10B
IOC
10D
11
11B
11C
11D
13
13A
13B
13C
13D
13E
13F
13G
14
14A
15
16
16A
16B
16C
16D
16F
16G
Elution
Temp.
42
44
45
45
47
48
49
50
54
55
57
60
63
63
66
67
69
72
74
82
85
87
88
89
101
103
106
110
112
114
115
115
117
118
120
129
129
131
135
135
139
139
142
143
144
Compound
CO,
acetaldehyde
C.H- isomer + n-butane
48 —
C.H0 isomer
4 8
C..H-. isomer
C,.H12 isomer
C..H..,, isomer
C-H,,, isomer
C-H0 isomer
J 0
C(-H_- isomer
diethyl ether (tent.)
C,H.. , isomer
6 14
perf luorobenzene (eS)
n-hexane
perfluorotoluene (eS)
C.-H-.,, isomer
b iz
benzene
thiophene
C6H1Q isomer
C.,H, . isomer
7 14
C H . isomer
C_H - isomer
C-H^. isomer
toluene
C8H14 Is0mer
CgH^, isomer
CqH, - isomer
ethylbenzene + CnH. ,. isomer
y ib
xylene isomer
C9H20 isomer
C9H20 lsomer
xylene isomer
C9H20 isomer
C.,.H-2 isomer
C.QH2- isomer
C11H24 lsomer
C.-alkyl benzene isomer
C11H24 isomer
C10H20 Is0mer
benzaldehyde
C,-alkyl benzene + C,-alkyl
benzene isomers
C11H22 lsomer
C11H24 isomer
phenol
CUH22 isomer
ppb
T
NQ
T
T
T
T
T
T
T
0.13+0.1
0.17+0.1
5.00+2.5
T
290+90
0.87+0.3
T
T
T
T
T
T
T
T
0.25+0.1
0.23+0.1
0.16+0.1
0.12+0.1
0.26+0.1
0.15+0.1
0.12+0.1
0.09+0
3 . 25+1
T
0.50+0.3
0.61+0.1
p. 30+0.1
T
T
T
NQ
T
Chroma to-
graphic
Peak No.
17
17A
17B
17C
17D
17F
18
19
19A
19B
20
20A
21
22
22A
23
24
25
26
27
27A
27B
27C
27D
28
29
31
32
34
Elution
Temp.
153
154
155
156
159
163
167
169
169
177
184
185
186
188
189
190
192
193
195
196
197
198
198
199
200
203
205
206
244
Compound
CUH24 isomer
acetophenone
CnrtH,0 isomer (tent.)
10 12
ppb
T
0.50+0.2
T
C,-alkyl benzene isomer (tent) T
cresol isomer
C,-alkyl phenol isomer
naphthalene
C.-alkyl phenol isomer
^i-dodecane
C,-alkyl phenol isomer
6-methylnaphthalene
n-tridecane
a-methylnaphthalene
C,-H.., isomer
12 ID
C-i^H, Q isomer
C,,fLg + 1-phenylheptane
C--alkyl benzene isomer
C13H18 lsomer
biphenyl
C, _H__ isomer
15 32
C14H28 + C13H14 isomers
C.-alkyl naphthalene isomer
C14H30 ls°mer
C15H30 is°mer
CUH20 isomer
2, 4-ditertiary butyl phenol
C15H26 isomer (terlt->
unknown
n-C 7H,_ isomer
NQ
NQ
0.53+0.1
NQ
0.18+0.1
NQ
0.47+0.2
0.22+0.1
0.74+0.3
T
T
0.42+0.2
1.28+0.7
T
6.20+4.0
2.10+1.0
—
1.70+0.1
T
T
T
T
NQ
T
NQ
T
339
-------
U)
*>
o
, J'-'J"
15 0 ii faSEO
Mass Spectrum No.
Figure C12. Profile of volatile organics in water sample (-14L) from
environmental monitoring well #2, post-gasification (LLL,
ERDA).
-------
Table C25. VOLATILE ORGANICS IN WATER (-14L) FROM ENVIRONMENTAL MONITORING WELL
#2, POST-GASIFICATION (LLL, ERDA)
Chromato-
graphic
Peak No.
2
2B
2C
2D
2E
2F
2G
3A
3B
4A
4B
4C
4D
5
5A
6
6A
7A
8
8A
SB
8C
8D
8F
9A
10
10A
10B
IOC
10D
10E
10F
10G
10H
101
10J
11
12
13
13A
14
14A
14B
Elution
Temp.
39
41
42
43
43
44
45
48
48
52
53
53
54
55
56
57
58
61
61
62
64
64
67
68
74
86
94
106
108
111
113
114
117
121
125
126
126
129
130
131
132
133
134
Compound
co2
C.H_ isomer
4 8
C.H. + C.H1n isomers
48 4 10
C.H. isomer
4 8
acetaldehyde
C H isomer
C.IL.- isomer
C-H^. isomer
furan + C.H isomer
propanal
diethyl ether
Cj.Hln isomer
C,H , isomer + unknown
acetone
C,.H, , isomer
6 14
perfluorobenzene (eS)
n-hexane
C..H, . isomer
7 16
perfluoro toluene (e£)
C,H, _ isomer
b Li
C,H , isomer + ri-butanal
(tent.)
C_H1 , isomer (tent.)
benzene
C-jH.,, isomer
/ lo
C?H14 isomer
toluene
n-octane
ethylbenzene
xylene isomer
C9H20 ls°mer
styrene + C.-alkyl benzene
isomer
n-nonane
C I!-, isomer
C10^22 *-somer
C)lOH22 isomer
C -alkyl benzene isomer
C11H24 is°mer
C11H24 isomer
C11H24 isomer
C.-alkyl benzene isomer
C10H22 lsomer
<'10H22 isomer
benzaldehyde
ppb
NQ
NQ
T
T
T
T
T
0.89+0.3
T
T
T
NQ
0.87+0.3
1.20+0.6
9.17+3.9
0.03+0
T
T
T
0.22+0.1
T
T
43.34+10
T
T
0.83+0.4
0.25+0.2
T
0.37+0.2
0.25+0.1
0.13+0
T
T
4.00+3.2
0.60+0.3
0.57+0.3
T
0.75+0.1
0.60+0.1
0.28+0.1
Chromato-
graphic
Peak No.
14C
15
16
16A
16B
17A
18
ISA
18B
18C
18D
18E
19
19A
20
20A
21
21A
21B
21C
21D
22
23
23A
23B
24
25
25A
26
26A
26B
26C
26D
27
27A
27B
27C
27D
Elution
Temp.
137
138
141
144
146
149
150
151
155
158
149
160
160
163
165
167
167
169
170
177
178
182
184
193
195
197
199
200
205
206
207
207
208
209
210
211
212
212
Compound
C.-alkyl benzene isomer C
C11H24 isomer °
C,_H_ . isomer
12 26
phenol + C, -alkyl benzene
isomer
C^-alkyl benzene isomer
CUH22 isomer
n-undecane
acetophenone + methylbenzo- 0
furan isomer
cresol isomer
cresol isomer
C.-alkyl benzene + C.-alkyl
benzene isomers
cresol isomer (tent.)
C.-alkyl phenol isomer
C2-alkyl phenol isomer
ppb
.35+0.1
.26+0.1
T
NQ
T
T
T
.85+0.1
NQ
NQ
NQ
NQ
NQ
NQ
naphthalene 94.44+38.8
n-dodecane 1.11+0.5
C -alkyl phenol isomer
C2-alkyl phenol + C2-alkyl
benzofuran isomers
C.-alkyl phenol isomer
C.. .H_. isomer
C.-alkyl phenol isomer
B-methylnaphthalene 0.
ct-methylnaphthalene 0.
biphenyl 0.
ethylnaphthalene + C -alkyl 0.
tetrahydronaphthalene isomer
dimethylnaphthalene isomer 4.
C.-alkyl naphthalene isomer
C.-H._ isomer
C.-alkyl naphthalene + C.H,,.
(tent.) isomers
biphenylene 8.
C2-alkyl naphthalene isomer 2.
C^gH., isomer
C2-alkyl naphthalene + C ,H2-
isomers
acenaphthene 4.
C14H20 isomer (tenc-) 5-
n-pentadecane
C15H30 1SOmer
Cg-alkyl phenol or C.,H. ,
isomers
NQ
NQ
NQ
NQ
NQ
35+0.2
50+0.2
13+0.1
36+0.2
5
71+2.1
T
T
T
33+2.6
80+1.4
T
T
68+0.4
00+2.0
T
T
NQ
(continued)
341
-------
Table C25 (cont'd)
Chromatic- Elution
graphic Temp . Compound
Peak No. (°C)
30A 223 n-hexadecane
32 240 C. ,H_, isomer
I/ Jo
ppb
0.25+0.1
2.50+1.0
Chromatic- Elution
graphic Temp.
Peak No. (°C)
Compound
342
-------
Table C26. VOLATILE ORGANICS IN LIQUID SAMPLE (-15T) FROM PRODUCTION WELL #1,
POST-GASIFICATION (LLL, ERDA)
Chromato-
graphic
Peak No.
1
2
3
5
8
9
10
11
13
14
15
16
18
19
20
21
22
23
24
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
Elution
Temp.
40
41
44
48
53
56
57
58
62
88
91
92
113
113
115
126
128
132
133
134
134
137
138
139
142
145
149
150
150
151
152
152
153
155
157
158
160
160
165
166
166
167
168
169
170
171
Compound
N + 0
2 2
CO,
C,H_ isomer
acetaldehyde
diethyl ether
acetone
perf luorobenzene (eS)
C,H. . isomer
6 14
perfluorotoluene (eS)
toluene
C.H., , isomer
o ib
C0H1a isomer
O ID
C9-alkyl benzene isomer
styrene
CqH9n isomer
C,-alkyl benzene isomer
C,QH22 isomer
C^-alkyl benzene isomer
benzaldehyde
benzofuran
CinH99 isomer
10 22
C,-alkyl benzene isomer
phenol
C,-alkyl benzene isomer
C,-alkyl benzene isomer
C,-alkyl benzene isomer
C,H_,-benzene isomer
C.H.-benzene isomer
4 7
C11H22 isomer
methylbenzofuran isomer
dioxan (tent.)
C,,H., isomer
11 24
methylbenzofuran isomer
ethylphenol isomer
C_-alkyl benzene isomer
ethylphenol isomer
ethylphenol isomer
C,--alkyl benzene isomer
naphthalene
C,.H,. isomer
12 24
C,-alkyl benzene isomer
C cH. .-benzene isomer
C, 9H^, isomer
12 26
C.Hg-benzene isomer
C,H. . -benzene isomer
b 11
dimethylbenzofuran isomer
ppm
NQ
24+10
T
9.2+2.2
T
31.2+14
5.2+1
6.2+1.4
2+0.6
T
T
T
1+0.7
5.6+0.4
6+2
2+1
2.8+1.2
1.6+0.4
NQ
3.2+1.6
5.6+1
5.7+0
T
T
1+0.9
6.6+2.4
24+10
T
6+2.2
NQ
T
NQ
NQ
8.8+3
12.4+3
T
T
0.2+0
3.2+0.2
16.4+2
T
0.6+0.4
Chromato- Elution
graphic Temp . Compound ppm
Peak No. (°C)
53 173 C..H.. isomer T
12 22
54 178 C,H. , -benzene isomer T
b 11
55 181 trimethylindan isomer T
56 182 B-methylnaphthalene 8+2
57 184 C,Hnl -benzene isomer T
b 11
58 185 a-methylnaphthalene 24+2.1
59 187 C^H, .-benzene isomer T
b 11
60 192 C,Hn -benzene isomer T
b 11
61 195 C...H.,, isomer T
1J Zb
343
-------
Table C27. VOLATILE ORGANICS IN WATER (-16L) FROM DEWATERING WELL #4,
POST-GASIFICATION (LLL, ERDA)
Chromato-
graphic
Peak No.
1
2
2A
3
3A
3B
3C
4
4A
5
5A
5B
5C
5D
5E
6
6A
6B
7A
7B
8
9
9A
10
11
11A
11B
12
12A
12B
12C
12D
13
13A
13B
14
14A
15
15A
15B
15C
15D
15E
15F
Elution
Temp.
(°C)
41
44
44
45
47
49
49
50
50
51
52
54
58
58
58
60
60
61
62
64
64
68
70
73
76
80
81
81
82
84
86
88
88
88
88
89
89
91
96
97
98
100
101
101
Compound
co2
C ,HQ isomer + n-butane
acetaldehyde
C,H0 isomer
4 8
isopentane
C5H1Q isomer
n-pentane
fur an
C5H10 + C2H6S isomers
acetone
carbon disulfide (tent.)
C,H0 isomer
J O
C-Hn . Isomer
6 14
C,H, _ Isomer
b L£
2-propanol
perfluorobenzene CeS)
^i-hexane
C,H_ „ isomer
D 12
propionitrile
methyl ethyl ketone
perf luorotoluene (eS)
benzene + C,H, . isomer +
D 1U
isobutyronitrile
thiophene
methyl isopropyl ketone
C_H isomer
C7H12 + C7H14 isomers
n-butyronitrile
C-1L. isomer
2-pentanone
3-pentanone
C7H12 isomer
a-methylbutyronitrile
C-,H12 isomer + 4-methyl-2-
pentanone
2-methyl-3-pentanone
3-methyl-2-pentanone
toluene
methylthiophene isomer
methylthiophene isomer
CgH , isomer
acetic acid (tent.)
C8H14 isomer
3-hexanone
2-hexanone
C8H14 isomer + cyclopentanone
ppb
NQ
T
T
T
0.25+0
0.44+0.1
0.19+0
T
9.52+1.7
NQ
T
T
T
0.95+0.1
0.16+0
T
3.20+1.1
1.78+0.8
97.73+17
5.63+0.5
1.18+0.3
T
T
2.40+1.0
T
2.51+0.6
0.56+0.1
T
T
2.75+0.9
5.14+1.0
3.25+0.6
5.38+0.8
6.75+0.6
6.77+0.5
T
NQ
T
0.34+0.2
0.41+0.1
T
Chromato-
graphic
Peak No.
15G
16
16A
16B
17
18
ISA
19
20
20A
21
22
23
24
24A
25
26
27
28
29
29A
30
31
31A
32
32A
33
34
35
35A
36
37
38
39
40
41
41A
41B
41C
4 ID
42
42A
(continued)
Elution
Temp . Compound
(°C)
103
104
105
105
108
109
110
111
113
113
114
117
119
121
123
124
126
127
129
131
131
134
137
137
138
139
141
143
144
144
145
146
147
149
150
151
151
152
152
153
153
154
C_H. ,0 ketone isomer
C,H, , 0 ketone isomer
/ 14
C5H1QS isomer
C,H. .0 isomer
0 1U
ethylbenzene
C.-alkyl thiophene isomer
xylene + C.-alkyl thiophene
isomers
C_-alkyl thiophene isomer
C--alkyl thiophene isomer
styrene
xylens isomer
C?-alkyl thiophene isomer
CgHlg isomer
isopropylbenzene +
C,-alkyl thiophene isomer
C,-alkyl thiophene isomer
C..Hi,0 ketone isomer
8 lo
n-propylbenzene
C3-alkyl benzene + C,-alkyl
thiophene isomers
C,-alkyl thiophene isomer
C,-alky.l benzene isomer
C -alkyl thiophene isomer
C,-alkyl benzene + benzofuran
C_-alkyl thiophene isomer
C, -alkyl thiophene isomer
C^-alkyl benzene isomer
C, -alkyl benzene Isomer
CgH - isomer or indan
CnH0 isomer or indene
7 O
C, -alkyl benzene Isomer
C, -alkyl thiophene isomer
C, -alkyl benzene isomer
C, -alkyl thiophene isomer
C, -alkyl benzene Isomer
C, -alkyl thiophene isomer
C, -alkyl benzene Isomer
C10H12 lsomer
C, -alkyl benzene isomer
C1QH12 isomer
C, -alkyl benzene isomer
C10H12 lsomer
C, -alkyl benzene Isomer
C, -alkyl benzene isomer
ppb
0 . 11+0
1.92+0.5
T
T
33.25+7.0
0.88+0.1
68.57+13
T
0.55+0.1
3.73+1.0
60.00+10
T
T
32.00+17
T
0.78+0.2
34.00+4.0
2.50+1.2
1.08+0.3
T
T
T
T
T
5.81+1.1
T
0.88+0.2
1 . 10+0 . 5
3.94+0.5
T
1.50+0.5
0.78+0.3
0.55+0.2
0.48+0.2
1.00+0.2
0.42+0.1
T
T
T
T
0.38+0.2
T
344
-------
Table C27 (cont'd)
Chromato-
graphic
Peak No .
42B
Elution
Temp.
(°C)
155
Compound
C5-alkyl
benzene
+ methyl
benzofuran isomera
44
44A
45
46
156
157
158
159
C^-alkyl
C11H14 +
isomers
C5-alkyl
benzene
C5-alkyl
benzene
isomer
thiophene
Isomer
C H isomer
ppb
40.17+8.0
0.50+0.2
T
T
1.10+0.5
Chromato-
graphic
Peak No.
46A
46B
47
48
48A
48B
48C
Elution
Temp.
(°C)
159
159
161
168
169
171
179
C5-alkyl
isomers
C5-alkyl
C5-alkyl
Compound
benzene + C H
benzene isomer
benzene isomer
naphthalene
C2-alkyl
C2-alkyl
phenol isomer
phenol isomer
B-methylnaphthalene
ppb
T
T
0.48+0
0.71+0
NQ
NQ
0 . 08+0
2
2
345
-------
., a 33 3 h
96SO
9800 9 S 50
^ -pTm]m i'j—r -(^n™-j'"ir-| .
Mass Spectrum No.
Figure C13. Profile of volatile organics in water sample (-17L) from dewatering well #5,
post-gasification (LLL, ERDA).
-------
Table C28. VOLATILE ORGANICS IN WATER (-17L) FROM DEWATERING WELL #5,
POST-GASIFICATION (LLL, ERDA)
Chromato-
graphic
Peak No.
2
2A
3
4
4A
4B
5A
6
6A
6C
6D
7
7A
7B
8
9
9A
9B
10
10A
11
12
12A
13
13A
14
14A
15
ISA
15B
16
16A
16B
16C
17
17A
17B
17C
17D
17E
17F
17G
17H
18A
19A
19B
Elution
Temp.
41
43
45
50
52
53
53
53
53
55
55
56
57
58
60
62
62
64
64
66
66
68
68
70
72
74
74
79
80
81
82
82
83
85
89
89
90
91
91
92
96
98
99
112
115
119
Compound
co2
acetaldehyde (tent.)
C.H- isomer
4 8
C.H- isomer
4 8
C-H... isomer
C H isomer
C H - isomer
furan
C H isomer
carbon disulfide (tent.)
diethyl ether
acetone
C_H_ isomer
J 0
C_H 0 isomer
C,H, . isomer
6 14
perfluorobenzene (el)
n-hexahe
C-Hn - isomer
6 12
CfiH.-. isomer
methylcyclopentane
perf luorotoluene (eS)
methyl ethyl ketone
C6H1Q isomer
benzene
thiophene
C,H isomer
methyl isopropyl ketone
C H ^ isomer
C_H_ _ isomer
C7H14 + C7H16 is°mers
2-pentanone
C,H, , isomer
7 14
3-pentanone
C_H.2 isomer
C--alkyl. furan or £7^10 isot
4-methyl-2-pentanone
2-methyl-3-pentanone
toluene
methylthiophene isomer
methylthiophene isomer
3-methyl- 2-pentanone
C-H.., isomer
C-HL „ isomer
0 10
3-hexanone
C,H,-0 isomer
0 J L
C,H-,0 ketone isomer
7 14
ppb
-
T
NQ
NQ
T
T
T
T
T
NQ
0.88+0.2
5.18+0.4
T
T
0.59+0.2
7.11+0.7
9 . 00+2 . 1
T
2.86+0.7
2.46+1.0
0.37+0.2
11.62+1.7
8 . 09+1 . 9
T
2.41+0.6
T
T
T
2 . 28+0 . 7
T
9.87+0.4
T
aer T
0.57+0.2
1.27+0.6
58.05+11
17.60+6.0
T
0.50+0.2
T
T
0.61+0.3
T
t
Chromato-
graphic
Peak Ho.
20
20A
21
21A
22
22A
22B
22C
22D
22E
22F
23
23A
23B
23C
24
24A
25
25A
25B
25C
26
27
28
29
29A
30
31
31A
32
33
33A
34
34A
35
35A
35B
36
36A
(continued)
Elution
Temp.
109
110
110
114
115
117
119
120
121
125
125
128
128
129
129
130
131
132
132
135
135
135
140
142
143
144
145
147
148
149
150
152
153
154
156
156
157
160
160
Compound
ethylbenzene
C ,-alkyl thiophene isomer
C.-alkyl thiophene + xylene
isomers
C2~alkyl thiophene isomer
xylene isomer
C.-alkyl thiophene isomer
C.H.. p isomer
CqH _ isomer
C -alkyl benzene isomer
(tent.)
C H , or diethylfuran isomer
C _H-- isomer
C --alkyl benzene isomer
C, -alkyl thiophene isomer
C, -alkyl benzene isomer
C--alkyl thiophene isomer
C .,-alkyl benzene isomer
C, -alkyl thiophene isomer
C -alkyl benzene isomer
benzof uran
C_-alkyl thiophene isomer
C -H20 or C^-alkyl thiophene
isomer
C -alkyl benzene + C^-alkyl
benzene isomers
indan
indene
C -alkyl benzene isomer
C.-alkyl benzene isomer
C.-alkyl thiophene isomer
C.-alkyl benzene isomer
C -alkyl thiophene isomer
C.-alkyl benzene isomer
C, -.H- - isomer
C -alkyl benzene + methyl-
benzofuran isomer
methylbenzofuran isomer
C.-alkyl benzene isomer
C.-alkyl benzene + C.-alkyl
thiophene isomers
C10H12 + C11H14 lsoniers
C.-alkyl benzene isomer
C -alkyl benzene isomer
C, -H.. „ isomer
ppb
6 . 17+1
T
52.57+8
T
53.00+9
T
T
T
T
T
T
2.17+0
0.10+0
T
T
0.50+0
T
T
28.57+7
T
T
T
23 . 65+8
61.99+9
0.15+0
T
1.42+0
T
T
T
T
4.27+0
4 . 64+1
T
T
T
T
T
T
_ 2
.0
5
2
1
0
9
9
4
8
1
347
-------
Table C28 (cont'd)
Chromato-
graphic
Peak No.
37
37A
37B
37C
37D
37E
37F
38
38A
38B
Elution
Temp.
(°C)
162
163
164
169
171
176
186
196
197
199
Compound
C5-alkyl benzene + C,-alkyl
benzene isomers
C10H12 isomer
Cj-alkyl benzene isomer
naphthalene
C.-alkyl phenol isomer
Cj-alkyl phenol isomer
B-methylnaphthalene
biphenyl
C13H18 isomer
Cj-alkyl naphthalene isomer
ppb
T
T
T
0.22+0.1
NQ
NQ
0.16+0.1
0.61+0.1
T
T
Chromato- Elution
graphic Temp. Compound
Peak No. (6C)
' 1 — L.L ' • — \ -^
348
-------
Table C29. VOLATILE ORGANICS IN WATER (-18L) FROM DEWATERING WELL #4,
POST-GASIFICATION (LLL, ERDA)
Chromato-
graphic
Peak No.
1
1A
2
2A
3
3A
4
4A
5
5A
6
7
7A
8
10
10A
11
12
12A
13
14
15
ISA
15B
15C
15D
16
17
18
19
20
21
22
23
24
25
26
27
28
29
29A
30
Elution
Temp.
40
43
45
46
47
47
48
48
51
52
55
56
58
60
63
64
64
67
68
69
71
73
73
75
76
77
81
82
83
84
87
88
91
92
94
99
101
102
102
103
103
104
Compound
co2
2-butene
C.H isomer
acetaldehyde
furan + C-H..- isomer +
acetone
diethyl ether (tent.)
acetonitrile
dimethyl sulfide
C_HQ isomer
J o
C^IL isomer
propionitrile
methyl ethyl ketone +
hexafluorobenzene (el)
2-thiobutane
methylcyclopentane
perfluorotoluene (a!)
C,H., isomer
6 10
benzene
thiophene + methyl isopropyl
ketone
3-methyl-2-thiabutane
cyclohexene
2-pentanone
3-pentanone
C H isomer
2-thiopentane
C_H isomer
C.IL.O ketone isomer (tent.)
2,3-dithiabutane
4-methyl-2-pentanone
2-methyl- 3-pentanone
toluene + 3*-methyl-2-
pentanone
2-methylthiophene
3-methylthiophene
3-hexanone
2-hexanone
thiacyclopentane
cyclopentanone
C H 0, isomer
fa 10 2
C^H 0 isomer
CyH. ,0 isomer
thiacyclohexane
cyclohexanone
epoxyheptane isomer (tent.)
ppb
-
NQ
T
69.80+30
58.90+6
5.55+1.1
1.05+0.2
NQ
T
T
5.28+0.7
14.54+6
0.38+0.1
0.25+0.1
T
87.23+9.0
45 . 36+10
2.64+0.7
0.96+0.3
4.76+0.4
62.82+8.1
T
I
T
T
T
34.90+8.9
51.21+0.2
87 . 77+13
15.71+0.9
16.81+1.0
21.81+5.0
41.45+9.9
0.98+0.2
0.25+0.1
NQ
NQ
NQ
2.18+0.5
1.81+0.5
NQ
Chromato-
graphic
Peak No.
31
31A
31B
32
33
34
35
36
37
37A
38
39
40
40A
41
41A
42
43
44
44A
45
46
46A
47
47A
48
49
49A
50
50A
51
52
53
53A
54
54A
55
56
57
(continued)
Elution
Temp . Compound
105
106
107
107
109
110
111
112
114
115
117
118
119
120
121
121
122
123
124
125
126
127
128
129
129
130
132
133
136
137
138
140
141
142
143
144
144
145
146
ethylbenzene isomer
ethylthiophene
dimethylthiophene isomer
_p_ or m-xylene
dimethylthiophene isomer
hexylnltrile
3-heptanone + dimethylthio-
phene isomer + styrene
2-heptanone + o-xylene
2 , 4-dimethylthiophene
CgH.^0 isomer (tent.)
anisole
isopropylbenzene + C^-alkyl
thiophene isomer
2 , 5-dimethyl thiacyclopentane
C-H.,,0 isomer
o lo
methylanisole isomer (tent.)
C.H.,0 isomer
o io
CgH ,0 isomer (tent.)
C-H^.O isomer (tent.)
n-propylbenzene
C, -alkyl thiophene isomer
ethyltoluene isomer
C -alkyl thiophene isomer +
1,3, 5-trimethylbenzene
n-heptylnitrile
o-ethyl toluene
C, -alkyl thiophene isomer
3-octanone
2-octanone + 1,2,4-
trimethylbenzene
benzofuran
trimethyl thiophene isomer
methylanisole + C, -alkyl
benzene isomers
1,2,3-trimethylbenzene +
C, -alkyl benzene isomer
indan
indene
C,-alkyl benzene isomer
C, -alkyl benzene isomer
C, -alkyl benzene isomer
C, -alkyl thiophene isomer
C, -alkyl benzene isomer
CnH100 + C, -alkyl thiophene
y io 4
isomers
ppb
44.96+9.9
3.35+0.9
5.00+0.5
51.37+11
7.17+0
5.10+1.0
3.77+1.2
59.55+7.0
2.88+0.2
T
3.44+0.9
T
0.52+0.1
T
T
T
6.75+0.7
7.77+0.8
T
T
11.42+5.0
3.56+0.9
0.78+0.1
5.41+1.0
T
3.27+0.5
6.42+1.0
33.74+1.5
0.81+0.4
0.51+0.1
125+30
29.10+5
1.75+0.9
T
0.55+0.1
T
1.99+0.9
2 . 05+1
2.75+0.4
349
-------
Table C29 (cont'd)
Chromato-
graphic
Peak No.
57A
58
59
60
61
62
63
64
65
65A
66
Elution
Temp.
146
147
148
149
151
152
153
155
157
157
158
Compound
octylnitrile (tent. ) +
C,-H isomer
C.-alkyl benzene isomer
methylindan isoraer
C.-alkyl benzene isomer +
2-nonanone
C^-alkyl benzene isomer
2-methylbenzof uran
methylbenzofuran isomer
C.-alkyl benzene isomer
C.-alkyl benzene isomer
C H_. isomer
methylindan + C -alkyl
benzene isomers
ppb
2.
7.
1.
7.
1.
38
19
35+0.7
98+0.9
74+0.6
22+2.6
U+0.3
.11+6.0
-00±5.1
T
T
T
Chroma to-
graphic
Peak No.
67
67A
67B
67C
67D
68A
68B
69
70
Elytion
Temp.
160
160
161
166
169
215
220
222
223
Compound
2,6-dimethylstyrene -+ C H
isomer (tent.)
C,-a.lkyl benzene isomer
C.-alkyl benzene + methyl
indene isomers
naphthalene
C.. uH. „ . isomer
n-pen tadecane
isopropylnaphthalene isomer
unknown
C,-alkyl naphthalene isomer
+ n-hexadecane
ppb
1.51+0
0.15+0
0.94+0
0.22+0
T
0.32+0
0 . 08+0
0.69+0
5
1
1
1
1
350
-------
3 0 OOO—i
•H
CO
CD
(3
H
°H Eon o o —
£
0)
H
(-1
t_j
C
O
CO H
On ,
i , i —
M n) i o o o o --
o
H
0)
•H
cd
•H
CD
erf o-
9
f
'1 ^
1 1 A
1 l,__^Jj^^,A,._^J
3 0 '' 0 ' fi 0 7 0
1500 1550
|
1'
^
8 0
5
\nj\2 'I <>
^imlTT.-p-rm^^p.-ij^^^j^
10 ' 107010
1600
1
V
\7 a IJ
1
q
1
u.
1
1
1
y
11* ' (
UrH
1 0
7
]
i
fl
7 (1
' I
1 is ISr10 7"
ltf\)^X^,\
J '6 U - --J ir-s,i
pTTTjIITrpITTl.-TIil^lpnjTTlIjTTTlpllllllrrpTnYn^l.lllT^VT^TTpTllllJIT^lm
l( 0 ^0 70 FIQ 90 10 20 30 'tO 60 71) RO ^0 10 ? 0 ^0
1 fe?0
1700 1750 18 0 M
Mass Spectrum No.
Figure C14. Profile of volatile organics in liquid sample (-19L) from production well #1,
post-gasification (LLL, ERDA).
-------
Table C30. VOLATILE ORGANICS IN LIQUID SAMPLE (-19L) FROM PRODUCTION WELL #1,
POST-GASIFICATION (LLL, ERDA)
Chromato-
graphic
Peak No.
1
2
6
7
9
11
12
14
15
16
17
19
20
21
22
23
24
25
26
27
28
29
30
31
Elution
Temp . Compound
40
40
60
61
64
69
71
87
90
91
92
109
109
110
112
115
115
117
120
123
128
129
129
130
N +0
co2
perfluorobenzene (eS)
C^H., , isomer
6 14
perf luorotoluene (eS)
benzene
thiophene
C-H.. ,., isomer
toluene
methylthiophene isomer
methylthiophene isomer
ethylbenzene
C H isomer
o ID
m- and/or £-xylene
dimethylthiophene isomer
CD-xylene
C H, isomer
9 18
C H isomer
9 20
C -alkyl benzene isomer
C HI R isomer
C -alkyl benzene isomer
C -alkyl benzene
CqH, o isomer
C H isomer
1.
0.
0.
0.
0.
0.
0.
3.
0.
1.
0.
0.
ppb
:
T
07+0.3
23+0.1
T
58+0.3
23+0.1
25+0
77+0.4
05+0
08+1 . 0
19+0.1
81+0.4
56+0.2
—
T
71+0.3
T
T
T
T
T
Chromato-
graphic
Peak No.
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
Elution
Temp . Compound.
131
133
134
136
137
139
140
142
143
144
145
146
148
149
149
150
151
153
156
157
158
160
162
C.,-alkyl benzene
isomer
trimethylthiophene isomer
C -alkyl benzene
C.,.H.0 isomer
10 22
isomer
C-Ht-.-benzene isomer
C, -alkyl benzene
C1f.H,?,. isomer
indan
C-...H-,, isomer
C, -alkyl benzene
C -alkyl benzene
C10H20 lsomer
C -alkyl benzene
C10H20 1SOmer
C, -alkyl benzene
isomer
isomer
isomer
isomer
isomer
methylindan isomer
Cn,H0» isomer
11 22
C..H.. isomer
11 24
CH -benzene isomer
C, -alkyl benzene
C -alkyl benzene
C^-alky! benzene
isomer
isomer
isomer
C.H .-benzene isomer
ppb
0.78+0
0.16+0
0.61+0
0.43+0
T
T
T
T
T
T
T
T
T
T
T
T
0.05+0
0.38+0
0.10+0
T
T
T
T
.3
.2
.2
1
352
-------
Table C31. VOLATILE ORGANICS IN WATER (-20L) FROM PRODUCTION WELL //I,
POST-GASIFICATION (LLL, ERDA)
Chromato-
graphic
Peak No.
1
2
5
7
8
11
12
13
14
15
16
18
20
22
23
25
26
27
28
29
31
Elution
Temp.
rc)
41
41
45
51
51
53
55
56
58
59
60
64
69
89
98
116
120
121
129
131
138
Compound
N2 + 02
co2
C.H0 isomer
4 8
acetaldehyde
furan
prop anal
dlethyl ether
acetone
butyl vinyl ether
perfluorobenzene (eS)
C,H, . isomer
6 14
perfluorotoluene (eS)
benzene
toluene
C,H.fl isomer
o lo
C_-alkyl benzene isomer
C_-alkyl benzene isomer
styrene
C9H20 isomer
C--alkyl benzene isomer
benzaldehyde
ppb
T
T
0.09-1-0
0.67+0.1
0.64+0.2
1.70+0.5
T
T
3.53+1.2
6.39+3.0
T
0.28+0.1
T
0.37+0.1
T
T
1.21+0.6
Chromato-
graphic
Peak No.
32
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
Elution
Temp. Compound
(°C)
140
156
156
156
159
162
167
168
169
172
172
179
181
183
184
187
196
198
200
202
C^-alkyl benzene isomer
methylbenzofuran isomer
C,-alkyl benzene isomer
C,-alkyl benzene isomer
methylindan isomer
C,-alkyl benzene isomer
naphthalene
C-Hq-benEene isomer
dimethylbenzofuran isomer
dimethylbenzofuran isomer
C,-alkyl benzene isomer
C H „ isomer
C. ..H. , isomer
1Z ID
C_-alkyl benzene isomer
methylnaphthalene isomer
C12H16 isomer
biphenyl
C13H18 isomer
ethylnaphthalene isomer
ethylnaphthalene isomer
ppb
T
3.33+1
T
T
T
T
5 . 02+1
T
0.05+0
0.03+0
T
0.06+0
0.07+0
T
T
T
0.23+0
T
0.14+0
0.28+0
1
75
1
353
-------
Table C32. VOLATILE ORGANICS IN PRODUCT TAR (-1L) FROM IN SITU
COAL GASIFICATION, HANNA #2, PHASE
I (LERC, ERDA)
Chromato-
graphic
Peak No.
1
1A
IB
1C
ID
2
4
4A
6
6A
7
9
11
13
14
15
15A
15B
16
17
18
19
19A
19B
20
21
22
22A
22B
22C
23
24
25
26
26A
27
28
29
30
30A
3 OB
31
Elution
Temp . Compound
77 S02
81 1-butene
82 n-butane
83 2-butene
83 C.H, isomer
4 8
84-9 acetaldehyde
92-8 acetone
96 n-propyl methyl ether
103 cyclopentadiene
104 carbon disulfide
104-6 cyclopentene
109 n-propionitrile
111 methyl ethyl ketone
119 2-methylpropionitrile
123 unknown
127 methyl isopropyl ketone +
C.-H- n isomer
127 benzene
130 thiophene
131 2-pentanone
133 3-pentanone
140 2-methyl-l,5-hexadlene
144 tl-methylpyrrole
145 methyl isobutyl ketone
145 dimethyl sulfide
146 pyrrole
147 methyl sec-butyl ketone
149 n-bucyronitrile
150 toluene
153 methylthiophene isomer
154 3-hexanone
155 2-hexanone
157 C_H, , isomer
/ ib
159 tetrahydrothiophene + di-
me thy Icy clohexene isomer
163 C-H1Q isomer
o 1O
163 2-methylpyrrole
165 3-methylcyclopentanone
168 thiacyclohexane
170 ethylbenzene
172 _p_-xylene
174 ethyl butyl ketone
175 2,5-dimethylthiophene + 2-
heptanone
176 styrene + CgH , isomer t-
dimethylthiophene isomer
Chromato-
graphic
Peak No.
32
33
34
35
36
37
38
39
40
41
42
43
44
45
45A
46
47
48
49
50
51
52
53
53A
54
55
56
57
58
58A
60
61
62
63
64
64A
65
(continued)
Elution
Temp . Compound
177 o-xylene + C9H16 isomer
179 2,4-dimethylthiophene
180 phenylhydrazine (tent.)
183 isopropylbenzene + GgH2o
isomer
186 n-propylbenzene + CgH isomer
188 n-ethyltoluene + trimethylthio-
phene isomer
193 p_-ethyltoluene + trimethyl-
thiophene isomer
196 1,3,5-trimethylbenzene + a-methyl
styrene + benzofuran
201 t^-butylbenzene + C^-alkyl
thiophene isomer
202 1,2,4-trimethylbenzene
205 indan
207 indene
210 s ec-bu ty Ib enz ene
212 o-cymene
212 m-ethylstyrene
212 C,-alkyl benzene isomer
214 jn-undecane + C,-alkyl benzene
isomer
216 Cr-alkyl benzene isomer
217 2-methylbenzofuran
220 C,-alkyl benzene isomer +
2 , 6-dimethy Is tyrene
220 C_-alkyl benzene isomer
220 C--alkyl benzene isomer
220 5-methylindan
220 n-pentylbenzene
220 3-methylindan
220 C--alkyl benzene isomer
220 1-dodecene
220 n-dodecane
220 naphthalene + 1,3-dimethyl-
indan
220 dimethylbenzof uran isomer
220 trimethyllndan isomer
220 C12HL6 isomer
220 C,.-alkyl benzene isomer
220 C..H_. isomer
-L J i.o
220 3-methyl-l,2-dihydro-
naphthalene
220 C11H14 isomer
220 1-tridecene
354
-------
Table C32 (cont'd)
Chromato-
graphic
Peak No.
66
67
68
69
Elution
Temp.
rc)
220
220
220
220
Compound
n-cridecane
C,0H,, isomer
J_Z ID
B-methylnaphthalene
a-tnethylnaphchalene
Chromato- Elution
graphic Temp.
Peak No. (°C)
Compound
355
-------
Table C33. VOLATILE ORGANICS IN GROUND WATER (-2L) FROM WELL #5
PRIOR TO IN SITU COAL GASIFICATION (LERC, ERDA)
Chromato-
graphic
Peak No.
1
3
4
5
6
7
8
9
9A
10
11
11A
12
12A
12B
13
14
14A
15
16
16A
17
18
19
19A
20
20A
21
22
23
24
25
26
26A
27
28
29
30
30A
31
32
33
34
35
38
38A
Elution
Temp.
42
127
145
146
147
150
156
153
160
167
170
170
173
173
173
175
177
177
179
180
181
183
184
185
186
190
190
192
193
194
195
196
197
197
198
199
201
202
202
203
204
205
206
207
208
209
Compound
co2
toluene
ethylbenzene
m-xylene
_p_-xylene
3-heptanone
styrene
£-styrene
isopropylbenzene
n-propylbenzene
m-ethyltoluene
ppb
NQ
2.5+1
1.7+0.60
0 . 1+0 . 10
0.35+0.25
0.01+0.01
1.2+0.50
0.4+0.01
0.02+0.01
0.5+. 03
0.1+.03
p_-ethyltoluene + benzaldehydeO. 10+.03
1,3, 5- trimethylbenzene
C10H20 isomer
C,,,H__ isomer
10 22
j3-ethyltoluene
benzof uran
1,2, 4- trlmethylbenzene
C10H20 1S°mer
n-decare
C10H20 isomer
C.-alkyl benzene Isomer
CqH isomer (?)
1,2,3- trimethylbenzene
C.-alkyl benzene isomer
indene
_p_-propyl toluene
^i-butylbenzene
C11H24 lsomer
o-propyl toluene
methylindan
C H isomer
ethylheptanal isomer (tent
C.-alkyl benzene isomer
methylindan isomer
n-undecane
C,.-alkyl benzene isomer
C, -alkyl benzene isomer
C^-alkyl benzene isomer
C H isomer
tetramethylbenzene Isomer
C -alkyl benzene isomer
dimethylstyrene isomer
methylindan isomer
C -alkyl benzene Isomer
Cj-alkyl benzene isomer
0.01+.01
trace
0.50+.10
0.04+.01
0.05+.01
0.03+.02
0.05+.04
trace
trace
trace
trace
0.1+.05
0.65+.04
0.03+.03
0.10+.05
trace
0.10+.10
0.07+.07
trace
1.4+.85
) NQ
0.01+.01
trace
0.15+.05
trace
trace
trace
trace
0.02+.02
trace
0.01+.01
0.03+.03
trace
trace
Chromato-
graphic
Peak No.
39
40
40A
40B
41
42
43
44
45
46
47
47A
48
49
50
51
52
53
54
Elution
Temp.
209
210
210
210
212
213
215
216
218
219
220
220
223
227
232
233
235
238
240
55 isothermal
56
57
58
59
60
61
62
63
64
65
66
67
68
Compound
C12H24 lsomer
C12H24 isomer
C -alkyl benzene Isomer
methylindene Isomer
methylindene isomer
1, 2,3,4- tetrame thy 1-
naphthalene
C12H24 isomer
dime thy lindan isomer
ri-dodecane
naphthalene
dimethy lindan isomer
dimethylindan isomer
C, -alkyl benzene isomer
o
C- ^H0, isomer
13 26
C14H30 isomer
trimethylindan isomer
n-tridecane
B-me thy Inaph thalene
C12H16 isomer
n-tetradecane
C14H28 isomer
blphenyl
ethylnaphthalene isomer
ethylnaphthalene isomer
C15H30 isomer
dimethylnaphthalene isomer
dimethylnaphthalene isomer
dimethylnaphthalene isomer
dimethylnaphthalene isomer
C H,, isomer
C.j,H,, isomer
C15H30 lsomer
n-pentadecane
ppb
trace
trace
trace
0.01+.01
trace
0.01+. 01
trace
0.03+.03
trace
2.7+. 15
0.06+.05
0.08+.03
trace
trace
0 . 2+. 05
trace
0.3+.05
177+33
trace
0.1+.05
trace
trace
trace
trace
0.05+.05
trace
0.20+.20
0.15+.15
0.03+.01
trace
trace
trace
NQ
356
-------
Table C34. VOLATILE ORGANICS IN GROUND WATER SAMPLE (-4L) FROM
WELL #6 PRIOR TO IN SITU COAL GASIFICATION (LERC, ERDA)
Chromato-
graphic
Peak No.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
Elution
Temp.
55
84
91
98
126
146
149
150
152
152
153
153
161
168
169
170
170
173
174
175
178
179
180
181
183
185
188
188
190
190
191
192
193
195
196
197
198
198
199
220
201
202
203
205
209
212
Compound ppb
co2
hexaf luorobenzene (eS)
per fluoro toluene (eS)
benzene 1.2
toluene 3.0
ethylbenzene 1. 3
m- and jij-xylene 0.7
3-heptanone T
2-heptanone T
styrene 1.5
o-xylene 0. 7
C0H- .. isomer T
o ID
isopropylbenzene T
n-propylbenzene T
m-ethyltoluene 0. 2
jp_- ethyl toluene T
benzaldehyde T
1,3, 5-trimethylbenzene 0.1
cyanobenzene 0 . 1
o-ethyltoluene 0. 05
1,2,4-trimethylbenzene 0.3
C1QH20 isomer T
n-decane 0.15
C10H20 isomer T
C.-alkyl benzene isomer T
1, 2, 3-trimethylbenzene 0.3
indan T
C10H28 1S°mer T
indene T
j>-propyltoluene 0.07
m-propyltoluene T
n-butylbenzene 0.04
o-propyltoluene T
methylindan isomer T
C.-alkyl benzene isomer 0.2
C.-alkyl benzene isomer T
C10H12 lsomer T
methylindan isomer T
n-undecane 0.2
C.-alkyl benzene isomer 0.1
C.-alkyl benzene isomer T
C.-alkyl benzene isomer T
C.. ^H_ . isomer T
-L L ZD
methylindan isomer T
methylindene isomer 0.2
methyllndene isomer T
Chromato- Elution
graphic Temp. Compound
Peak No. (°C)
47 213 C.-alkyl benzene isomer
48 213 1,2,3,4-tetramethylnaphtha-
lene
49 215 C..-H,. isomer
12 24
50 215 Cg-alkyl benzene isomer
51 216 dimethylindan isomer
52 217 n-dodecane
53 218 naphthalene
54 221 C,-alkyl benzene isomer
D
55 227 C13H26 lsonier
56 228 CioH9o isomer
13 /o
57 235 n-tridecane
58 238 g-methylnaphthalene
59 240 C?-alkyl benzene isomer
60 240 CisH32 lsomer
61 240 ji-tetradecane
62 240 ethylnaphthalene
ppb
0.15
0.05
T
T
T
0.4
3.5
T
T
T
0.2
2.0
T
T
0.3
T
357
-------
Table C35. VOLATILE ORGANICS IN GROUND WATER (-5L) FROM WELL #5
PRIOR TO IN SITU COAL GASIFICATION (LERC, ERDA)
Chromato—
graphic
Peak No.
1
3
4
4A
5
6
6A
8
8A
9
10
10A
10B
11
11B
13
13A
13B
13C
14
15
16
18
19
19A
20
20A
21
22
22A
23
24
24A
25
26
26A
27
27A
27B
28
29
29A
30
31
Elution
Temp . Compound
128
145
147
150
152
153
161
168
169
170
172
173
173
174
175
178
179
180
181
183
184
185
188
190
190
191
192
193
194
195
196
197
198
199
200
201
202
202
203
204
205
205
207
208
toluene
ethylbenzene
p_-xylene
3-heptanone
styrene
o-xylene
isopropylbenzene
n-propylbenzene
m-ethyltoluene
p_-ethyltoluene
benzaldehyde
1,3, 5-trimethy Ibenzene
C10H20 ±somer
cyanobenzene
o-ethyltoluene
1,2, 4- trime thy Ibenzene
C1QH20 isomer
n-decane
C10H2Q isomer
C.-alkyl benzene isomer
C9H1Q isomer
1,2, 3- trime thy Ibenzene
ClnH~n isomer and indan
indene
£-propyltoluene
in-propyltoluene
n-butylbenzene
C-...H,., isomer
11 24
o-propyl toluene
methylindan isomer
C^-alkyl benzene isomer
C.-alkyl benzene isomer
methylindan isomer
n-undecane
C_-alkyl benzene isomer
C.-alkyl benzene isomer
C.-alkyl benzene isomer
C_-alkyl benzene isomer
j
C.-H,,, isomer
LL Zo
tetramethy Ibenzene isomer
C -alkyl benzene isomer
methylindan or dimethylstyrenc
isomer
C -alkyl benzene isomer
C H isomer and C.-alkyl
benzene isomer
ppb
2.0+1
1.5+0.5
0.5+.25
trace
1.0 +.5
0.5+.02
0.06+.03
0.7+.03
0.1+.05
0.08+.01
trace
0.08+.01
trace
0.06+.01
0.08+.02
0.24+.07
trace
0.2+.05
trace
trace
trace
0.3+.04
trace
trace
0.08+.01
0.04+.03
0.04+.03
trace
trace
trace
0.2+.04
trace
trace
0.2+.03
0.1+.01
0 . 1+. 01
0.2+.01
trace
trace
0.3+.02
0.2+.01
trace
trace
trace
Chromato-
graphic
Peak No.
32
32A
32B
33
33A
33B
34
34A
35
35A
35B
36
37
38
39
40
41
42
43
44
44A
45
46
47
48
50
51
52
52A
53
54
55
57
Elution
Temp . Compound
210 C.-alkyl benzene isomer
210 C-2Hj, isomer
211 methylindene isomer
211 C.-alkyl benzene isomer
212 C.-alkyl benzene isomer
212 methylindene isomer
213 C.-alkyl benzene isomer
213 1,2,3, 4-tetramethy Inaphthalene
214 methylindene isomer
215 C12H,, isomer
215 C, -alkyl benzene isomer
0
216 dimethylindan isomer
217 n-dodecane
218 naphthalene
219 dimethylindan and C_-
alkl indan isonters
220 C.,H,0 isomer and C.-alkyl
1 J 2o J
benzene isomer.
221 C.-alkyl benzene isomer
222 C3-alkyl indan isomer
223 C.-alkyl benzene isomer
224 C.-alkyl benzene isomer
224 dimethylindan isomer
225 C.-alkyl benzene isomer
227 C^_H_. isomer
228 C,,H,0 isomer
-LJ /o
230 Cfi-alkyl benzene isomer
231 C,,H-_ isomer
14 30
232 dimethylindan isomer
233 trimethylindan isomer
234 C...H-, isomer
1J ZD
235 ^-tridecane
237 dimethylindan + tri-
methylindan isomers
238 B-methylnaphthalene
240 C.-alkyl benzene isomer
ppb
trace
trace
0.04+.01
NQ
NQ
trace
NQ
0.06+.03
trace
trace
trace
trace
0:3+.'03
2.0+.05
trace
trace
trace
trace
trace
trace
trace
0.2+
trace
trace
0.4+.05
0.1+.03
trace
trace
trace
0.2+.02
0.1+.05
200
trace
58 isothermal C, -H, , isomer
12 16
59
60
61
62
63
64
65
66
(continued)
C. ^H. . and C. ^H- 0
12 16 13 18
isomers
C^-alkyl benzene isomer
C13H18 isomer
C H isomer
C,,H_Q isomer
il-tetradecane
biphenyl
y ethylnaphthalene isomer
trace
trace
trace
trace
trace
0.2+.01
trace
trace
358
-------
Table C35 (cont'd)
Chromato- Elution
graphic Temp . Compound
Peak. No. (°C)
66A isothermal Ci5H30 isomer
67 dimethylnaphthalene isomer
69 dimethylnaphthalene isomer
70 dimethylnaphthalene isomer
72 C,,H_. isomer
16 34
73 dimethylnaphthalene isomer
74 C ,-H_.. isomer
76 ri-pentadecane
ppb
0.01+.01
0.20+.05
0.28+.07
0.29+.09
0.28+.09
0.08+.05
trace
0.10+.07
Chromato- Elution
graphic Temp . Compound PP^
Peak No. (°C)
359
-------
Table C36. VOLATILE ORGANICS IN PRODUCED WATER (-8L) DURING
WELL 5-6 IN SITU COAL GASIFICATION (LERC, ERDA)
Chromato-
graphic
Peak No.
3
4
5
8
9
10
11
13
16
17
ISA
19
20
21
22
23
25
27
28
30
31
32
33
34
34A
34B
35
36
37
38
41
42
43
44
45
45A
46
47
48
49
49A
50
51
Elution
Temp .
59-61
62-6
66
72
75
77
79
83-5
90
92
99
99-100
101
104
105
107
112
115
116
118
120
122
123
124
124-132
124
126
127
129
133
140
141
142
144
147
148
149
151
152
154
154
155
157
Compound
acetaldehyde
acetone
acetonitrile
carbon disulfide
n-propy lamine (tent.)
C6H10 isomer
propionitrile
methyl ethyl ketone
2-methylpropionitrile
+ unknown
perfluorotoluene (eS)
methyl isopropyl ketone
benzene
thiophene
n-butyronitrile
2-pentanone
3-pentanone
a-methylbutyronitrile
sulfur compound (?)
N-methylpyrrole
4-methyl-2-pentanone
2-me thy 1- 3-pentanone
pyrrole
n-pentylnitrile
toluene
pyridine
2-methylthiophene
ppb
34+5
9330+100
17 . 0+15
NQ
17.0+2
NQ
2000+55
5000+0
100+2
trace
6670+70
67+18
117+0
4700+800
2330+500
17+8
NQ
33+16
67+7
83+21
5000+500
133+33
5000+100
trace
trace
3-methylthiophene + 3-hexanone 330+28
2-hexanone
cyclopentanone
CglLg isomer
3-methylpyrrole
2-raethylcyclopentanone +
3-methylpyridine
2-raethylpyrrole
4-methylpyridine
ethy Ibenzene
C.H, , isomer
8 16
o_-xylene
2,5-dimethylthiophene +
aniline
2-heptanone
s tyrene
C..HT, isomer
8 16
o-xylene
dimethylpyridine isomer
670+55
167+35
33+21
1667+170
670+225
1660+1100
33+17
1660+10
trace
2670+25
67+15
17+8
100+50
1300+210
trace
1300+333
1670+945
(cor
Chromato-
graphic
Peak No.
51A
52
52A
52B
53
54
55
56
57
58
59
60
60A
61
62
63
63A
63B
63C
64
65
65A
66
67
67A
68
68A
69
70
71
72
73
74
75
76
77
78
79
80
81
81A
82
tinued)
Elution
Temp.
158
159
160
161
162
164
167
169
170
171
173
174
174
175
176
176
177
178
179
180
182
182
183
186
187
188
188-195
190
191
192
193
195
196
197
198
199
201
202
204
205
206
207
Compound
CpH-,. isomer
dimethylpyrrole isomer
dimethylpyridine isomer
dimethylpyrrole isomer
isopropylbenzene + dimethyl-
pyridine isomer
ethylpyrrole (tent.)
methylpyridine isomer
n-propy Ibenzene
m-ethyltoluene
p_-e thy 1 toluene
2-isopropylthiophene (tent.)
cyanobenzene
trimethylpyridine isomer
o-e thy 1 toluene
C H isomer + methyl-
ethylpyridine isomer
a-me thy Is tyrene
1,2, 4-trimethy Ibenzene
benzofuran + n-decane
ethylpyrazine (tent.)
trimethylthiophene isomer
C -alkyl benzene isomer
C11H24 lsomer
1,2, 3- trimethy Ibenzene
dlmethylaniline isoraer
trimethylpyridine isomer
indan
phenol
indene
C, -alkyl benzene isomer
methylcyanobenzene isomer
C1nH0,. + C,— alkyl benzene
1U ZU t\
isomers
C, -alkyl benzene isomer
C^H-_ isomer
o-cresol
methylindan Isomer
n-undecane
methylbenzofuran isoraer
2-ethylphenol
C, -alkyl benzene isomer
methylindan isomer +
C. -alkyl benzene isomer
dimethylindan isomer
^-cresol
ppb
trace
1000+250
trace
trace
33+17
NQ
NQ
167+25
3300+334
2.67+1
16.7+5
2670+352
trace
2000+299
300+206
2500+271
6670+491
1330+826
NQ
1330+279
167+38
trace
2670+811
58+40
trace
1000+210
6700+3990
1000+675
340+45
830+800
23+4
500+25
840+98
1730+1110
trace
187+91
3000+117
1000+177
670+392
trace
trace
trace
1660+778
360
-------
Table C36 (cont'd)
91A
92
93
94
95
96
97
98
99
100
101
102
103
104
106
107
107A
221 Cg-alkyl benzene isomer
222 4,7-dimethylbenzofuran
223 dimethylphenol isomer
224 5 , 6-dimethylbenzofuran
225 Cfi-alkyl benzene isomer
226 C^-alkyl benzene isomer
227 C,-alkyl benzene + C--
alkyl phenol isomer s
228 dimethylindene isomer
229 dimethylindan isomer
229 1-phenylhexane
230 methyldihydronaphthalene
isomer
232 methyldihydronaphthalene
+ C, -alkyl indan
isomer
233 1-tridecene
235 n-tridecane
236 trimethylindan isomer
237 C -alkyl phenol isomer
239 g-methylnaphthalene
240 2-isopropylbenzimidazole
108 isothermal a-methylnaphthalene
109
110
111
112
113
114
115
C...H.,, isomer (tent.)
LL 10
C13H18 ls°mer
C14H30 is°mer
C--alkyl benzene isomer
C-^.H-. isomer
1-tetradecene
biphenyl
' n-tetradecane
trace
1000+700
trace
trace
trace
trace
1000+970
1660+170
1000+170
67+15
670+76
800+136
900+376
5000+500
NQ
300+475
2830+284
trace
2000+100
68+34
100+52
117+27
150+75
670+300
1000+277
5330+534
2330+460
129 isopropylnaphthalene isomer NQ
130 C, -alkyl naphthalene isomer trace
131 tetramethylindan (tent.) trace
135 trimethylnaphthalene isomer NQ
137 C16H32 lsomer 1700+170
138 y n-hexadecane 2660+271
361
-------
Table C37. VOLATILE ORGANICS IN PRODUCED WATER (-9L) FROM
WELL 5-6 IN SITU COAL GASIFICATION (LERC, ERDA)
Chromaco-
graphic
Peak No.
1
LA
IB
2
3
3A
5A
6
8
8A
10
11
13
14
15
16
17
19
20
21
21A
22
23
24
24A
24B
24C
25
27
28
29
30
31
32
32A
32B
32C
33
33A
34
34A
35
35A
Elution
Temp. Compound
43
49
50
58
60
61-2
63-6
76
78
82
84
89
91
98
100
102
102
107
113
115
117
118
120
121
123
124
125-6
128
132
139
140
141
142
144
145
146
146
147
149
149
150
151
152
153
C02
1-butene
n-butane
acetaldehyde
dimethyl ether
acetone
acetonitrile
n-propylamine
propionitrile
methyl ethyl ketone
hexaf luorobenzene (eS)
isobutyronitrile
perf luorotoluene (eS)
benzene and methyl isopropyl
ketone
thiophene
n-butyronitrile
2-pentanone
3-pentanone
a-methylbutyronitrile
N-methylpyrrole
4-me thy 1- 3-pentanone
C.H.,0 isomer
pyrrole
n-pentylnitrile
toluene
2-methylthiophene
pyridine and 3-hexanone
2-hexanone
cyclop entanone
3-methylpyrrole
2-methylcyclopentanone
2-methylpyrrole
methylpyridine isomer
dimethylpyrrole isomer
n-hexylnitrile
ethylbenzene
C0H, , isomer
8 16
methylpyridine isomer
p_-xylene
aniline and dimethyl-
thiophene isomer
3-heptanone
dimethylcyclopentanone (tent.)
2-heptanone
C H 0 isomer
ppb
trace
trace
66+3
50+10
1223+100
1340+562
16+7
2000+120
2340+1000
83+21
7670+2200
150+50
1000+110
1660+140
830+235
trace
25+12
34+21
trace
4000+580
1670+295
1340+800
1000+345
trace
330+119
1670+891
2330+241
3000+322
2000+775
2170+1314
1330+610
4000+1200
1330+215
330+25
1000+625
670+111
1330+1100
trace
170+25
trace
trace
Chromato-
graphic
Peak No.
36
36A
37
38
39
40
40A
40B
41
41A
42
43
44
45
46
47
48
49
49A
49B
50
51
52
53
54
55
56
57
57A
58
59
60
61
62
62A
63
64
64A
65
66
67
(continued)
Elution
Temp.
153
154
155
156
157
159
160
161
162
163
164
167
169
170
171
172
174
175
176
177
178
179
182
185
186
188
190
191
192
193
194-6
197
198
200
201
202
204-6
209
210
211
212
213
Compound
styrene
C-H,,. isomer
o ID
£-xylene
cyclohexanone
dimethylpyridine isomer
dimethylpyrrole isomer
C,H00 isomer (tent.)
6 8
C..H,, isomer
o lo
dimethylpyridine and methyl-
cyclohexanone (tent.)
C.,HgN isomer
dimethylcyclopentanone
isomer (tent.)
2-methylcyclohexanone
n-propylbenzene
benzaldehyde
m-ethyl toluene
C-H. ,0 isomer
8 14
cyanobenzene
o-e thy 1 toluene
methylpyridine and dimethyl-
pyridine isomers
a-methylstyrene
1,2, 4-trimethylbenzene
benzofuran
trimethylthiophene isomer
1, 2,3-trimethylbenzene
phenol
indan
indene
C,-alkyl benzene isomer
methylcyanobenzene isomer
acetophenone
o-cresol
C,-alkyl benzene and
methylindan isomers
C10H12 isomer
methylbenzimidazole (tent.)
methylbenzofuran isomer
2-ethylphenol
£-cresol
methylindan isomer
methylindene isomer
ethylphenol isomer
methylindene isomer
dimethylphenol isomer
ppb
1000+230
trace
1670+717
170+90
1000+678
340+100
trace
trace
340+120
trace
830+391
330+29
trace
1340+519
350+50
trace
1000+117
1670+207
NQ
2000+197
1000+25
trace
34+9
3000+198
5670+3888
2340+676
NQ
250+28
350+32
340+120
10000+2000
1230+220
400+111
300+20
560+10
1000+317
4000+3100
trace
134+46
4200+300
157+39
1330+1075
362
-------
Table C37 (cont'd)
Chroma'to-
graphic
Peak No.
68
68A
69
70
71
72
73
73A
74
75
76
77
78
79
80
Elutlon
Temp.
(°C)
216
217
218
219
220
222
224
224
225
228
230
232
233
235
238
82 isothermal
83
84
87
88
88A
90
91
92
93
94
95
98
100
102
Compound
C^-alkyl phenol isomer
dimethylphenol isomer
dimethylphenol isomer
naphthalene
5, 6-dimethylbenzof uran +
dimethylphenol
2-ethylbenzimidazole
dimethylindan
ethylphenol isomer
methylethylphenol isomer
methylethylphenol isomer
dibenzof uran
C,-alkyl phenol isomer
trimethylphenol isomer
C,-alkyl phenol isomer
S-methylnaphthalene
C--alkyl phenol
a-methylnaphthalene
unknown
biphenyl
C H isomer
ID 32
C13H10 1S°mer
ethylnaphthalene isomer
dimethylnaphthalene isomer
dimethylnaphthalene isomer
dimethylnaphthalene isomer
biphenylene
n-pentadecane
acenaphthene
diphenylmethane
n-hexadecane
pph
340+110
trace
trace
8340+70Q
34+21
17+15
50+20
30+20
trace
340+100
350+130
167+55
187+125
237+100
350+217
1330+121
670+477
830+56
NQ
trace
trace
trace
67+27
67+25
116+20
167+92
83+40
170+38
trace
trace
Chromato- Elation
graphic Temp. Compound ppb
Peak No. (°C)
363
-------
Table C38. VOLATILE ORGANICS IN PRODUCT TAR (-10S) FROM
IN SITU COAL GASIFICATION (LERC, ERDA)
Chromato-
graphic
Peak No.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39.
40
41
42
43
44
45
Elution
Temp.
57
66
72
78
85
87
90
92
100
101
102
103
104
105
120
121
122
123
124
125
126
127
129
131
132
133
134
135
136
137
140
142
144
145
147
149
150
150
151
152
153
155
155
156
156
f
Compound
acetaldehyde
isopentane (tent.)
acetone
dimethylamine (tent.)
hexaf luorobenzene (e£)
n-hexane
methyl ethyl ketone
perf luorotoluene (eS)
benzene
thiophene
methyl isopropyl ketone
C-.HT . isomer
7 14
2-pentanone
n-heptane (tent.)
a-methylbutyronitrile
(tent.)
C0Hn , isomer
o J.D
4-methyl- 2-pentanone
2-methyl-3-pentanone
3-me thy 1- 2-pentanone
C-tL - isomer
toluene
2-methyl thiophene
3-me thy 1 thiophene
3-hexanone
C0Hn , isomer
o ID
2-hexanone
C-H., , isomer
0 ID
ri-octane
C_H , isomer
C-H isomer
dimethylcyclohexene isomer
dimethylheptane isomer
CflH isomer
C0H10 isomer
o 1Z
CqH.. - isomer
ethylbenzene
propylcyclopentane isomer
C9H20 isomer
£-xylene
dimethylthiophene isomer
3-heptanone
2-heptanone
2, 3-dimethylthiophene
styrene
nonene isomer
ppm
NQ
trace
25+10
NQ
32+7
75+7
1400+1105
76+21
210+38
39+23
115+72
256+121
36+20
77+31
33+11
trace
115+62
1132+237
321+92
445+85
191+46
62+31
299+49
10+12
777+400
trace
39+11
75+25
trace
27+12
26+10
22+12
660+230
48+32
trace
1910+70
20+5
5+2
10+5
50+10
2200+50
440+200
Chroma to-
graphic
Peak No.
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
(continued)
364
Elution
Temp.
157
159
160
160
161
163
164
165
167
168
169
170
171
171
172
173
173
174
175
176
178
179
180
181
182
183
183
184
185
185
186
186
187
188
188
189
190
191
191
Compound
o-xylene
_n-nonane
C-H..Q isomer
C_H , isomer
CgH.. Q isomer
CgH.... isomer
isopropylbenzene
dimethylcycloheptane isomer
2,6-dimethyloctane
C9H18 + C10H20 isomer
4-n-propylheptane
C10H20 lsomer
n-propylbenzene
benzaldehyde
m-ethyltoluene + tri-
methylcyclohexane isomer
£-ethyltoluene
1, 3 , 5-triraethylbenzene
trimethylcyclohexane +
C- (-.H-^ isomer
cyanobenzene + CqHin
isomer + octanone isomer
o-e thy 1 toluene
C10H20 ls°mer
methyl styrene or
C9H10 lsomer
1,2, 4-trimethylbenzene and
n-decane
°9H20 lsomer
CgH,g isomer
C-H2_ isomer
2,3, 4-trimethylthiophene
t-butyl thiophene or
C,-alkyl thiophene isomer
o-cymene
4-methyldecane
C,-alkyl benzene isomer
1,2, 3-trime thy Ibenzene
C H isomer
C11H20 lsomer
C,-alkyl benzene isomer
indan
C,-alkyl benzene + C^H^^
isomer
indene
C -alkyl benzene isomer
ppm
1300+120
1400+150
220+100
50+10
52+11
trace
22+12
45+15
421+100
532+30
trace
270+105
52+10
40+5
1920+330
710+340
110+70
' 145+80
NQ
2600+200
100+20
1600+180
1910+190
50+10
50+10
trace
420+220
30+10
35+10
trace
2100+910
320+110
1200+710
3200+1100
120+60
trace
1400+100
-------
Table C38 (cont'd)
Chromato-
graphic
Peak No.
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
Elution
Temp.
192
192
193
193
194
195
196
197
198
199
200
201
202
203
204
204
205
206
206
208
209
210
210
211
211
212
213
214
214
215
216
217
218-20
220
221
222
223
224
225
Compound
C -alkyl benzene isomer
n-butylbenzene
C,-alkyl thiophene isomer
C11H24 lsomer
C H isomer
methylpropylbenzene isomer
C,-alkyl benzene isomer
C, -alkyl benzene + methyl
indan isomer
undecene
methyl indan + C^-alkyl
n-undecane
C,_-alkyl benzene isomer
2-methylbenzof uran
Cj.-alkyl benzene isomer
C,.-alkyl benzene isomer
C12H24 isomer
C -alkyl benzene isomer
methylindan isomer
Cn,Hn, isomer
11 14
C -alkyl benzene isomer
methyl indane or CinH, „
isomer
C,_-alkyl benzene isomer
C, _H, , isomer
1Z 10
methyl indene isomer
n-pentylbenzene
C10H12 + Valkyl
benzene isomer
methyl indene isomer
methylbutylbenzene isomer
1,2,3, 4- te trahydro-
naphthalene
C -alkyl benzene isomer
dimethyl indan isomer
cyclododecane (tent. )
n-dodecane and
naphthalene
dimethylindan isomer
2,6-dimethyl ii-decane
C, -alkyl benzene isomer
o
dimethyl benzofuran isomer
C,.-alkyl benzene isomer
C12H16 isomer
ppm
3650+900
200+50
42+4
15+4
28+4
265+35
10+2
990+90
400+150
350+100
150+40
40+10
10+5
410+220
250+125
trace
trace
250+125
175+50
260+25
300+100
150+100
700+200
300+150
4200+110
1200+100
trace
2300+800
trace
trace
7600+580
420+120
800+300
400+200
720+80
50+5
Chromato- Elution
graphic Temp . Compound
Peak No. (°C)
124 226 dimethylbenzofuran +
C, -alkyl benzene isomer
125 227 cnHi4 + C5-alkyl benzene
126
isomer
C H-, isomer
127 228 cnHi2 isomer
128 229 C13H28 isomer
129 230 1-phenylhexane
130 230 cnHi4 isomer
131 231 3,3-dimethylindene
132 231 7-methyltridecane
133 232 6-methyl-ir2-dihydro-
naphthalene
134 233 C-.H,, isomer
1Z ID
135 234 1-tridecene
136 236 n-tridecane
137 237 C14H28 lsomer
138 238 C.-H,, isomer
1Z ID
139 239 B-methylnaphthalene
140 240 C,_H, , isomer
141 isothe
142
143
144
145
146
147
148
Li 10
rmal a-methylnaphthalene
C15H32 isomer
C14H30 iSOmer
C14H30 isomer
2, 6,10-trimethyldodecane
C14H28 isomer
ii-tetradecane
C15H32 lsomer
ppm
55+25
220+100
120+50
100+20
140+100
500+200
200+200
800+250
910+760
trace
110+20
30+10
110+60
trace
150+20
4200+1100
220+60
3200+1300
300+20
50+25
trace
110+50
60+10
1100+500
trace
365
-------
Table C39. VOLATILE ORGANICS IN PRODUCT WATER #3 (-11L) DURING
WELL 5-6 IN SITU COAL GASIFICATION (LERC)
Chroma to-
graphic
Peak No.
4
5
6
7
8
9
9A
9C
9D
10
11
12
13
14
15
16
17
18
19
19A
20
21
21A
22
23
25
26
27
28
29
30
30A
31
32
34
35
36
37
38
39
40
43
44
45
46
47
Elution
Temp.
(°C)
42
43
44
60-64
64-67
71-73
72-76
72-76
72-76
76-76
77
80
81-85
86
87
90
96-97
97
98-99
98-100
102
105
104-107
111
112
116
117
118
119
121
122
122-124
125
126
128
132
135
137
140
141
142
145
146
148
150
151
Compound
acetaldehyde
acetone
methyl formate
n-butane
ethylamine
carbon disulfide
cyclopentadiene
ethyl nitrate (tent.)
C HR isomer
nitroethane
propane nitrile
unknown
methyl ethyl ketone
unknown (m/e 83)
C.Hg isomer
perfluorotoluene (eS)
methyl isopropyl ketone
benzene
thiophene
unknown (m/e 75)
methyl n-propyl ketone
diethyl ketone
2-pentanone
unknown
unknown
N-methylpyrrole
acetyl acetone
pyrrole
unknown
n-pentane nitrile
toluene
methylthiophene
ethyl n-propyl ketone
methyl sec-butyl ketone
cyclopentanone
tetrahydro thiophene
pyridine
2-methylpyrrole
methyl cyclopentanone
methylpyridine isomer
C H20 isomer
ethylbenzene
methylpyridine isomer
p_-xylene
2,4-dimethylthiophene
methylpyridine isomer
ppb
NQ
NQ
NQ
NQ
trace
NQ
10+5
445+40
NQ
600+12
NQ
50+0
600+5
620+100
NQ
125+50
40+10
100+0
NQ
NQ
1+0
10+5
210+10
NQ
55+10
450+40
55+10
30+8
5+2
30+10
15+5
2420+110
24+2
100+15
120+1
18+7
220+30
trace
500+50
50+5
trace
Chromato-
graphic
Peak No.
48
49
49A
50
50A
51
52
53
54
54A
55
56
56A
57
58
59
61
62
64
65
66
66A
67
67A
67B
68
68A
69
70
71
72
72A
73
74
75
76
77
78
79
80
81
(continued)
366
Elution
Temp.
(°C)
152
154
153-154
155
155-156
157
158
159-161
161-162
162
163-164
166
166
168
169
169
172
173
175-176
176-177
177
176-178
180-181
180-181
180-181
183
182-184
185
186
188
191
189-192
193-195
193-196
193-196
199
200
204
206
208
209
Compound
s tyrene
1,4-dimethylbenzene
aniline or methylpyridine
isomer
cyclohexanone
2,3 -dimethylthiophene
2 , 5-dimethy Ipy rrole
dimethylpyridine isomer,
methylaniline
M+/e 105?
ethylidene cyclopentane
2-pyridone
C-,H, .0 isomer
7 14
C?-alkyl pyridine or
methylaniline
C,-alkyl furan
C«-alkyl benzene
C,-alkyl benzene
2-acetylthiophene (tent . )
benzonitrile
£-ethyltoluene
aniline
C-j-alkyl benzene
benzofuran
methylpyridine isomer
C2-alkyl pyridine
C,-alkyl thiophene
methylacetophenone or
dime thy le thy Ibenzene
C,-alkyl benzene
p_-methoxy aniline
unknown
indane or o-raethylstyrene
indene
phenol
acetophenone
£-cresol or nj-cresol
C....H-- isomer
C,-alkyl benzene
2-methylbenzofuran
C2-alkyl phenol
p_-cresol
n-butylamine?
methylindene
C2~alkyl styrene or methyl-
indane
ppb
120+15
trace
10+5
trace
14+10
7+2
450+30
SQ
5+4
40+10
240+100
20+10
5+1
180+20
60+7
38+2
40+5
70+2Q
130+20
270+30
100+20
50+20
trace
15+0
9+2
15±5
NQ
340+40
265+45
NQ
130+35
NQ
60+5
20+11
28+2
NQ
-NQ
NQ
120+15
-------
Table C39 (cont'd)
Chromato-
graphic
Peak No.
83
84
86
86A
87
88
89
90
91
Elutlon
Temp.
(°C)
211
214
217
216-217
218
220
237
238
Compound
C.-alkyl phenol
C -alkyl phenol
naphthalene
benzothiophene
C, -alkyl phenol
C--alkyl benzimidazole
C -alkyl anisole
methylnaphthalene
methylnaphthalene
ppb
NQ
NQ
610+20
110+30
NQ
trace
trace
170+10
420+15
Chromato- Elution
graphic Temp. Compound ppb
Peak No. (°C)
367
-------
Table C40. VOLATILE ORGANICS IN PRODUCED TAR (-12T) FROM
WELL 5-6 IN SITU COAL GASIFICATION
Chromato-
graphic
Peak No.
1
2
3
4
5
6
6A
7
8
9
10
10A
10B
11
12
12A
13
13A
14
15
ISA
16
16A
16B
17
18
19
20
21
22
22A
23
24
25
26
26A
27
28
28A
29
30
30A
31
32
33
Elution
Temp .
59
64
65
67
68
75
79
83
85
86
86
88
91
92
95
98
99
100
103
107
108
110
111
112
114
118
120
123
125
127
128
129
131
132
133
134
136
137
138
141
142
142
143
145
146
Compound
acetaldehyde (tent.)
isopentane
C H isomer
propanal
acetone
cyclopentene
2-methylpentane
1-hexene
hexafluorobenzene (eS)
n-hexane
3-hexene
methyl ethyl ketone
C^HT n isomer
o Iz
perfluorotoluene (eS)
cyclohexadiene isomer
methylcyclopentene isomer
benzene
thiophene
methyl isopropyl ketone
2-pentanone
3-pentanone
n-heptane
C-.HT . isomer
7 14
C^H _ isomer
C H isomer
me thy Icyclohexane
4-methyl-2-pentanone
2-me thy 1- 3-pentanone
C-^H.. „ isomer
toluene
2-me thy 1 thiophene
3-methylthiophene
3-hexanone
2-hexanone
C^-alkyl cyclopentane
isomer
C H isomer
o ID
il-octane
CQH-. - isomer
o lo
dimethy Icyclohexane isomer
3-octyne or CgH , isomer
CgH_.. isomer
1 , 2-dimethy Icyclohexane
2-methyloctane
CgH, , isomer
l-methyl-3-ethylcyclopentane
ppm
trace
trace
trace
trace
40+20
25+5
trace
trace
40+10
42+15
80+41
20+11
12+5
trace
600+76
60+25
104+32
110+61
44+27
240+100
35+21
44+11
50+33
35+6
64+12
30+15
102+51
1000+335
300+200
420+171
200+127
240+120
trace
50+25
820+411
144+100
80+10
44+11
trace
32+7
140+47
34+13
92+18
(cont:
Chromato-
graphic
Peak No.
33A
34
34A
34B
35
36
37
38
39
40
40A
41
42
43
43A
43B
44
45
46
46A
47
48
49
50
51
51A
52
53
54
55
55A
56
57
58
59
59A
60
61
61A
62
63
63A
nued)
Elution
Temp.
147
148
149
149
150
153
154
155
157
158
158
159
160
162
163
163
164
165
165
166
167
169
170
171
172
172
173
174
175
176
177
178
180
182
185
186
187
191
191
192
193
194
Compound
trimethy Icyclohexane isomer
1,3, 5-trimethy Icyclohexane
C-H-_ isomer
C H isomer
ethy Ibenzene
p_-xylene
2,5-dimethylthiophene
C-H-Q isomer
2 , 3-dimethylthiophene
cyclooctatetraene
C-tL- isomer
o-xylene
n-nonane
C H „ isomer
C H , isomer
C10H20 1S°mer
C9Hlg isomer
isopropy Ibenzene
CI.HIQ isomer
C H isomer
3-methylnonane
isopropylcyclohexane and
C10H18 isomer
2,3-dimethyloctane
C10H20 ismaer
is-propylbenzene
G^^H-- isomer
m-ethyltoluene and C H „
isomer
p_-e thy 1 toluene
2-isopropylthiophene
C10H20 lsomer
C10H18 1S°mer
o-ethyltoluene
a-methylstyrene and 1-decene
n-decane and 1,2,4-trimethyl-
benzene
2,3, 4-trimethy Ithiophene
o-cymene
1,2, 3-trimethy Ibenzene
indan
diethy Ibenzene isomer
indene and p_-propyltoluene
£-diethylbenzene and n-butyl-
benzene
ter-butylthiophene isomer
ppm
34+17
160+39
20+10
trace
540+62
1800+67
20+10
51+10
48+11
1400+49
400+100
1200+125
1200+150
220+110
42+7
20+2
55+9
20+10
40+30
10+5
360+115
520+200
trace
180+85
260+103
40+10
11+10
1600+211
620+349
200+100
140+75
100+50
2800+280
1400+175
1800+175
400+210
30+15
400+110
3000+1000
1800+876
1500+170
3800+850
200+55
368
-------
Table C40 (cont'd)
Chromato-
graphic
Peak No.
64
65
65A
66
67
68
69
70
71
72
72A
73
74
74A
75
76
77
78
79
80
81
82
83
84
85
86
87
88
88A
89
89A
90
90A
91
91A
92
92A
Elution
Temp.
195
196
196
197
198
199
201
202
203
204
205
206
207
208
209
210
211
212
213
214
216
217
219
220
221
222
223
225
225
226
226
227
227
228
228
229
229
Compound
C11H24 isomer
^-propyl toluene
C11H20 + C11H22 lsomers
dimethylethylbenzene isomer
dimethylethylbenzene isomer
C.-.R~~ isomer and 2-methyl-
indane
1-methylindane
ri-undecane
C -alkyl benzene isomer
methylbenzof uran isomer
C, -alkyl benzene +
C. -alkyl benzene isomers
tetramethylbenzene isomer
C^-alkyl benzene + C10H12
isoraer
C,,H isomer
11 24
C5-alkyl benzene + C,-alkyl
benzene isomer
dimethylstyrene isomer
C. ^H-, + C --alkyl benzene
isomer
n-pentylbenzene and C H ,
isomer
2-methylindene and tetra -
mathylbenzene
C.-alkyl benzene isomers
C^-alkyl benzene isomer
C,_-alkyl benzene isomer
decanone isomer
1-dodecene
n-dodecane and naphthalene
C,,H, , isomer
11 14
C, ,H, , isomer
11 14
4 , 7-dimethylbenzof uran
C,-alkyl benzene isomer
C11H14 isomer
C H Isomer
C, -alkyl benzene isomer
6
C. ,H_, isomer
13 26
methylindanone isomer (tent.)
dimethylindan and Cg-alkyl
benzene isomers
C7-alkyl benzene isomer
C, -alkyl benzene + C, -alkyl
cyclohexane isomers (tent.
trimethylindan isomer
ppm
2200+200
800+300
40+5
20+2
30+10
1100+100
1400+410
400+200
300+100
156+39
50+25
1400+230
800+300
360+210
400+200
2200+500
400+200
800+300
5800+700
2400+900
1800+600
80+20
200+100
7400+585
600+100
200+100
400+300
800+400
60+35
50+10
60+50
140+55
200+175
trace
600+300
1200+600
600+75
140+50
Chromato- Elution
graphic Temp. Compound
Peak No. (°C)
93 230
94 231
95 232
96 233
97 234
97A 234
98 235
99 237
100 238
101 239
102 240
103
104 isothermal
105
106
107
108
109
10 9 A
110
111
111A
112
113
113A
114
114A
115
116
117
118
119
119A
120
121
122
123
125
126
127
128 >
C13H20 ls°mer
1-phenylhexane
3, 3-dimethylindene or
C_ .. H.. _ isomer
C14H30 isomer
C11H12 + C11H14 isomers
Cn -H- ,. isomer
Lf. ib
tridecene isomer
n-tridecane
C_-alkyl indane isomer
C H isomer
LL lb
S-methy Inaphthalene
C13H16 isomer
a-methy Inaphthalene
C,_H, , isomer
I/ ID
C H isomer and diisopropyl-
benzene
C14H30 isomer
n-heptylbenzene
C H isomer
C12H14 lsomer
1-tetradecene
biphenyl and n-tetradecane
C -H_- isomer
C15H30 isomer
2-ethy Inaphthalene
C1 _H1 ,, isomer
dime thy Inaphthalene
isomer
1-ethy Inaphthalene
dime thy Inaphthalene
isomer
dime thy Inaphthalene
isomer
C,,H,. isomer
16 34
dimethy Inaphthalene
isomer
biphenylene
C15H30 lsomer
n-pentadecane
acenaphthene
isopropy Inaphthalene isomer
C -alkyl naphthalene isomer
dibenzofuran
C.-alkyl naphthalene isomer
C -alkyl naphthalene isomer
n-hexadecane
ppm
700+157
200+28
800+335
900+700
200+100
112+57
30+15
114+70
900+350
200+150
3600+1000
400+95
3000+1100
200+50
400+77
50+25
540+135
420+100
trace
420+120
1000+400
trace
trace
300+122
68+58
600+155
560+261
1400+795
2200+50
NQ
NQ
100+50
NQ
NQ
NQ
NQ
NQ
NQ
NQ
NQ
NQ
369
-------
Table C41. VOLATILE ORGANICS IN PRODUCED WATER (-13L) FROM
WELL 5-6 IN SITU COAL GASIFICATION (LERC, ERDA)
Chromato-
graphic
Peak No.
1
2
2A
3
6
7
9
11
13
15
16
16A
17
18
ISA
19
20
21
22
23
24
25
26
27
28
29
31
32
33
34
35
36
36A
37
38
39
40A
40
41
42
43
44
Elution
Temp
(°C)
42
45
48
49
61-3
61-4
70
77
82
88
92
96
98
100
101
104
106
112
115
116
118
121
123
124
125
127
133
135
138
140
141
143
144
146
148
149
151
152
153
155
157
158
Compound
co2
carbonyl sulfide
1-butene
n-butane
acetone
acetonitrile
carbon disulfide
propionitrile
methyl ethyl ketone
isobutyronitrile
perfluorotoluene (eS)
methyl isopropyl ketone
benzene
n-butyronitrile
thiophene
2-pentanone
3-pentanone
a -methylbutyronitrile
N-methylpyrrole
4-methyl-2-pentanone
pyrrole
n-pentylnitrile
toluene + methylthiophene
4- pyridine
3-hexanone
cyclopentanone
n-octane
sulfur compound (?)
3-methylpyrrole
2-methylcyclopentanone
+ 2-methylpyrrole
methylpyridine isomer
C9H20 lsomer
ethylbenzene
C0Hn , isomer
8 16
£-xylene
2 , 4-dimethylthiophene
2-heptanone
2 , 3-d±methylthiophene
styrene + CnH 0 isomer
y 15
o-xylene
n-nonane 4-
dimethylpyridine isomer
dimethylpyridine +
CgH, r, isomers
dimethylpyrrole isomer
ppb
NQ
NQ
NQ
NQ
1243+0
620±60
NQ
382±47
645±33
53+16
55±5
607±6
267±13
620±6
124±111
55±0
32+9
2±0
148±80
208±21
53±0
556±200
2222+4
27±8
32+9
1±0
NQ
46+4
101±10
24±2
12Q±11
17±7
222±27
4±0.3
561+60
15+0
5±0
52+3
118+11
472±37
39+.12
74+15
417±7
7+1
Chroma to-
graphic
Peak No.
45
46
47
48
49A
49
50
51
52
52A
53
53A
54
56
57A
57
58
58A
59
60
61
61A
62
63
63A
64
65
66
67
68A
69
70
71
71
72
73A
73
(continued)
370
Elution
Temp .
(°c)
160
160
161
163
165
167
168
169
170
170
171
172
172
173
175
177
178
180
182
184
186
187
189
190
181
192
193
193
195
197
198
201
203
205
206
207
208
209
210
Compound
isopropylbenzene
C10H20 ls°mer
C10H18 ls°mer
C,-alkyl cyclohexane
isomer
C,«H?,j isomer
C1QH20 isomer
n-pr opy Ibenz ene
GI nH2 + trimethylcyclohexane
isomers
m-ethyl toluene
£-ethyl toluene
2-isopropyl thiophene
C10H20 + C10H22 isomers
trimethylpyridine isomer
cyanobenzene
o-ethyltoluene
C10H20 ^somer
cc-methylstyrene + cigH2g
1,2 ,4-trimethylbenzene +
n-decane + benzofuran
C10H20 +
trimethylthiophene isomers
C, -alkyl benzene isomer
C, -alkyl benzene isomer
C, -alkyl pyridine isomer
indan
phenol
indene
C,-alkyl benzene isomer
C, -alkyl benzene isomer
^11^74 is°mer
C, -alkyl benzene isomer
C, -alkyl benzene isomer
+ o-cresol
C .jH-j + C, -alkyl benzene
isomers
C--alkyl benzene isomer
methylbenzofuran isomer
p_-cresol
C. alkyl benzene isomer
dimethylindan isomer
C, -alkyl benzene
isomer
C_-alkyl benzene isomer
methylindan isomer
ppb
11±0
209±7
5+0
57+2
27±8
11+5
28±3
96±14
184±16
61±7
38+16
21±0.3
40±2
44±5
67±17
30±2
349±42
267±27
111±16
11+0.6
15±0
6±2
9+3
15+3
334+33
NQ
272+32
71+20
20 ±7
57±5
22ill
NQ
95±32
139±21
28±4
NQ
12=:6
47±3
69+13
12±1
126+15
-------
Table C41 (cont'd)
Chromato- Elution
graphic Temp. Compound ppb
Peak No. (°C)
73B 211 C12H26 + methylindene isomers
74A 212 C5-alkyl benzene isomer
74 212 C1QH12 + C4-alkyl benzene isomers
75 213 methylindene isomer
76 215 dimethylphenol + Cj-alkyl
benzene isomers
76A 216 C_-alkyl benzene isomer
217 dimethylindan isomer
77 218 1-dodecene
78 220 n-dodecane
79 221 naphthalene
79A 222 dimethylindan + Cfi-alkyl
80
81
82
83
84
85
86
benzene isomers
benzothiophene
224 dimethylbenzofuran isomer
225 C, ^HT , + C,-alkyl benzene isomers
1Z ID 0
227 C,.Hn/ isomer
11 14
228 dimethylindene + C,-alkyl
benzene isomers
229 trimethylindan isomer
230 C13H28 isomer
231 C-.-.H.j, + C,-alkyl benzene isomers
232 dimethylindene + C ,H - isomers
87 233 dimethylindan + dimethyl-
indene isomers
88 235 1-tridecene + trimethyl-
indan isomer
89 237 n-tridecane
90 238 trimethylindan isomer
92 240 a-methylnaphthalene
93 isothermal 8-methylnaphthalene
94
95
96
97
98
99
99A
100
101
102
103
104
105
106 ,
2-isopropylbenzimidazole
(tent.)
C, ,H, „ isomer
1 J lo
C14H30 iSOmer
n-heptylbenzene
C, cH^ isomer
1-tetradecene
b iphenyl
n-tetradecane
C. ,H. „ isomer
U lo
ethylnaphthalene isomer
dimethylnaphthalene isomer
dimethylnaphthalene isomer
dimethylnaphthalene isomer
, C, ,H-, iaomer
10 L j
184±164
12+1
63+15
196±31
NQ
T
T
13±5
86±8
640+32
162±15
42+5
118+6
148±22
56±4
11±0
17±7
22+0
NQ
NQ
50±10
128+11
12+0.7
94+7
222+11
111+15
162+16
345±7
25±2
11±0
19±4
26±5
21+6
47±4
114+12
129+14
16±7
39±9
195+17
100+12
135±52
26+11
hromato- Elution
graphic Temp . Compound
eak No. (°C)
107 isothermal dimethylnaphthalene isomer
108 ethylnaphthalene isomer
109 n-pentadecane
111 acenaphthene
112 isopropylnaphthalene isomer
113 C18H28 isomer (tent-)
114 C14H20 isomer
115 trimethylnaphthalene isomer
117 C,.-alkyl naphthalene isomer
119 C,.~alkyl naphthalene isomer
119A methyl acenaphthene
isomer
120 ' C_-alkyl naphthalene isomer
ppb
47±14
69±21
T
612±9
T
31±5
7+1
5+1
7±0
15±3
T
371
-------
s > ^ 9 i; i s
2? ?,2 3 P ** 3
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•H A
m j
01 J
d
M "
1
+J 1
C 2 0 Q 0 0 -I
S J
g 1
O J
ff J
M ^
_i 10000-1
3 1
r [ _j
1
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> J 1
- H /
rt „ "! /
Arf
ill!
1
1
;
I
: i
1
,
I-
^
,H ° ,•.••.-•;-!• •!-r-'l —>
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iii i : -
r i i,
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' • i ; i i
ii KI iii
: i; : "i
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nn^iiiiiiKtiiirjinilim.in^iif
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20
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i
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1 I
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3
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j
3 14
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V
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4200
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'i ': i i
1' il
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1 ?u
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i i si
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VJ I ]l \8 73 I
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HSSO
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iVi
f
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t,V
1 f T1 1 '
v^-k.-^1 ^L^^j!^^ '? ^!2,AjL^-w____
'. —^-' .
4300 4350 *r H 0 C 4450
Mass Spectrum No.
Figure C15
. Profile
of volatile
organics in product water sample (-14L) in situ coal
gasification (LERC, ERDA).
-------
Table C42. VOLATILE ORGANICS IN PRODUCED WATER (-14L) FROM
WELL 7-8 IN SITU COAL GASIFICATION (LERC, ERDA)
Chromato-
graphic
Peak No.
1
3
4
5
6
6A
6B
7
8
8A
8B
11
13
13A
14
15
16
17
18
19
19A
20
22
23
24
25
25A
26
27
28
28A
29
30
31
32
33
34
35
36
36A
37
37A
38
39
40
Elution
Temp.
41
43
46
47
50
51
52
53
56
47
58
61
64
66
67
68
71
73
73
74
77
79
80
81
84
85
86
87
88
89
90
91
93
96
98
99
101
101
102
103
104
105
106
107
108
Compound
co2
1-butene
acetaldehyde
acetone + ethane nitrile
cs2
C H N isomer (tent.)
J^-butanol
propane nitrile
methyl ethyl ketone
hexaf luorobenzene (ei)
ppb
0.73+0
NQ
6456+5800
NQ
NQ
1482+100
5578+2400
C.Hg isomer + isobutyronitrile 127+58
perf luorotoluene (eS)
benzene + 3-methyl-2-butanone
thiophene
jn-butyronitrile (tent.)
2-pentanone
3-pentanone
C,H- -0 isomer
0 I/
a-methylbutyronitrile
C,Hn-0 isomer
0 LL
N methylpyrrole
4-me thy 1- 2-pentanone
2-methyl- 3-pentanone
pyrrole
n-pentane nitrile
toluene
2-methyl thiophene
3-me thy 1 thiophene
3-hexanone + cyclopentanone
2-hexanone
sulfur compound
methylcyclopentanone
n-octane
2-methylpyridine
3-methylpyrrole + 2-methyl-
cyc lopentanone
2-methylpyrrole
C_H, .0 isomer
7 14
methylpyridine isomer
4-heptanone (C?H ,0 isomer)
dimethylpyrrole isomer
e thy Ibenzene
dimethylthiophene isomer
£-xylene
dimethylthiophene isomer
3-heptanone
3259+125
118+1
242+39
927+9
525+215
31+15
98+67
25+5
17+3
27+0
235+76
446+121
110+0
235+59
65+0
72+21
185+28
51+5
NQ
100+38
7+0.6
143+100
109+64
NQ
16+24
37+7
T
17+1
742+8
T
232+1
71+33
9+3
Chromato-
graphic
Peak No.
41
42
43
44
45
46
47
48
49
50
51
51A
52
52A
53
54
55
56
57
58
59
60
63
63A
64
65
66
67
68
68A
69
69A
70
71
71A
7 IB
72
73
74
75
76
(continued)
373
Elution
Temp.
109
109
110
112
114
115
117
118
119
120
122
123
123
124
125
125
126
127
128
129
131
132
136
137
139
140
142
143
144
145
146
147
147
148
149
150
150
151
152
154
155
Compound
2-heptanone + C-H.-O isomer
styrene + dimethylpyridine
isomer
£-xylene
dimethylpyridine + dimethyl-
thiophene isomers
dimethylpyrrole isomer
ethylpyridine isomer
isopropy Ibenzene
CgH140 isomer
1-ethylpyrrole
2-methylcyclohexanone
benzaldehyde
n-propy Ibenzene
C-H-N isomer
C.H.,0 isomer
m-ethyl toluene
C.,-alkylpyridine isomer
cyanobenzene
C10H22 lsomer
o-ethyltoluene
2-octanone
benzofuran
1,2, 4-trimethy Ibenzene
1,2, 3-trimethy Ibenzene
C,-alkyl benzene isomer
indan
indene
propyltoluene isomer
acetophenone
C_H.,0 isomer
y 10
C,-alkyl benzene isomer
C11H24 is°mer
C,-alkyl benzene isomer
C,-alkyl benzene + methylindan
isomers
dimethylstyrene or methylindan
isomers
C,-alkyl benzene isomer
vinylbenzaldehyde or methyl-
benzofuran isomer
dimethylphenol isomer
2-methylbenzofuran
ii-undecane
n-buty Ibenzene
m-propyl toluene
ppb
151+62
162+22
224+7
132+50
T
38+30
6+5
T
31+0
5+3
2+1
T
10+3
NQ
370+33
NQ
39+4
197+39
29+3
T
164+41
T
137+55
64+33
455+45
2215+239
5+3
10+3
NQ
6+2
T
T
87+35
5+1
T
40+37
NQ
28+3
93+13
21+9
9+7
-------
Table C42 (cont'd)
Chromato-
graphic
Peak No.
77
77A
78'
79
79A
80
80A
81
81A
82A
83
84
85
86
87
88
89
90
91
92
93
94
95A
96
97
103
108
Elution
Temp.
156
157
158
158
159
160
160
161
161
164
166
168
169
171
172
177
178
182
184
186
187
188
198
201
215
229
240
Compound
C.-alkyl benzene isomer
C,-alkyl benzene isomer
methylindan isomer
C,.-alkyl benzene isomer
methylindene isomer
methylindan isomer
C.-alkyl benzene isomer
methylindene + C -alkyl
benzene isomers
n-pentylbenzene
C--alkyl benzene isomer
naphthalene
dimethylindan isomer
n-dodecane
4,7-dimethylbenzofuran
C.. ^HOQ isomer
dimethylindan isomer
C -alkyl benzene isomer
C, -alkyl benzene + C, ,Hn/,
6 14 30
isomers
B-methylnaphthalene
n-tridecane
a-methylnaphthalene
C, -alkyl indan isomer
C14H30 isomer
n- tetradecane
n-pentadecane
ii-hexadecane
n-hep tadecane
ppb
T
T
T
T
T
20+9
10+7
33+9
154+17
31+17
96+12
T
T
3+0.7
28+11
42+10
8+4
4+3
T
25+3
T
NQ
NQ
Chromato- Elution
graphic Temp. Compound ppb
Peak No. (°C)
374
-------
Table C43. VOLATILE ORGANICS IN PRODUCED TAR (-15T) FROM WELL 7-
IN SITU COAL GASIFICATION (LERC, ERDA)
Chroma co-
graphic
Peak Mo.
3
4
6
7
10
11
13
14
15
17
19
20
21
22
23
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
54
55
56
Elution
Temp.
(°C)
40
40
43
43
48
49
53
57
57
60
64
64
64
68
71
73
73
74
76
76
77
77
78
78
79
80
80
82
82
82
84
86
87
89
89
90
91
92
93
93
94
95
96
99
100
100
Compound
°2
co2
C H isomer
C.H,,, Isomer
4 10
C-H.. „ isomer
acetone
C.H isomer
perf luorobenzene (eS)
C,H, . isomer
6 14
perfluorotoluene (eS)
benzene
cyclohexane
thiophene
C-H,, isomer
7 16
C^H. , isomer
C-H isomer
C_H, , isomer
/ lb
C-H,, isomer
7 14
C H isomer
C^H isomer
diisopropanolamine (tent.)
C_H, . isomer
7 14
C_H- , isomer
/ lb
C_H, . isomer
8 14
C-.H. . isomer
7 14
C-H isomer
C.,H, isomer
/ lb
C.H, . isomer
8 14
C_H, isomer
/ J-b
C-,H12 isomer
toluene isomer
methylthiophene isomer
C.H..- isomer
o lo
C_H, , isomer
0 lo
CgH. , isomer
C-H., isomer
0 ID
C8HU isomer
CQH isomer
0 lo
C H , isomer
C..H,, isomer
o i6
C-H. , isomer
8 14
C.H,, isomer
o ID
C0H, . isomer
8 14
C9H20 l30mer
C-H, , isomer
o lo
C8HU isomer
ppm
NQ
NQ
15 + 5
284 + 212
T
50 + 20
2327 + 1600
4.6 + 0
27 + 3
T
9 + 3
T
T
31 + 13
2 + 1
T
NQ
T
5 + 1
T
6 + 3.2
T
T
T
7.4 + 3.4
T
2021 + 660
46 + 6
23 + 10
3 + 1.2
T
15 + 5
T
8 + 4
90 + 22
11 + 2
4 + 1
T
T
15.2+6
17+8
6 + 2
Chromato-
graphic
Peak No.
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
101
102
103
(continued)
Elution
Temp.
(°C)
101
102
104
104
106
106
107
107
107
108
110
110
110
111
112
112
113
114
114
114
116
116
117
118
118
120
120
120
121
121
121
122
122
122
123
125
125
125
125
127
128
128
128
129
130
132
Compound
C9H18 isomer
C.H.. - isomer
ethylbenzene
C9H18 isomer
C-H , isomer
C9H20 lsomer
p_- or m-xy lene
CnH £ isomer "^
y 16 I
CgHig isomer V
C9H20 isomer-J
C-H.. f isomer
0 J-D
C9Hlg isomer
styrene
o-xylene
C9H16 isomer "\
CgHlg isomer >
CgHig isomer _}
C9H2Q isomer
CgH18 isomer ^
C9H16 isomer >
C9Hlg isomer J
C10H20 lsomer
C,-alkyl benzene isomer
C10H18 lsolner
C.-H isomer
C,-alkyl benzene isomer
C-H.. , isomer
y ID
CgHig isomer
C10H18 lsomer>|
C10H20 isomer L
C10H22 isomer-^
C1QH22 isomer >
C1QH18 isomer \
C10H20 is°mer J
C10H22 lsomer
C,.-alkyl benzene isomer
C10H20 ls°mer
CgH18 isomer
C_-alkyl benzene isomer
C10H20 is0nler
C10H22 isomer
C10H20 is°mer
C,-alkyl benzene isomer
C10H18 is°mer
C10H20 is°mer
methylstyrene isomer
PPm
T
T
267 + 26
T
30 + 15
162 + 60
4848 + 500
3000 + 600
42 + 10
10 + 4
177 + 18
282 + 202
2100 + 440
30 + 15
800 + 300
13 + 3
14 + 6
T
T
3 + 1.6
3.4 + 2.2
T
40 + 10
190 + 80
60 + 30
NQ
22 + 10
24 + 12
1200 + 240
T
1000 + 440
120 + 43
42 + 12
10 + 5
T
T
375
-------
Table C43 (cont'd)
Chroma to-
graphic
Peak No.
104
105
106
107
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
Elution
Temp . Compound
(°C)
132
133
133
133
134
134
134
134
134
135
136
138
139
139
140
141
142
143
143
144
144
145
146
146
147
147
147
148
148
148
148
149
150
151
152
152
152
152
153
153
155
155
156
156
156
156
C10H20 isomeO
C10H18 is°melj
C10H20 isomer>|
C10H22 isomer \
C10H22 lsomerJ
C10H20 is°mer
C.-alkyl benzene isomer
C10H18 is°mer
C H isomer
C10H2Q isomer >
C, -alkyl benzene isomer }
C10H20 is°mer J
C11H24 isomer )
methylstyrene isomer?
C11H22 lsomer J
methylphenylacetylene
C.-alkyl benzene isomer
C..H22 isomer >
CnH20 isomer \
C11H22 isomer J
C, -alkyl chiophene isomer
C11H24 isomer ^
C.-alkyl benzene isomer)
CnH20 isomer J
C. .H0 . isomer
11 24
dimethylstyrene isomer
C. -,H-_ isomer
C,-alkyl benzene isomer
dimethylstyrene isomer
C11H20 isomer
C.-alkyl benzene
C H -benzene isomer
C11H2Q isomer >
C- -jH^- isomer \
C12H24 isomer -'
methylbenzof uran isomer
C_-alkyl benzene isomer"\
CUH22 isomer I
C11H24 isomer f
C11H22 isomeir J
C.-alkyl benzene isomer
C.-alkyl benzene isomer
C12H26 isomer ""]
C12H18 isomer I
C12H20 isomer /
C12H22 isomer J
ppm
1300 + 240
1380 + 260
420 + 200
624 + 170
T
T
1130 + 400
1100 + 300
119 + 118
380 + 280
500 + 200
12 + 6
40 + 15
40 + 15
T
22 + 5
21 + 6
T
53 + 20
T
T
1700 + 300
115 + 12
920 + 300
25 + '.
T
14 + 4
Chromato-
graphic
Peak No.
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
181
182
183
184
185
186
188
189
190
191
192
193
194
195
196
197
198
Elution
Temp . Compound
(°C)
156
156
156
158
159
159
160
160
160
161
161
161
162
162
163
163
163
163
164
164
165
166
166
168
168
168
168
168
168
171
171
171
171
171
172
172
172
173
173
173
174
175
175
175
176
176
C12H24 lsomer
C.-alkyl benzene isomer
C.-alkyl benzene isomer
C.-alkyl benzene isomer
C.-alkyl benzene isomer'N
C.-alkyl benzene isomer \
C H 2 isomer J
C.-alkyl benzene isomer
methylindene isomer
C.-alkyl benzene isomer
C.. •,*!.„ isomer
C.-alkyl benzene isomer
n-pentylbenzene
C.-alkyl benzene isomer
C.-alkyl benzene isomer *\
C12H22 isomer
C12H24 isomer I
C12H26 lsomer (
C.-alkyl benzene isomer
C-..H-, isomer
C H isomer
C^-alkyl benzene isomer |
C_-alkyl benzene isomer )
C.0H0,; isomer J
I/ Zo
naphthalene
C -alkyl benzene
C12H24 isomer
Cg-alkyl benzene isomer
dimethylindan isoraer
dimethylindene isomer
dimethylbenzofuran isomer
C12H26 isomer ~j
C12H24 isomer J
Cg-alkyl benzene isomer
C, ^H_^ isomer
trimethylindan isomer
C12H24 i30"161"^
C13H28 isomer /
C13H2g isomer J
Cg-alkyl benzene isomer
C2-alkyl dihydroindene isomer
C12H26 is0mer
C13H26 lsomer
Cg-alkyl benzene isomer
C, -alkyl benzene isomer
Cg-alkyl benzene isomer
ppm
T
T
T
62 +
620 + 280
137 + 14
T
10 + 2
T
52 + 51
T
30 + 5
T
1520 + 260
918 + 222
NQ
NQ
NQ
50 + 3.2
56 + 11
114 + 5
40 + 11
30 + 12
15 + 5
11 + 4
30 + 10
T
5 + 2
T
T
4 + 2
3 + 1
11 + 1
(continued)
376
-------
Table C43 (cont'd)
Chromato-
graphic
Peak No.
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
Elution
Temp . Compound
(°C)
176
176
178
179
179
180
181
182
183
184
185
185
186
187
187
187
188
189
192
192
193
194
196
198
199
201
203
206
210
212
217
222
223
224
224
225
227
228
231
235
238
240
240
C. ,H_, isomer
Ij 26
C12H22 ^somer
C^H, n -benzene isomer
6 11
C_-alkyl benzene isomer
C._H., isomer
U ib
dimethyldihydroindene isomer
C,-alkyl benzene isomer
C11H14 isomer
C13H28 ls°mer
C14H30 is°mer
g-methylnaphthalene
C. ,H-g isomer
C13H28 isomer
C, -H-, isomer
13 26
C^H, -benzene isoraer
b IJ.
C14H28 ls°mer
a-methylnaphthalene
C--alkyl benzene isomer
CUH26 isomer
C14H28 isomer
C, -H-, isomer
U /O
C14H26 isomer
phenylpyridine (tent.)
C _H,2 isomer
Cn.H-0 isomer
14 Z.O
C14H30 lsomer
0,,-alkyl naphthalene isomer
C_-alkyl naphthalene isomer
biphenylene
C--alkyl naphthalene isomer
C,-H-. isomer
12 24
C,-H-, isomer
I/ /Q
C12H24 lsomer
dibenzofuran
C12H26 isomer
1, 3-dihydro-4, 6-dimethyl-
thienothiophene ( tent . )
C_-alkyl naphthalene isomer
C13H28 isomer
C--alkyl naphthalene isomer
C.,H-g isomer
C13H26 isomer
C16H34 isomer
C14H30 is°mer
ppm
T
NQ
T
T
T
T
T
T
T
T
T
T
T
T
T
T
T
T
T
T
T
T
T
T
T
T
T
T
Chromato- Elution
graphic Temp . Compound ppm
Peak No. (°C)
377
-------
00
•H
cn
C
0)
o
fi
o
O
0)
Pi
1
1
1
1
i
V:i
' II!
'
H ii|
IU
u. | ... i |.I.T^I-^._, r .-i-r-f ir ii--.| -i-r i "i"
i
1
3-
H
\
\-
\
\t-
, i
U
i'
1 H
i ?
jii
!„
\£ ]..,.... .,) I' ..
^ v^"sJI._;J1\A^J"l'V>U V_JV ^-^_
Mass Spectrum No.
Figure C16. Proflie.of volatile organics in product water sample (-16L) during
well 7-8 in situ coal gasification (LERC, ERDA).
-------
Table C44. VOLATILE ORGANICS IN PRODUCED WATER (-16L) FROM WELL 7-8
IN SITU COAL GASIFICATION (LERC, ERDA)
Chromato-
graphic
Peak No.
1
2A
3
4
4A
4B
4C
5A
7
8
9
10
12
13
15
15B
16
17
18
19
20
21
22
22A
23
24
24A
25
26
26A
27
28
29
30
31
31A
32
33
33A
34
34A
35A
36
37
Elution
Temp.
(°C)
40
44
45
48
49
49
50
52
56
57
58
59
63
64
68
70
71
73
76
76
77
80
82
83
84
85
85
86
88
89
90
90
91
92
94
94
96
97
98
99
100
101
102
103
Compound
co2
1-butene + n-butane
acetaldehyde
acetone
dimethyl ether + dlethyl ether
acetonitrile + isopropanol
dimethyl sulfide
ter-butanol (tent.)
propionitrile
C,H, , isomer
methyl ethyl ketone
hexaf luorobenzene (eS)
methylcyclopentane (tent.)
perf luorotoluene (eS)
benzene + methyl, isopropyl
ketone
thiophene
2-pentanone + n-butyronitrile
3-pentanone
C,H., _0 isomer
0 LL
a-methylbutyronitrile
C,H, _0 isomer
b 1^
N-methylpyrrole
4-me thy 1- 2-pentanone
dimethyl disulfide
2-methyl-3-pentanone
pyrrole
3-methyl- 2-pentanone
n-pentylnitrile
toluene
2-methylthiophene
3-methylthiophene
cyclopentanone + 3-hexanone
2-hexanone
pyridine
thiacyclopentane
sulfur compound
n-octane
vinylthiophene isomer
acetoxybutene isomer (tent.)
2-methylpyridine
2-methy Icyc lopentanone
cyclohexanone
2-methy Ipyrrole
5-rae thy 1- 2-hexanone + C.H.-Oj
isomer (tent.)
ppb
NQ
T
2033 -1- 835
2545 + 1299
11 + 12
367 + 243
668 + 470
66 + 17
139 + 70
T
1391 + 434
T
2939 + 798
228 + 109
753 + 306
284 + 21
T
167 + 72
T
8 + 5
28 + 9
T
45 + 37
6661 + 237
12 + 3
424 + 209
563 + 171
170 + 37
193 + 40
141 + 42
64 + 30
106 + 70
29 + 4
NQ
7.6 + 1
T
NQ
72 + 39
73 + 24
65 + 11
124 + 4
T
Chromato-
graphic
Peak No.
38
39
40
40A
41
42
43
43A
44
45
46
46A
47
47A
48
48A
48B
49
49A
50
51
51A
52
53
54
55
56
56A
57
58
59
60
61
62A
63
63A
64
64A
65
65A
65B
(continued)
379
Elution
Temp . Compound
(°C)
104
106
107
108
109
109
110
110
111
112
113
114
114
115
116
116
118
119
119
120
122
123
124
125
125
126
127
128
129
130
131
132
133
136
138
138
140
141
142
143
143
3-methy Ipyrrole (tent.)
2, 4-dime thy Ipyrrole
ethylbenzene + ethylthiophene
isomer
dimethylthiophene isomer
m or jj-xylene
dimethylthiophene isomer
3-heptanone
3-methy Icyc lohexanone
2-heptanone
styrene
o-xylene
dimethylthiophene iaomer
dimethylpyridine isomer
SH18 isotner
n-nonane
2 , 5-dimethylpyrrole
isopropylthiophene isomer
isopropylbenzene
C9H18 + C10H22 isomer3
2,5-dimethyl-2-cyclopentenone
+ CnH. ,0 isomer
O 10
2-ethylpyridine + ethyl-
thiophene isomer
C10H20 lsoraer
methylheptanone isomer +
benzaldehyde
n-propylbenzene
m-ethyltoluene
£-ethyltoluene
cyanobenzene
C.,H0, isomer
11 24
phenol + 1,3,5-trimethyl-
benzene
trimethylthiophene isomer
2-octanone
benzofuran
o-ethyltoluene
n-decane
1,2, 4-tr imethylbenzene
C.-alkyl benzene isomer
indan
indene
cresol isomer
C,-alkyl benzene isomer
1,2,3-trimethylbenzene
ppb
83 + 9
22 + 2
157 + 17
58 + 57
255 + 26
8 + 1
1 + 0.5
134 + 17
23 + 3
175 + 26
351 + 239
72 + 16
106 + 39
33 + 0
5 + 0
21 + 2.6
T
5.6 + 1
T
T
T
T
9 + 2
5.6 + 3
66 + 33
46 + 24
57 + 24
27 + 3
NQ
8 + 2
130 + 24
287 + 31
T
6 + 2
12 + 6
13 + 3
153 + 64
296 + 37
NQ
66.8 + 17
62 + 24
-------
Table C44 (cont'd)
Chromato-
graphie
Peak No.
66
67
68
68A
68B
69
69A
69B
70
71
72
72A
73
73A
73B
73C
74
74A
75
75A
76
76A
76B
78
78A
79
79A
79B
80
81
82
82A
83
85
86
87
87A
87B
88
88A
89
89A
Elution
Temp . Compound
144
147
148
149
149
150
150
151
152
152
153
154
155
155
156
158
159
160
161
161
162
162
163
165
166
167
163
169
170
172
173
174
175
179
180
183
184
184
185
186
187
187
C.-alkyl benzene isomer
C10H20 lsomer
C.-alkyl benzene isomer
C H 2 isomer
C.-alkyl benzene isomer
C- nH, ? isomer
cresol isomer
methy Ibenzof uran + C.-alkyl
benzene isomers
dimethylphenol isomer
2-me thy Ibenzof uran
n-undecane
dimethylphenol isomer
C.-alkyl benzene isomer
C.-alkyl benzene isomer
ethylphenol isomer
dimethylphenol isomer
methylindan isomer
C4-alkyl benzene + Cj-alkyl
benzene isomers
methylindene isomer
methylindan isomer
methylindene isomer
dimethylphenol isomer
C.-alkyl benzene isomer
isopropylphenol isomer
ethylphenol isomer
naphthalene
2, 3-benzothiophene
dimethylindan isomer
n-dodecane
2, 6-dimethy Ibenzof uran
dimethylbenzof uran isomer
C^-alkyl phenol isomer
dimethylindan isomer
methyldihydronaphthalene
isomer
methyldihydronaphthalene
+ C2~alkylindan isomers
dimethylindan isomer
C.-alkyl phenol isomer
C.-alkyl indan isomer
B-methy Inaphthalene
C13H26 isomer
n-tridecane
C,-alkyl indan isomer
ppb
T
92 + 21
24 + 10
28 + 2
25 + 5
T
NQ
20 + 3
NQ
124 + 24
117 + 33
NQ
8 + 3
6 + 3
NQ
NQ
9 + 2
33 + 6
37.7+13
20 + 10
7 + 3
NQ
T
NQ
NQ
204 + 107
T
T
117 + 26
T
T
NQ
T
T
T
T
NQ
13 + 6
17 + 13
40 + 4
22 + 20
T
hromato—
graphic
Peak No.
89B
89C
90A
90B
90C
91
92
92A
93
93A
93B
93C
93D
93E
94
95
95A
96A
98
99
101
102
Elution
Temp. Compound
188
190
193
194
197
200
201
202
205
207
208
209
210
213
214
215
216
222
228
235
240
240
a-methy Inaphthalene
C.-alkyl phenol isomer
C,-alkyl benzene + C.-alkyl
6 J
phenol isomers
C.-alkyl phenol isomer
biphenyl
C14H28 iSOmer
ri-tetradecane
dimethylnaphthalene isomer
dimethylnaphthalene isomer
dimethylnaphthalene isomer
biphenylene
e thy Inaphthalene isomer
C0-alkyl benzene isomer
0
acenaphthene
C15H30 iSOmer
n-pentadecane
isopropy Inaphthalene isomer
isopropylnaphthalene isomer
n-hexadecane
C.-H,, isomer
I/ JO
n-heptadecane
C,gH isomer
ppb
4 + 2
NQ
NQ
NQ
T
3.3 + 2
9 + 5
0.66 + 0
7 + 3
T
T
0.33 + 0.33
T
4 + 3
17 + 7
16 + 10
T
T
42 + 23
3 + 2
T
T
380
-------
Table C45. VOLATILE ORGANICS IN PRODUCED TAR (-17T) FROM WELL 7-8
IN SITU COAL GASIFICATION (LERC, ERDA)
Chromato-
graphic
Peak No.
1
2A
2B
3A
3B
3C
3D
4
6
6A
6B
6C
6D
6E
6F
7
8
9A
10
10A
10B
IOC
11
11A
11B
11C
11D
12
12A
12B
13
13A
13B
14
15
15A
15B
15C
15D
15E
15F
16
17
17A
17B
Elution
Temp.
55
59
70
75
75
76
76
77
81
82
83
83
84
85
86
86
87
89
91
92
93
94
96
97
98
99
100
101
102
102
103
103
104
105
107
108
108
109
110
111
113
114
115
116
117
Compound
co2
acetaldehyde + propanol (tent
acetone
C-H.- isomer + furan
ii-pentane
C,H- isomer
J O
diethyl ether (tent.)
dichloromethane (BKG)
C.H., isomer
J O
butenal (tent.)
C,H, „ isomer + butanol (tent.
o 12
2-me thy Ipentane
isobutanal
methyl ethyl ketone
C.H, _ isomer
O Li.
hexafluorobenzene (eS)
n-hexane
1-butanol
perf luorotoluene (eS)
methylcyclopentane
n-butanal
C^Hn isomer
D 8
benzene
thiophene
C_Hn£ isomer
/ ID
2-pentanone
2-methylbutanal
C7H14 isomer
pentanal
C,H, - + C_H, , isomers
7 12 7 14
n-heptane
C-H.. „ isomer
C7H14 lsomer
C-H^- isomer
methylcyclohexane
CQH1t isomer
O 10
4-methyl-2-pentanone
C,H. .0 isomer
0 Lt.
C7H12 isomer + 2-methyl-3-
pentanone
3-methyl- 2-pentanone
C-H-2 isomer
toluene
2-me thy Ithiophene
3-methylthiophene
2-hexanone
ppm
-
.) 13 + 5
625 + 300
T
22 + 5
T
T
NQ
T
NQ
) T
T
T
300 + 239
T
22 + 10
NQ
T
2.2 + 0.4
T
4683 + 200C
96 + 20
T
380 + 340
115 + 25
T
60 + 40
T
70 + 30
T
T
3 + 2.6
T
T
167 + 134
T
T
83 + 39
T
920 + 460
219 + 100
219 + 100
300 + 195
Chromato-
graphic
Peak No.
18
18A
18B
19
20
20A
20B
21
21A
22A
22B
23
23A
23B
23C
24
24A
24B
24C
24D
25
25A
26
26A
26B
27
28
28A
29
29A
30
31
32
33
33A
34
35
36
37
38
38A
38B
39
39A
39B
39C
Elution
Temp.
118
119
120
121
122
123
124
124
125
127
127
128
128
129
129
130
130
131
131
132
132
133
134
135
137
138
138
139
140
142
143
144
145
147
148
149
150
151
151
152
153
153
154
155
156
156
Compound
C0H, , isomer
o 16
CnH.., isomer
8 16
CgH.., isomer
C0H- , isomer
O ID
n-octane
C8H16 + C8H14 ls°mers
CgH. , isomer
C8H16 + C9H20 isomer
CgH-8 isomer
CgH.. , isomer
C_H,.0 isomer
7 14
C9H20 lsomer
C0H.. ,. isomer
o 15
C8H14 + C9H20 isomers
C..H, , isomer
8 16
ethylbenzene
CgH „ isomer
C-H.., isomer
CgH.jp isomer
C.H.g isomer
m-xylene
C0H,, isomer
O ID
£-xylene
2, 5-dimethylthiophene
2 , 3-dimethylthiophene
styrene
o-xylene
CqH- o isomer
n-nonane
C-H, , isomer
9 16
C-H isomer
isopropylbenzene
CgH „ isomer
Clo'I22 isomer
C10H20 ls°mer
C..H-- isomer
ppm
9 + 3
40 + 10
T
T
400 + 103
T
T
T
T
T
T
42 + 12
12 + 3
T
T
T
T
T
T
T
605 + 112
10 + 5
3389 + 2247
15 + 3
16 + 6
460 + 262
145 + 1
T
511 + 20
T
T
.193 + 22
T
T
T
T
benzaldehyde + n-propylbenzene 20 + 3.4
C_H. fi isomer
m-ethyltoluene + C._H2-
p_-ethyltoluene + C.-H-^
CpH-Q isomer
C.^H-- isomer
1,3, 5-trimethy Ibenzene
CgHlg isomer
o-ethyltoluene
C10H20 ls°mer
T
isomer 3864 + 1000
isomer 3500 + 600
T
T
622 + 155
T
711 + 424
T
(continued)
381
-------
Table C45 (cont'd)
Chromato-
graphic
Peak No.
39D
40
41
42
43
43A
44
44A
45
46
47
47A
47B
48
49
50
50A
51
51A
52
52A
53
54
55
56
56A
57
58
58A
59
59A
59B
60
60A
61
61A
62
63
Elution
Temp . Compound
rn
157
158
159
161
161
162
162
163
163
164
166
166
167
168
169
169
170
171
171
172
173
174
175
175
176
177
177
178
179
180
180
181
181
182
182
183
183
184
methylstyrene Isomer
1,2,4-trimethylbenzene
n-decane
C10H20 lsomer
C H.. isomer
C.-alkyl benzene isomer
1,2, 3-trimethylbenzene
C.-alkyl benzene isomer
C11H24 isomer
indan
indene
C.-alkyl benzene + C-.H,,
isomers
methylpropylbenzene isomer
ppm
736 + 235
775 + 244
711 + 313
T
T
T
747 + 489
NQ
126 + 24
460 + 31
3158 + 953
370 + 70
152 + 24
ji-butylbenzene + dimethylethyl-
benzene + C. -iH,,,, isomer
diethylbenzene isomer
propyltoluene isomer
C11H24 + C10H20 lsoraers
C..H.. isomer
11 24
dimethylethylbenzene isomer
dimethylethylbenzene + C H.,
isoraers
mechylindan or C H isomer
1-undecene
vinylbenzaldehyde or methyl-
benzofuran isomer
n-undecane + C_-alkyl
benzene isomer
2-methylbenzofuran
C--alkyl benzene isomer
C-.-.H-.j isomer
Cetramethylbenzene isomer
C12H26 + C10H12 isomer
64 + 22
21 + 4.6
20 + 7.4
10 + 3
T
14 + 2.6
T
T
167 + 79
63 + 23
T
T
T
T
T
10 + 52
dimechylindan + C. -H-, isomers 53 + 25
LL Zo —
Cc-alkyl benzene isomer
tetramethylbenzene + C-.H-, 1-
C.-H isomers
dimethylindan isomer
methyllndan + C, -alkyl
benzene isomer
C..H isomer
C..H-, isomer
methylindene + methylindan
isomers
C,--alkyl benzene isomer
T
T
38 + 10
T
4 + 1
T
69 + 33
24 + 12
(cont
Chromato-
graphic
Peak No.
63A
64
64A
64B
65
65A
65B
66
66A
66B
66C
67
68
69
69A
70
71
71A
72
73
74
75
75A
76
77
78
78A
78B
79
79A
79B
80
81
81A
82
83
83A
83B
84
inued)
382
Elution
Temp . Compound
(°C)
184
185
186
186
187
188
188
189
190
191
191
192
194
194
196
197
198
198
199
200
201
201
202
202
203
204
205
206
206
207
208
209
211
212
212
213
214
215
215
methylindene isomer
C.-alkyl benzene isomer
C.,0H0, isomer
I/ /o
C- -H- , isomer
C.-alkyl benzene isomer
C12H24 + C12H22 isomers
C -alkyl indan isomer
ppm
T
72 + 30
57 + 30
T
T
T
T
naphthalene 23684 + 1353
C, 0H«, isomer
12 24
C.-alkyl indan isomer
n-dodecane
C, -alkyl indan isomer
4, 7-dimethylbenzofuran +
C13H28 iaomer
C,--alkyl benzene isomer
Cg-alkyl benzene isomer
C_-alkyl indan isomer
trimethylindan isomer
C -H-g isomer
C10H,, isomer
I/ ID
1-phenylhexane + methyl-
dihydronaphthalene isomer
C.jH.g + C, -alkyl benzene
isomers
methyldihydronaphthalene +
C11H14 isomer3
C14H28 isomer
C14H30 lsomer
C --alkyl indan isomer
C--alkyl indan isomer
C..H0, isomer
13 26
C3-alkyl indan + C14H2g
isomers
3-methylnaphthalene + n-
tridecane
C14H2g isomer
C12H16 lsomer
a-methylnaphthalene
Cn_H., isomer
12 16
C -alkyl benzene isomer
C4-alkyl indan + C^K^
isomers
C13H26 lsomer
C, -alkyl indan isomer
1-phenylheptane
C14H30 isomer
75 + 24
T
715 + 182
49 + 20
T
T
T
T
14 + 6
2 + 1
20 + 7.2
24 + 5.6
46 + 30
T
89 + 28
86 + 21
T
T
79 + 20
11.2 + 6
395 + 124
T
T
442 + 80
T
T
T
14 + 7.2
35 + 5.8
44 + 12
T
-------
Table C45 (cont'd)
Chromato-
graphic
Peak No.
85
86
87
87A
88
89
90
91
92
93
93A
93B
94
95
96
96A
96B
97
97A
98
98A
98B
98C
98D
99
100
100A
100B
Elution
Temp.
(°C)
216
217
218
219
220
221
224
226
226
227
228
229
230
231
232
234
235
236
240
240
240
240
240
240
240
240
240
240
Compound
C14H26 lsomer
C15H32 isomer
C14H26 is°mer
C14H28 is°mer
n-tetradecane
C15H30 is°mer
C^.H-2 isomer
C7-alkyl benzene + c;isH30
isomers
C15H-2 isomer
C,,H, _ isomer
16 32
C16H34 is°mer
C15H2g isomer
C16H34 is°mer
^15^10 ^somer
n-pentadecane
C15H30 ls°mer
C15H28 isomer
C15H3Q isomer
C.,H,, isomer
16 32
n-hexadecane
C,,H,,,. isomer
lo J£
C16H34 ls°mer
C,,H._ isomer
ID J2
C.._H,2 isomer
C.,-.H,, isomer
17 34
ri-heptadecane
C18H38 isomer
C,,H-, isomer
LI JO
ppm
85 + 11
86 + 12
84 + 14
1700 + 322
T
32 + 5.2
T
82 + 24
T
T
T
T
53 + 24
T
T
T
T
13 + 6
T
T
T
T
7.4 + 3.0
5.6 + 1.6
T
T
Chromaco- Elution
graphic Temp . Compound
Peak No. (°C)
383
-------
V,6
•H
CO
G
l> j
4-1
H
4-1
C
<1) 10000-
S-J
,_!
0
C
o
1 — 1
CO <-l
00 to
r- 4-1
0
H
Q)
•H
4-1
03
1 ' n
01 °
^ 910
r fl 0
y 1 1
1 :>
] 1
II
lt
\ \
y
~i r
2 0
i 4
2 ]
1
\
\
27
"ll
r
22 1. ,'
23
1 i
•• t r1
L' n
31-34
L
1
135
H
1 V \
4 0 r
i* 2
3 9
1
7lj
US
(T
1 [ 5
1|
'J
r.nr.iiT-]"- „, T-T"T~T"T~ i~~i~.iii.~~~. -T.~~~T-..«~~™ | | |'
0 9150 9200 92SO
6 1
63
'(A
1
6 D !
t ]
L' rj
1
1
59 /'
J J[ ^8
i'5||
55 U
71 13
ft
74 85
1 8688
6 7 8 9
i (
1 ' &
I
!' r
§43
1
'
ii 1
"'<.] J
9 7
S 6
C 0
r
!,'!
?,o
* i .. i
I J "U 'll
f!'Vl t1
'•.' V l\,
56
9300
93SO
i
1 .
1
1
,
-
1
1
1 1 6
f07
h oe
1!
I
1 1 7
1 1 B
1 1 9
i T
/ ° ' i (1 J
ni'ii: A
II
U t'°/l;"3
if '^'^i
1 1 u '^
1
r
9400 9450
Mass Spectrum No.
Figure C17. Profile of volatile organics in product water (-18L) during well 7-8 in situ
coal gasification (LERC, ERDA).
-------
Table C46.
VOLATILE ORGANICS IN PRODUCED WATER (-18L) DURING WELL 7-8
IN SITU COAL GASIFICATION (LERC, ERDA)
Chroma to-
graphic
Peak No.
1
3
4
5
7
9
10
11
12
14
15
17
18
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
Elution
Temp.
41
45
46
46
50
55
58
59
60
63
64
68
68
69
72
73
73
74
76
80
81
83
85
86
88
89
90
92
93
94
102
104
106
107
109
109
109
110
111
111
112
114
116
117
119
120
Compound
co2
acetaldehyde
acetonitrile
C , H_ _ is omer
4 10
methyl-n-propyl ether
butadiene
C.H - isomer
perfluorobenzene (eS)
C H. , isomer
perfluorotoluene (eS)
C..H.. , isomer
6 14
benzene
C-H.. - isomer
b LL
C^H.. . isomer
6 14
C H isomer
C.H , isomer
C..H., , isomer
7 lo
C-H.. - isomer
C-H.. , isomer
C-,H.. . isomer
/ ID
pyrrole
C.H., - isomer
7 12
C-,H, , isomer
7 14
toluene
methylthiophene isomer
methylthiophene isomer
C,H, , isomer
7 16
dihydropyran
C-H . isomer
o lo
2-methylpyrrole
methylpyridine
methylpyridine
ethylbenzene
C.H, . isomer
o ID
CgH_- isoraer
m-xylene
C-H, , isomer
O ID
C.H „ isomer
o lo
C.H. , isomer
o 10
styrene or cyclooctatetraene
o-xylene
C-H , isomer
o ID
C9H20 lsomer
o-toluidine (tent.)
C --alkyl benzene
C H , isomer
o ID
ppb
360
336
15
210
36
49
62
71
315
69
T
31
6
2
1
T
15
300
7
6
297
115
96
26
26
4
84
162
62
180
'17
4
348
98
T
121
137
124
T
28
17
7
11
(contin
Chromato—
graphic
Peak No.
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
91
92
93
94
95
96
97
98
99
100
101
103
ued)
Elution
Temp.
121
122
122
124
125
126
127
128
129
129
130
131
132
133
133
138
140
141
143
143
144
144
145
146
147
148
148
150
151
151
151
151
153
153
157
159
159
159
160
160
160
161
161
161
163
166
Compound
CqH1H isomer
C H isomer
C_H_. isomer
o 10
benzaldehyde
C --alkyl benzene isomer
CqH-, „ isomer
C -alkyl benzene isomer
benzonitrile
C --alkyl benzene isomer
C9H20 isomer
C -alkyl benzene isomer
C H._ isomer
phenol
benzofuran
C ,-alkyl benzene isomer
C, -alkyl benzene isomer
indan
methylphenylacetylene isomer
cresol isomer
C -alkyl benzene isomer
methylphenylacetylene isomer
C.-H.. isomer
10 20
C,-alkyl benzene isomer
C10H20 iS°mer
cresol isomer
ethylstyrene isomer
C. -alkyl benzene isomer
ethylstyrene isomer
C, -alkyl benzene isomer
methylbenzofuran isomer
dimethylphenol isomer
methylbenzofuran isomer
methylbenzofuran isomer
C, -alkyl benzene isomer
C. -alkyl benzene isomer
dimethylstyrene isomer
C -alkyl benzene isomer
dimethylphenol isomer
ppb
121
T
22
97
32
28
71
97
T
141
129
77
NQ
180
288
94
76
T
NQ
T
T
T
76
89
NQ
6.8
T
439
T
2.4
NQ
4.8
T
21
33
3.2
4
NQ
unsat. C. -alkyl benzene isomerT
methylindene isomer
ethylstyrene isomer
C, -alkyl benzene isomer
methylindene isomer
C. -alkyl benzene isomer
C -alkyl phenol isomer
naphthalene
31
32
77
42
5
NQ
95
385
-------
Table C46 (cont'd)
Chromato-
graphic
Peak No.
104
105
106
107
108
109
110
111
112
114
115
116
117
118
119
120
123
Elution
Temp.
(°C)
167
168
168
170
171
172
175
177
180
182
183
184
186
186
187
190
206
Compound
dimechylindan isomer
C -alkyl benzene Isomer
C -alkyl phenol Isomer
dimethylbenzimidazole (tent
dimethylindan Isomer
C -alkyl phenol isomer
C^-alky! benzene isomer
dimethylindole (tent.)
C, ., H, , isomer
11 14
unsat. Cft-alkyl benzene
isomer
C H isomer
3-methylnaphthalene isomer
unsat. C, -alkyl benzene
C13H28 isomer
ct-methylnaphthalene isomer
unsat. C^-alkyl benzene
6
isomer
C H0 , isomer
11 24
ppb
T
37
NQ
) NQ
T
NQ
3
28
72
4
114
123
NQ
NQ
29
T
Chromato- Elution
graphic Temp. Compound ppb
Peak No. (°C)
386
-------
00
",1'i \
Mass Spectrum No.
Figure CIS. Profile of volatile organics in product water (-19L) from in situ coal
gasification (LERC, ERDA).
-------
Table C47. VOLATILE ORGANICS IN PRODUCED WATER (-19L) FROM WELL 7-i
IN SITU COAL GASIFICATION (LERC, ERDA)
Chromato-
graphic
Peak No.
1
3
4
6
7
8
12
13
14
15
17
18
20
21
21B
22
23
24
24A
25
25A
26
27
28
29
30
30A
31
32
33
33A
34
35
37
38
38A
38B
39
39A
40
40A
40B
41
42
43
Elution
Temp.
41
43
44
47
48
48
53
56
57
58
60
62
64
66
67
69
71
74
75
76
78
80
82
83
84
85
86
87
88
89
91
94
97
100
101
102
102
103
104
105
106
106
107
108
109
Compound
co2
1-butene
n-butane
acetone
ethanenitrile
dimethyl ether + diethyl ether
propanenitrile
methyl ethyl ketone
hexafluorobenzen (eS)
ii-hexane
isobutrylaldehyde (tent.)
perfluorotoluene (eS)
3-me thy 1-2-butanone
benzene
thiophene
2-pentanone
3-pentanone
C.,H, , isomer
/ ±D
methylbutanenitrile isomer
C,Hn ,0 isomer
o iz
IJ-methylpyrrole
4-me thy 1- 2-pentanone
pyrrole + 2-methyl-3-pentanone
3-me thy 1- 2-pentanone
ji-pentanenltrile
toluene
2-me thy 1 thiophene
3-me thy 1 thiophene
cyclopentanone + 3-hexanone
2-hexanone
sulfur compound
ii-octane
C-.HT .0 isomer
7 14
methylcyclopentane + methyl-
pyridine isomer
methylpyrrole isomer
5-methyl-2-hexanone
methylpyridine isomer
4-heptanone
dimethylpyrrole isomer
ethylbenzene
hexanenitrile
dimethylthiophene isomer
p^-xylene
dlmethylthiophene isomer
3-heptanone
ppb
T
T
3340±50
223+18
69+35
619±155
13230+1072
20+17
T
9.6+4.6
4542±1262
69±23
130+49
79±3
17±1
43±0
13.3+0
6±0
17±1.67
15A9+16
31±8
461+92
2145±582
79±6.7
92±9.3
55±13
626+0
NQ
T
167±9
54±13
6±5
26±0
113±23
10±7
T
53+11
21±7
11±0
232+60
17+2
14±1
Chromato-
graphic
Peak No.
44
45
46
47
48
49
49A
49B
50
50A
51
51A
52
53
53A
53B
54
55
56
57
57A
58
59
59A
60
61
61A
63
64
64A
65
66
67
67A
67B
68
68A
68B
69
69A
70
70A
71
(continued)
388
Elution
Temp.
110
110
111
112
113
114
115
116
117
117
118
119
120
121
122
123
124
125
125
126
126
127
128
129
130
131
131
135
137
138
139
140
141
142
143
143
144
145
146
146
147
147
148
Compound
2-heptanone + ethylthiophene
isomer
styrene
o-yxlene
dimethylthiophene isomer
2-ethylpyridine
n-nonane
dimethylpyrrole + dimethyl-
pyridine isomers
dimethylpyridine isomer
isopropylbenzene isomer
C10H22 isomer
C H.g isomer
2-ethylcyclopentanone
ethylpyridine isomer
C10H22 isomer
6-methyl-3-heptanone
benzaldehyde
ii-propylbenzene
m-e thy 1 toluene
p_-e thy 1 toluene
C HIS isomer + 1,3,5-
trimethylbenzene
benzonitrile
C11H24 isomer
jD-ethyltoluene
trimethylthiophene isomer
phenol
benzofuran
1,2,4-trimethylbenzene
C10H20 isomer
1,2, 3-trimethylbenzene
C,-alkyl benzene isomer
indan
indene
2~cresol
C,-alkyl benzene isomer
C,-alkyl benzene isomer
acetophenone
C10H20 lsomer
C,-alkyl benzene isomer
£-qresol
C,-alkyl benzene isomer
methylindan isomer
C -alkyl benzene isomer
methylindan isomer
ppb
36.7+6.6
45.7+22
132±14
7±4
19.3±2.6
4.312.3
T
T
3.0±6.7
19.7+1.0
10.3+1
T
32+0.4
8.312.3
3218.6
16113
5.0+0.7
53+5.7
3211
176+44
28+2.7
72+8.6
3211
2.7+1.7
NQ
237±27
120+13
T
130±14
42+27
128+16
273±59
NQ
2812
7±4
11+0.3
510.7
5.712.6
NQ
19+3.6
1+0
19.712.7
78+24
-------
Table C47 (cont'd)
Chromato-
graphic
Peak No.
71A
7 IB
72
73
73A
74
75
76
77
77A
77B
78
78A
78B
79
79A
80
80A
SOB
81A
82
82A
83
84
85
85A
86
86A
87
88
89
89A
90
91
92
93
93A
94
95
95A
96
97
Elution
Temp.
(°C)
149
149
150
151
152
154
155
156
157
158
158
159
159
160
160
161
161
162
164
165
166
167
168
169
169
170
170
171
173
175
176
178
179
180
183
184
185
186
187
188
190
Compound
C.-alkyl benzene isomer
mechylbenzofuran or C H n
isomer
dimethylphenol isomer
2-methylbenzofuran
C^-alkyl benzene isomer
n-undecane
C.-alkyl benzene isomer
C.-alkyl benzene isomer
ethylphenol isomer
C ..-alkyl benzene isomer
dimethylindan isomer
dimethylphenol isomer
C^-alkyl benzene isomer
methylindene isomer
methylindan isomer
C.-alkyl benzene isomer
methylindene isomer
C^-alkyl benzene isomer
dimethylphenol isomer
dimethylphenol isomer
C.-alkyl benzene isomer
dimethylphenol isomer
naphthalene
benzothiophene isomer
dimethylindan isomer
dimethylbenzofuran isomer
n-dodecane
Cfi-alkyl benzene isomer
4, 7-dimethylbenzof uran
C -alkyl phenol isomer
dimethylindan isomer
C,-alkyl indan isomer
dimethylindan isomer
methyldihydronaphthalene
isomer
methyldihydronaphthalene +
C, -alkyl indan isomers
dimethylindan isomer
C --alkyl indan isomer
a-methylnaphthalene
n-tridecane
C--alkyl indan isomer
B-methy Inaphthalene
C -alkyl indan isomer
ppb
2.3+1
9±2
NQ
78+14
38±4.7
6+1
T
T
NQ
T
1+0
NQ
T
33±2.7
8±4
28±6.3
18+1.7
T
NQ
NQ
T
NQ
1796±22
90±9
15
35+9
12+1
8±3
12+3
NQ
3±2
T
3±0.7
T
5.3t
2±0.3
6±3
117±11
11+1
96±17
57±6
T
Chromato-
graphic
Peak No.
98A
98B
99
100
101
101A
102
103
104
105
106
106A
107
108
109
110
110A
111
112
112A
113
114
Elution
Temp . Compound
(°C)
193
195
197
198
200
201
202
203
205
208
211
212
213
214
216
218
226
227
228
240
240
240
C -alkyl indan isomer
C.-alkyl indan isomer
biphenyl
C12H24° isomer
C14H28 lsomer
ethylnaphthalene isomer
n- tetradecane
dime thy Inaphthalene isomer
dimethylnaphthalene isomer
dimethy Inaphthalene isomer
C15H32 isomer
C15H30 lsomer
2-tridecanone
C15H30 ±Somer
n-pentadecane
silane compound (BKG)
tetradecanone isomer
CT,H, - isomer
ID JZ
n-hexadecane
C15H30° lsomer
C17H34 tsomer
ri-heptadecane
ppb
T
T
6±0
4.6±2
6.3±3
3±0
3
.3
7
64±12
7.6±1
23±4
6±1
12+5
3.6±1
1.711
10.715
9.3±3
NQ
14. 7 ±2
8.3+3
10.3±0.
T
15.7+5.
4.6+2.
6
3
3
3
3
0
3
389
-------
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9000 9050
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[
3
A
V
V
6
5
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VJ
5 10
I
T
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.
2
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25
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9100 9150 9200 9250 930'. 9 3 5 ;• % v ;• r.
Mass Spectrum No.
Figure C19. Profile of volatile organics in ground water sample from corehole #3
(-20L) after in situ coal gasification (LERC, ERDA) .
-------
Table C48. VOLATILE ORGANICS IN GROUND WATER (-20L) FROM COREHOLE #3
POST-IN SITU COAL GASIFICATION (LERC, ERDA)
Chromato-
graphic
Peak No.
1
2
3
4
6A
7
8
10
IDA
11
11A
11C
12
12A
13
13A
13B
13C
13D
15
16
16A
16B
16C
17
17A
18
ISA
18B
19
19A
20
20A
20B
20C
21
21A
21B
21C
22
22A
23
24
24A
26
Elution
Temp.
57
61
62
63
71
72
73
77
78
82
84
90
91
96
103
109
109
111
112
123
125
126
128
129
129
130
130
131
132
133
135
137
138
138
139
140
141
143
144
144
145
146
149
150
152
Compound
acetaldehyde
propenal
acetone
diethyl ether
n-butanal
hexaf luorobenzene (eS)
n-hexane
perfluorotoluene (eS)
methylcyclopentane
benzene
cyclohexane
pentanal (tent.)
n-heptane
methylcyclohexane
toluene
4-methyl-2-pentanone
C.H., + CsHlfl isomers
o ID o lo
C.H.- isomer
o lo
n-octane
ethylbenzene
m or p-xylene
C-H, , isomer
o lo
C9H20 isomer
C9H20 isomer
styrene
o-xylene + C H 0 isomer
C9H20 isomer
C_H.g isomer
heptanal isomer (tent.)
n-nonane
C..H, ,0 isomer
7 14
C.-H-- isomer
CQH1 _ isomer
C H-. isomer
C10H20 is°mer
C...H-,, isomer
CT rv^on ~^~ C-i rttl.. ,- (tent.} is
10 20 10 16
benzaldehyde
C0H..,0 isomer
o lo
m or £-ethyltoluene
Cir.H,j,j isomer
C11H24 is°mer
C11H24 isomer
ppb
2.50 + 0.3
T
12.50+3
8.75 + 0.9
T
2.82 + 0.3
0.18 + 0.11
150 + 17
0.28 + 0
4.00 + 0.9
0.25 + 0
0.17 + 0
2.76 + 0.3
0.17 + 0
0.77 + 0.2
0.23 + 0.1
0.14 + 0
0.12 + 0
0.28 + 0
T
T
T
0.17 + 0
0.17 + 0
0.45 + 0.1
0.26 + 0
T
0.09 + 0
T
T
0.04 + 0
T
T
0.31 + 0.1
omers 0.56+0
0.40 + 0.1
T
T
T
5.01 + 0.1
1.50 + 0.3
C1QH20 isomer + 1,2, 4-trimethyl-
benzene
n-decane
0.11 + 0
0.18 + 0
Chromato-
graphic
Peak No.
27
27A
28
29
29A
30
30A
31
31A
3 IB
31C
3U>
32
32A
33
34
34A
34B
34C
34D
35A
35B
36
37
37A
38A
39A
Elution
Temp.
154
156
156
158
160
161
162
163
164
166
167
167
169
170
172
173
176
178
179
179
183
183
185
187
192
204
217
Compound
CUH22 isomer
1, 2 ,3-trimethylbenzene Q
CnlH_. + C.-alkyl benzene i
11 24 4
isomers
C..~H_, isomer 0
indene o
C11H24 *somer 0
C,-alkyl benzene isomer
acetophenone Q
C11H24 isomer 0
C,-alkyl benzene isomer Q
methylindan isomer o
C,-alkyl benzene isomer
C10H16 isomer °
n-undecane Q
C1QH12 isomer
C,-alkyl benzene isomer
cresol isomer
C10H20° ±SOmer
dimethylphenol isomer
methylindan + C,-alkyl benzene
isomers
dimethylphenol isomer
C 12^26 isomer
naphthalene i
n-dodecane Q
dimethylphenol isomer
C13H28 isolller 0
n-tridecane Q
ppb
T
05+0
00 + 0.2
05 + 0
18 + 0
20 + 0
T
15 + 0
55 + 0.1
21 + 0
22 + 0
T
26 + 0
05 + 0
T
T
NQ
T
NQ
0.07 + 0
NQ
T
26 + 0.1
12 + 0
NQ
04 + 0
02 + 0
391
-------
4-1
•H
en
a
i)
4-J
c
VO
NO
(3
O
H
cd
4-1
O
H
-u
cd o~r
^
^
fc5 0 0700 0750 OB 0 0 0850 0^00 0950 1000 lO^i) 1100 ll^f 120
Mass Spectrum No.
Figure C2Q- Profile of volatile organics in post-gasification water sample (-22L) from
well #8, Hanna 1 (LERC, ERDA).
-------
Table C49. VOLATILE ORGANICS IN POST-GASIFICATION (-21L) FROM
WELL #1, HANNA #1 (LERC, ERDA)
Chroma to-
graphic
Peak No.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
41,
Elution
Temp .
55
57
61
62
63
71
73
74
77
78
84
85
91
96
106
109
111
112
115
124
129
130
132
133
135
136
139
140
142
143
145
146
149
149
150
151
152
153
156
159
160
161
162
16J
lb(>
16,
Compound
co2
propenal
acetone
C . H- _ isomer
4 10
diethyl ether
n-butanal
perf luorobenzene (e£)
n-hexane
perf luoro toluene (e$)
methylcyclopentane
benzene
cyclohexane
n-heptane
niethylcyclohexane
toluene
4-methyl-2-pentanone
C H isomer
o lo
n-oc tane
C-.H- - isomer
/ lo
C0H. , isomer
0 lo
ethylbenzene
m- and £-xylene
heptanal isomer
C.,H_ . isomer
7 14
C_Hn , 0 isomer
7 14
C H isomer
o -Lo
C-H., , isomer
o lo
C H isomer
benzaldehyde
C,.-alkyl benzene isomer
CnH., , isomer
o 16
cyanobenzene
C..H., isomer
11 24
C,-alkyl benzene isomer
C,,H,. isomer
11 24
phenol
^-decane
C,-alkvl benzene isomer
4
C9H18 isomer
C,-alkvl benzene isomer
4
indene
C,,H-, isomer
11 2M
C -alkyl benzene isomer
acetophenonc
C,-alkvl benzene isomer
-*
C,-alkvl benzene Nomer
ppb
NQ
NQ
5.70
2.20
9.92
T
3.4
0.55
3.22
0.31
0.42
T
6.75
0.22
0.33
0.11
T
T
1.20
3.92
T
T
T
T
T
T
8.75
T
T
0.35
1.60
T
0.80
NQ
0.39
T
T
T
0.20
T
T
T
T
T
Chromato- Elution
graphic Temp. Compound
Peak No. (°C)
47 170 n-undecane
48 176 cresol isomer
49 176 C,H_-benzene isomer
4 /
50 178 cioH20° isolner
51 179 C -alkyl benzene isomer
52 179 dimethyl phenol
53 182 C2-alkyl phenol
54 182 C -alkyl benzene isomer
55 182 dimethylindan isomer
56 184 dimethylindan isomer
57 194 C,H_-benzene isomer
4 7
58 203 biphenyl
59 204 C,-HOQ isomer
1 J ZO
60 212 cinH22 isomer
61 217 n-tridecane
ppb
0.11
NQ
T
T
T
NQ
NQ
T
T
T
T
0.33
0.06
T
0.07
393
-------
Table C50. VOLATILE ORGANICS IN POST-GASIFICATION WATER (-22L) FROM
WELL #8, HANNA 1 (LERC, ERDA)
Chromato-
graphic
Peak No.
1
2
3
4
6
9
10
12
13
15
17
18
20
21
22
23
24
25
26
27
28
29
30
Elution
Temp.
(°C)
52
53
56
58
62
74
75
79
84
93
106
115
129
130
132
133
136
139
140
141
142
145
146
Compound
co2
C,H isomer
acetaldehyde
C.H-.,. isomer
4 10
C4H1Q isomer
perf luorobenzene (eS)
hexanol (tent.)
p er f luo ro t o luene ( eS )
benzene
C-.H-., isomer
7 16
toluene
C-.H-. , isomer
/ lo
ethylbenzene
m- and p-xylene
styrene and cyclooctatetraene
C-.H.. . isomer
7 14
C H isomer
o ±o
C_H, , Isomer
O ID
C0H, . isomer
0 14
benzaldehyde
C -alkyl benzene isomer
C0H. , isomer
CS ID
cyanobenzene
ppb
NQ
T
1.38 i 0.1
1.76 + 0.3
2.20 + 0.1
1.98 + 1.2
5.38 + 1.2
3.52 + 2.5
T'
T
3.42 + 1.4
0.11 + 0
T
T
T
T
7.50 + 1.3
T
T
0.25 + 0
Chromato-
graphic
Peak No.
31
32
33
35
36
37
38
39
40
41
42
43
44
45
46
48
49
50
51
52
53
55
57
Elution
Temp.
(°C)
147
149
149
151
153
156
159
161
162
164
166
168
172
174
176
179
181
182
182
184
194
203
212
Compound
C-H, isomer
o ID
C^-alkyl benzene isomer
C^H^-benzene isomer
phenol
C, -alkyl benzene isomer
C.H.- isomer
7 J-tJ
C,-alkyl benzene isomer
C, -alkyl benzene isomer
C.H -benzene isomer
C, -alkyl benzene isomer
C--alkyl phenol isomer
C, -alkyl benzene isomer
C, -alkyl benzene isomer
C.H -benzene isomer
C, -alkyl benzene isomer
C^-alkyl phenol isomer
C_-alkyl benzene isomer
dimethylindan isomer
dimechylindan isomer
C.H -benzene isomer
biphenyl
C10H22 lsomer
ppb
T
T
T
NQ
T
T
T
T
T
T
T
NQ
T
T
T
T
NQ
T
T
T
T
0.80 + 0.2
T
394
-------
30000-
Ln
CO
0)
4-J
a
c
o
o
H
0)
•H
4_)
0)
CU
£0000-
10000-
0-
1300
10
•••i ••••!••,•-i •i-rT'-r'T"!"" | ™i
1350 1400
1450 1500 15SO
Mass Spectrum No.
56 78
Figure C21. Profile of volatile organics in post-gasification water sample (-23L)
from well WQ-1 after in situ coal gasification (LERC, ERDA).
-------
Table C51. VOLATILE ORGANICS IN POST-GASIFICATION WATER (-23L)
FROM WELL WQ-1 (LERC, ERDA)
Chromato-
graphic
Peak No.
1
1A
IB
2
4A
5
6
8A
9
10
11A
12
12A
14
15
16
17
ISA
18B
18C
19
19A
20
21
22
24
24A
24B
25
25A
26
27
29
31
34
35
37
37A
38A
38B
39
40
40A
41
41A
Elution
Temp.
53
54
55
57
64
65
66
77
78
79
82
83
84
88
93
103
116
120
121
122
132
133
133
135
139
144
145
146
147
148
149
151
153
158
162
166
170
176
181
181
183
184
185
186
196
Compound
co2
1-butene + n-butane
2-butene
acetaldehyde
acetone
n.-pentane
diethyl ether
but anal
perf luorobenzene (eS)
n-hexane
methyl ethyl ketone
per fluoro toluene (e§)
methylcyclopentane
benzene
n~heptane
toluene
n-octane
furfural (tent.)
ethylbenzene
m or £-xylene
styrene
o-xylene
CqH._ isomer
n-nonane
C. flH..,. isomer
b en z aldehyde
n-propylbenzene (tent.)
ni or _p_-ethyltoluene
C10H22 isoiner
cyanobenzene (tent. ) +
methyl- styrene isomer
C1QH22 isomer
C10H20 iSOmer
ii-decane
C11H24 lsomer
acetophenone
dimethylstyrene isomer
n-undecane
dimethylphenol isomer
dimethylphenol isomer
C,-alkyl benzene isomer
decanone isomer
C!2H24 isomer
ethylphenol isomer
n-dodecane
ethylphenol isomer
ppb
T
T
5.92+0.6
10.42+3.3
T
1.44+0.1
0.22+0
0.58+0
T
0.18+0
0.64+0.1
0.05+0
8.82+0.9
T
T
T
T
0.13+0
0.05+0
2.00+0.5
0.14+0
0.63+0.1
0.13+0
0.05±0
T
12.26+3.3
0.02±0
4.29+1.8
3.17+1.8
0.32+0
4.03+0.7
0 . 04+0
T
T
NQ
NQ
T
T
0.38+0.1
NQ
T
NQ
Chromato- Elution
graphic Temp. Compound ppb
Peak No. (°C)
43 201 n-tridecane T
46A 218 n-tetradecane T
46B 219 dime thy Inaphthalene isomer 0.05+0
46C 221 dimethy Inaphthalene isomer 0.02+0
47 227 cisH3o isomer 0.08+0
48 229 ri-pentadecane T
396
-------
Table C52. VOLATILE ORGANICS IN POST-GASIFICATION WATER (-24L) FROM
WELL #1, HANNA #2 (LERC, ERDA)
Chromato-
graphic
Peak No.
1A
IB
2
3
3A
3B
5
6
7
7A
9
10
12
12A
12B
13
14
14A
14B
14C
15
16
16A
16B
17
17A
18
19
20A
21
21A
22
23
24
24A
24B
25
26
27
27A
28
28A
28B
28C
28D
Elution
Temp.
55
55
56
60
61
62
65
72
73
74
77
79
82
84
88
89
91
92
98
100
101
102
105
107
108
109
111
113
117
119
121
122
124
127
127
128
128
130
131
133
135
135
136
136
137
Compound
1-butene
n-butane
acetaldehyde 5.
propanal
acetone
diethyl ether 0.
carbon disulfide
n-butanal 0.
hexaf luorobenzene (eS)
_n-hexane 1 •
perf luorotoluene (eS)
so2
benzene 13.
thiophene (tent.)
C,H 0 isomer
n-pentanal
n-heptane 0.
C-H. , isomer 0.
4-methyl-2-pentanone 0.
C.H 0 isomer
u L2.
hexanal isomer
toluene 15.
ppb
T
NQ
20+1.7
T
T
56+0.1
NQ
18+0
33+0.3
NQ
41+1.1
T
T
T
13+0
12+0
18+0
T
T
97+3.4
methylthiophene isomer (tent.) T
2-methylpentanal 0.
3-methylpentanal 0.
n-hexanal + C0H.., isomer
— o ID
ri-octane 0.
C_H, ,0 isomer
7 14
2-methylcyclopentanone
C-H 20 isomer
heptanone isomer
ethylbenzene 0.
m or o^-xylene 6.
2-heptanone
dimethylthiophene isomer
styrene 0.
o-xylene 1-
CgHlg isomer 0.
n-nonane 1.
C9H18 lsomer
isopropylbenzene
C1QH22 isomer 0.
CgH140 isomer 0.
octanone isomer 0.
4-methyl-3-hepten-2-one 0.
55+0
55+0
T
26+0
T
T
T
T
19+0
87+0.7
T
T
12+0
22+0.5
14+0
43+0.2
T
T
18+0
14+0
19+0
10+0
(con
Chromato-
^raphic
Peak No.
28E
29
29A
30
31
31A
32
33
34
34A
35
35A
35B
36
38
39
40
40A
41
42
43
44-5
46
46A
47
47A
47B
48
48A
49
50
51
51A
52
52A
53
inued)
397
Elution
Temp.
138
138
139
140
140
141
142
143
144
144
145
147
148
148
150
152
153
154
156
157
158
160
162
163
163
164
164
165
165
166
167
167
168
168
169
170
Compound
3-methyl-2-heptanone + C E.
isomer
C-j^H-- isomer
2-octanone
benzaldehyde
n-propylbenzene + m-ethyl-
toluene
C_-alkyl thiophene isomer
p_-ethyl toluene
1,3, 5-trimethylbenzene
C10H20 isomer
C.QH,2 isomer
o-ethyltoluene
octanone isomer
benzofuran
1,2, 4-trimethylbenzene
n-decane
phenol + C..,H20 + C, -alkyl
thiophene isomers
1 , 2, 3-trimethylbenzene
C,-alkyl benzene isomer
indan
C, -alkyl benzene + C H.,
isomers
indene + C -alkyl benzene
isomer
isobutylbenzene + diethyl-
benzene isomer
C,-alkyl benzene isomer
C. -alkyl benzene isomer
tetramethylbenzene isomer
diethylbenzene isomer
2-nonanone
methylindan isomer
C, -alkyl benzene isomer
methylindan isomer
C. ,H__ isomer
ethylheptanal isomer (tent.)
methylbenzof uran or 2-methyl-
benzimidazole + C, -alkyl
benzene + C^-alkyl benzene
n-undecane
2-methylbenzofuran + C, -alkyl
benzene isomer
C (.-alkyl benzene isomer
ppb
T
0.13+0
1.35+0.7
11.18+2.2
T
T
0.17+0
0.12+0
2.96+0.3
0.57+0.1
0.93+0.1
0.36+0.1
0.06+0
0.24+0
1.27+0.3
1.15+0.2
T
0.55+0.1
12.22+5.4
T
1.59+0.3
T
0.50+0.1
T
5.62+0.7
0.66+0.3
NQ
1.25+0.7
0.10+0
1.25+0.8
1.72+1.6
NQ
16.75+4.73
isomers
3.40+1.8
12.21+1.7
2.35+1.1
-------
Table C52 (cont'd)
Chromato-
graphic
Peak No.
54
54A
55
55A
56
57
57A
57B
58
59
59A
60
61
61A
62
62A
62B
63
64
66
67
67A
68
69
69A
70
70A
71
71A
72
72A
72B
73
73A
74
75
75A
76
77
79
Elution
Temp . Compound
171
173
173
174
175
177
178
179
180
181
182
182
183
184
186
187
188
188
189
192
193
194
195
196
196
198
199
200
201
202
204
205
208
209
209
211
212
213
213
216
tetramethylbenzene isomer
dimethylindan isomer
C --alkyl benzene isomer
methylindan isomer
C,--alkyl benzene isomer
dimethylstyrene isomer
C. -alkyl benzene isomer +
pentylbenzene
Ct--alkyl benzene isomer
C, -alkyl benzene + C10H-,
J LL ZO
isomers
C, -alkyl benzene isomer
D
decanone isomer
naphthalene
dimethylindan isomer
dimethylindan isomer
n-dodecane
C_-alkyl indan isomer
C, -alkyl benzene isomer
ppb
17.89+2.7
7.78+0.8
0.274.0.1
T
0.29+0.1
3.83+0.4
2.96+0.1
1.75+0.1
0.57+0.1
0.10+0
T
7.18+0.9
0.06+0
7 . 02+1
12.50+5.4
T
T
dimethylbenzofuran or dimethyl- 1.00+0.1
benzimidazole + c H
13 28
isomers
C -alkyl benzene + Cn.H.,
o 12 16
isomers
C, -H.. f. isomer
12 16
C -alkyl benzene isomer
C13H18 isomer
C, -alkyl benzene isomer
C -alkyl benzene isomer
C-. -fi"jQ isomer
C14H30 laomer
C12H16 isomer
C14H30 isomer
C, -H,_ isomer
1J zo
n-tridecane + a-methyl-
naphthalene
C, 2^-1 £ isomer
C H isomer
13 18
C13H18 isomer
C -alkyl benzene isomer
C13H18 lsomer
C14H30 lsomer
C, c-H-,, isomer
C15H14 + C13H18 isomers
C cH__ isomer
C14H30 isomer
0.57+0.1
0.40+O.J
0.65+0.1
0.10+0
0.38+0.3
0.41+0.3
11.00+1.0
12.15+1.7
13 . 00+1 . 1
4.50+1.7
4.77+0.6
5 . 03+0 . 4
4.85+0.3
0.50+0.1
0.12+Q.l
5.71+1.6
6.74+2.3
8 . 15+2 . 0
NQ
NQ
7.62+1.65
Chromato- Elution
graphic Temp . Compound ppb
Peak No. (°C)
80 217 Clt.H,,, isomer 2.76+1.0
15 30 ~~
80A 220 dimethylnaphthalene isomer 2.70+0.1
SOB 222 C15H32 isomer NQ
80C 223 C15H isoroer NQ
81 240 C16H34 isomer NQ
82A 240 C,,!!,. isomer NQ
16 34
83 240 C17H34 isomer NQ
84 240 C,,H,, isomer NQ
I/ yb
398
-------
S?OP 5250
Mass Spectrum No.
Figure C22. Profile of volatile organics in post-gasification water sample
(-25L) from well #4, Hanna 11 (LERC, ERDA).
-------
Table C53. VOLATILE ORGANICS IN POST-GASIFICATION WATER (-25L) FROM
WELL #4 HANNA II (LERC, ERDA)
ChromaCo-
graphic
Peak No.
1
2
6
7
8
9
11
12
13
15
16
17
18
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
55
56
Elution
Temp.
49
50
63
69
70
70
75
75
80
92
102
103
107
120
122
125
128
129
132
136
137
138
139
144
144
146
148
149
152
152
154
156
157
158
161
162
164
165
168
169
172
174
176
179
187
188
Compound
N2 + °2
co2
C4H1Q isomer
methylpentane isomer
perf luorobenzene (eS)
C,H, , isomer
6 14
perf luoro toluene (eS)
methylcyclopentane
benzene
C-.H-. , isomer
7 16
toluene
C..H, , isomer
/ 10
CQH fl isomer
o lo
C0H, , isoraer
o lo
CL-alkyl benzene isomer
C7H12 isomer
styrene
C--alkyl benzene isomer
C0H. , isomer
o lo
C H-Q isomer
C, «H_0 isomer
10 22
C,nH,.n isomer
10 20
C. _H_ - isomer
10 20
benzaldehyde
C.-alkyl benzene isomer
CT -H«. isomer
11 24
C. _HL . isomer
11 24
C_ ,H_ . isomer
11 24
C, nHnn isomer
10 22
Cn -H,. isomer
11 24
C. , H-_ isomer
11 22
C^-alkyl benzene isomer
C12H24 isomer
C, _H- , isomer
12 26
C10H0, isomer
12 26
C,-alkyl benzene isomer
C_-alkyl benzene isomer
CL-alkyl benzene isomer
C,-alkyl benzene isomer
Cj.-alkyl benzene isomer
C- H0 , isomer
11 24
C.-alkyl benzene isomer
C- _ H_n isomer
11 20
C^-alkyl benzene isomer
Cg-alkyl benzene isomer
C12H26 lsomer
ppb
T
T
T
1.60+0
1.09+0.3
T
11.24+1.31
T
T
T
T
T
0.06+0
0.20+0
0.22+0
0.30+0.1
T
T
0.15+0
0.29+0
T
3.00+1.2
—
1.10+0.6
0.85+0.4
T
0.45+0.2
—
T
T
T
0.25+0.1
0.23+0.1
—
T
0.16+0
T
T
0.05+0
T
T
T
T
T
T
Chromato- Elution
graphic Temp. Compound ppb
Peak No. (°C)
57 205 C^H.- isomer T
1 J 2.Q
400
-------
APPENDIX D
SEMI-VOLATILE ORGANIC SUBSTANCES IN LIQUID AND SOLID EFFLUENTS
FROM ENERGY-RELATED PROCESSES
Page
Part I: Samples from Oil-Shale Processing 402
Part, II: Samples from Low Btu Gasification of Rosebud Coal. . 412
Part III: Samples from In Situ Coal Gasification in
Gillette, WY 426
Part IV: Samples from In Situ Coal Gasification in Hanna, WY. 459
401
-------
Table Dl.
SEMI-VOLATILE ORGANICS IN LIQUID SAMPLE FROM 150 TON RETORT
IN SITU OIL-SHALE PROCESSING (LERC, ERDA)
Elution
Temp .
97
99
99
100
101
103'
104
104
105
107
107
110
112
115
117
119
122
123
128
129
131
131
132
Compound
n-butanal
benzene
CrH,^0 isomer
5 10
isopropyl methyl ketone
(tent. )
ji-pentanal
CgH isomer
2-ethyl-l-hexanethiol (tent.)
ClnH_n isomer
toluene
n-hexanal
n-undecane
C9H18 lsoraer
C H 0 isomer (tent. )
o Ib
C ^H isomer
n-heptanal
cyclop en tanone
2-n-pentylfuran
C12H24 isomer
2-octanone
n-octanal
cyclohexanone
C, -,H,.0 isomer
1 J _O
C.. 0H^^ isomer
13 26
ppb
NQ
12
T
T
9
T
29
19.8
T
114
18
T
T
5.4
165
57
T
27
1
T
T
T
T
Elution
Temp.
133
137
138
141
142
143
148
152
155
161
162
176
189
215
216
222
223
224
228
229
230
231
234
Compound
C.. oH,,,, isomer
unknown
C, ..H-,. isomer
13 26
2-nonanone
n-nonanal
^TA^n isomer
C14H28 isomer
n-decanal
2-decanone
benzaldehyde
C15H30 isomer
acetophenone
d^-nitrobenzene (e5)
cresol isomer
phenol
C?-alkyl phenol isomer
dimethylphenol isomer
cresol isomer
C^-alkyl phenol isomer
C -alkyl phenol isomer
dimethylphenol isomer
dimethylphenol isomer
ethylphenol isomer
ppb
T
NQ
T
T
75
39
38
48
T
20
33
13
13
T
237
T
1011
720
T
T
189
309
321
402
-------
O
U)
Mass Spectrum No.
i™r T-|- r r r -i
Figure Dl. Profile of semi-volatile acid fraction from aqueous boiler blow-down
sample obtained during in situ oil-shale processing.
-------
-C-
o
'i r n o g 7 <; ,j
Mass Spectrum No.
Figure D2. Profile of semi-volatile basic fraction from aqueous boiler blow-down
sample obtained from in _situ oil-shale processing.
-------
Table D2. SEMI-VOLATILE ORGANICS IN AQUEOUS BOILER BLOW-DOWN SAMPLE FROM
IN SITU OIL-SHALE PROCESSING (OCC)
Elution Temperature
CO
93
98
100
102
104
105
107
107
108
109
109
110
112
115
115
116
120
122
127
128
131
134
136
140
144
146
149
154
155
156
160
163
165
168
170
170
170
171
172
173
174
176
176
178
178
Compound
co2
acetone
methyl ethyl ketone (tent.)
hydrocarbon (?)
n-butanal (tent.)
hydrocarbon (?)
hydrocarbon (?)
C.H -0 isomer + benzene
(tent.)
n_-pentanal (tent.)
toluene
a-methylbutyric acid
isopentanoic acid
aldehyde (tent.)
ii-hexanal (tent.)
n-pentanoic acid
2-methylpentanoic acid
B-methylpentanoic acid
C7H14°2 isomer
n-hexanoic acid
acid (?)
C-H, ,0- isomer
7 14 2
C-H ,0- isomer (tent.)
acid (?)
ri-heptanoic acid
acid (?)
2,4-dimethylheptanoic acid
unknown
n-octanoic acid
n-nonanal
3,5-dimethylheptanoic acid
acid (?)
3,5-dimethyloctanoic acid
acid (?)
n-nonanoic acid
C11H22°2 isomer
C7H1Q0 isomer
n-decanal (tent.)
unknown
C8H12° isomer
acid (?)
acid (?)
C?H1 _0 isomer (tent.)
C,H.O isomer (tent.)
o o
C7H1Q0 isomer (tent.)
acid (?)
ppb
NQ
NQ
T
NQ
NQ
NQ
NQ
T
T
T
1.8
4.2
0.6
1.2
3.6
3.0
3.3
3.6
5.4
NQ
1.8
4.2
NQ
54
NQ
52
NQ
115
9.6
4.8
NQ
34
NQ
132
2.4
1.2
1.8
NQ
7.8
NQ
NQ
1.8
10.8
45.6
NQ
Elution Temperature
CO
179
180
181
186
186
186
189
190
191
193
193
195
195
198
200
200
201
202
205
205
205
205
205
205
206
206
210
212
215
222
227
228
228
236
238
240
240
240
240
240
240
240
240
240
240
(continued)
405
Compound
acid (?)
CgH.._0 isomer
n-decanoic acid
3,5, 5-trimethyl-2-cyclo-
hexenone
acid (?)
benzoic acid
C0Hn 00 isomer
o LL
aldehyde (?)
acid (?)
cyclohexanedione (tent.)
n-undecanoic acid
C7Hj-02 isomer (tent.)
o^-toluic acid
acid (?)
hydrocarbon (?)
m- or £-toluic acid
C?H -0 isomer (tent.)
d --nitrobenzene (eS)
C7H._0 isomer (tent.)
C-H-O- isomer
CgR^O isomer
CgH160 isomer (tent.)
unknown
CgH.^0 isomer (tent.)
CnH ,0 isomer
unknown
toluic acid isomer
B-phenylpropionic acid
2,5-dimethyltoluic acid
C10H12°2 lsomer
dimethylphenol isomer
phenol
cresol isomer
dimethylphenol isomer
cresol isomer
C--alkyl phenol isomer
C,-alkyl phenol isomer (tent
dimethylphenol isomer
ethylphenol isomer
C--alkyl phenol isomer
CirlH ,0 isomer
10 16
dimethylphenol isomer
C^-alkyl phenol isomer
C--alkyl phenol isomer
C-H ,0 isomer (tent.)
ppb
NQ
0.9
123
10.2
NQ
115
2.4
NQ
NQ
1.2
1.8
1.5
3.0
NQ
NQ
15.6
1.2
0.9
T
T
T
NQ
2.1
1.8
NQ
2.7
1.2
10.8
1.8
3.0
459
T
552
561
19.2
) T
9.0
17.4
1.8
4.2
125
9
231
175
-------
Table D2 (cont'd)
Elation Temperature
240
240
240
240
240
240
240
240
240
Compound
C. -H.,0 isomer (tent.)
10 16
G_-alkyl phenol isomer
C^H-.O isomer (tent.)
11 18
C_-alkyl phenol isomer
C,-alkyl phenol isomer
alcohol (tent.)
C...Hn.O isomer (tent.)
lu lo
C,-alkyl phenol isomer
alkyl phenol (?)
ppb
T
107
T
T
1.2
NQ
17
8.4
37
Elution Temperature
(°C) Compound
406
-------
Table D3. SEMI-VOLATILE ORGANICS IN OMEGA-9 RETORT WATER FROM
IN SITU OIL-SHALE PROCESSING PRIOR TO STORAGE AT 75°F (LERC, ERDA)
Elution Temperature
93
95
97
98
99
100
101
101
102
106
108
109
110
111
112
115
116
120
122
131
135
137
138
141
142
143
146
147
148
148
151
154
155
155
156
157
159
160
161
162
163
163
165
166
Compound
co2
acetaldehyde
ethyl formate
acetone
ethyl acetate
methyl ethyl ketone
dimethyl ether
hydrocarbon (?)
C....H-- isomer
C11H24 isomer (tent.)
n-pentanal
a-methylbutyric acid
isopentanoic acid
toluene
n-pentanoic acid
n-hexanal
2-methylpentanoic acid
B-me thylpentanoic acid
n-hexanoic acid
C?H1402 (tent.)
n-heptanoic acid
methylpyridine
dime thy Ipyridine
acid (?)
C H N isomer
C H N isomer
o 11
2, 4-dimethylheptanoic
acid
unknown
n-octanoic acid
hydrocarbon (?)
dimethylpyridine isomer
trimethylpyridine isomer
n-nonanal
C0H,,N isomer
o 11
2, 4-dimethylheptanoic
acid
alkyl pyridine isomer (?)
CqH, _N isomer
acid (?)
alkyl pyridine isomer
C-H 0 isomer
3, 5-dimethvloctanoic acid
C H 0 isomer
o 1 Z
C H 0 isomer
C H N isomer
ppb
NQ
NQ
NQ
NQ
NQ
T
NQ
NQ
T
1.5
T
24
8
15
5
T
4
6
38
NQ
79
29
77
NQ
T
15
56
NQ
14
NQ
29
762
4
621
41
175
42
NQ
122
42
47
15
3
422
Elution Temperature
167
168
169
170
171
172
173
174
175
176
177
178
178
178
179
180
181
181
183
185
185
185
186
187
189
190
191
192
193
194
195
198
199
200
201
204
204
206
208
209
210
212
212
214
(continued)
407
Compound
C HN isomer
0 11
n-nonanoic acid
C-H ,0 isomer
C H 0 isomer
C0Hn -0 isomer
o 1Z
unknown
C0H, ,N isomer
0 11
C H ,0 isomer (tent.)
hydrocarbon (?)
C10H15N lsomer (tent-)
C H .0 isomer
acid (?)
cyanobenzene
C H N isomer
C0Hn N isomer
o 11
C0H100 isomer
0 LJ-
6-valero lac tone
benzoic acid
acetophenone
aldehyde (?)
CRN isomer
n-heptadecane
C H .N isomer
C H N isomer
C H _N isomer (?)
aldehyde (?)
acid (?)
unknown (lactone ?)
hydrocarbon
toluic acid
d--nitrobenzene (eS)
n-octadecane
ClgH36 isomer
hydrocarbon (? )
unknown
methylbenzoic acid
isomer
C18H36 ±somer
C ,qH-,Q isomer
C^-alkyl aniline isomer
methylbenzoic acid
isomer
n-nonadecane
dimethvlphenol isomer
S-phenylpropionic acid
C0-alkyl aniline
ppb
118
493
T
32
7
NQ
19
26
NQ
T
T
NQ
32
T
19
3
29
227
10
NQ
87
22
42
T
T
NQ
NQ
NQ
T
21
T
5
NQ
NQ
T
T
5
146
57
51
^
T
-------
Table D3 (cont'd)
Elution Temperature
215
215
216
217
217
218
221
223
224
227
228
229
230
230
230
Compound
2, 5-dimethytoluic acid
hydrocarbon (?)
aniline
C_-alkyl phenol isomer
unknown
C0H, ,N isomer
8 11
benzylamine
phenol
C0Hn1N isomer
o 11
dimethylphenol isomer
C0H., , N isomer
0 11
quinoline
unknown
cresol isomer
C H N isomer
ppb
17
NQ
497
T
NQ
55
377
461
62
15
T
99
NQ
779
T
Elution Temperature
230
232
233
234
234
237
238
240
240
240
240
240
240
240
Compound
dime thy Inaphthalene
isomer
ethylphenol isomer
methylquinoline isomer
n-CnnH.. isomer
— 21 44
C-H.. 0N isomer
9 13
C2-alkyl phenol
C -alkyl phenol
C. -alkyl quinoline
(tent.)
dibenzof uran
f luorene
anthracene or phen-
anthrene
C16H14 isomer
-~C22H46 (tent-)
C_-alkyl quinoline
ppb
199
69
41
38
11
T
T
T
29
7
188
T
T
T
408
-------
3 It r i ri u --
>-,
i j
•H
CO
C
0)
4-J
a
H
£< E r> ci 0 0 -
0)
5-1
3 "
C
O
M
nj 1 0 n 1 1 () —
4J
0
H
0)
•H
JJ
cd
r™|
0)
fyj [j -
r (i o
i
g
^^-^Jl
[i 7 0
i
i , 'I
1 Jl 9 0 1 2 L6V J
V.,.. ._._........_.. .^ _fl ^ J.,_i v ..,J»^-'''P'yV
r^iri'jp]ifiip|n|iiiT|nriiri'ri'|riT'rii'i'i(i
c: 0 r 1 0 0 7150 7 i:: 0 0 7 £ 5 C
R
2 It 25
'Xr- ' "
7 3 0 0
'3 37
1
l1
32
1 3«
- 5 f
,| f," " M.E
el I
,f ', /i,!!1,
,30 i J; v I/?, '
1, f- ^' L>' ,5 ^7
V5J - ^-^AJ ^^
I""!"1? "l "I1 • "i •")" 'i " l""i-"'[ ""!• »n»|""""7 "'""i" 'i""|"'T
7.-.':. n P'lOn
Mass Spectrum No.
Figure D3 Profile of semi-volatile organics in neutral fraction of Omega-9 retort water
(after incubation) from in situ oil-shale processing (LERC, ERDA).
-------
•H
tn
0)
4J
C
fl
a)
a
a
o
i (i on ii--
O
H
rt
rH
-------
3 i.i n (to ---
4-1
•H
to
PS
01
4-1
a
M
PS
0)
S-i
M
0
PS
O
-P-H
h-1
i f j— j i fi (i fr fi —
n) " " .
4-1
O
H
0)
•H
4-1
n)
rH
a) n.
c
it
i 2 fl t e
, VS^-rr-;;;- ,,„„-, , „, ,, ,„ „? ^::V;-^;;
i
I
1
1
FIT
1
•'F
J\;
2
ii
I
|5 20
'i
2
\ J
t
10
[1
*
B
f:
|9
ll
ll|
3 In
II 51
f- • ;•;, -.',)\V\" ..
jk ' \l,'yy' -V.'-' '-"'-n- ••"-^..--, .-_...
Pi
f:. i.i E ii
g inn
Mass Spectrum No.
Figure D5 . Profile of semi-volatile organics in basic fraction of Omega-9 retort water
(after incubation) from in situ oil-shale processing (LERC, ERDA).
-------
Table D4. SEMI-VOLATILE ORGANICS IN OMEGA-9 RETORT WATER FROM
IN SITU OIL-SHALE PROCESSING AFTER STORAGE AT 75°F
Elution Temperature
92
95
97
99
101
101
102
106
111
111
122
126
129
135
135
136
141
142
143
148
148
148
151
153
154
157
157
159
161
162
162
163
165
165
166
167
169
170
170
171
173
174
175
176
177
178
FOR 2
Compound
co2
acetaldehyde (tent.)
ethyl formate
ethyl acetate
dimethyl ether
hydrocarbon (?)
C10H22 isomer
C. H,, isomer (tent.)
ji-pentanoic acid
toluene
n-hexanoic acid
acid (?)
C_H ,0- (acid) isomer
n-heptanoic acid
methylpyridine isomer
dimethylpyridine isomer
acid (?)
CyHgN isomer
CQH N isomer
o 11
n-octanoic acid
hydrocarbon (?)
unknown
dimethylpyridine isomer
trimethylpyridine isomer
C0H. ,N isomer
0 11
acid (?)
alkyl pyridine isomer
CgH. -N isomer
alkyl pyridine isomer
C-H ,0 isomer
acid (?)
C0H, 00 isomer
o 1Z
CgH.j,0 isomer
CQH -0 isomer + unknown
0 Ll.
CgH N isomer
CQH N isomer
0 11
CgtL ,0 isomer
CyH. -0 isomer
C10H15N isomer
C.H 0 isomer
o Li
CQH N isomer
0 11
CgH 0 isomer (tent.)
hydrocarbon (?)
C^gH- (.N isomer (tent.)
CgH-.,0 isomer
cyanobenzene
MONTHS (LERC, ERDA)
ppb
NQ
NQ
NQ
NQ
NQ
NQ
T
0.7
1.3
T
20
NQ
T
53
28
64
NQ
T
9.6
8.4
NQ
NQ
13
555
406
NQ
176
34
118
33
NQ
13
T
T
383
95
T
29
15
3
8.4
25
NQ
T
13
20
Elution Temperature
178
178
179
180
181
181
183
183
185
185
187
189
190
192
193
194
195
198
199
201
204
204
206
208
209
210
212
214
215
215
215
217
217
218
219
220
221
223
223
223
224
225
227
228
229
229
(continued)
Compound
C7H14°2 or C6H10°2 lsolner
CqH_ _N isomer
CoH-.-.N isomer
o 11
CQH 70 isomer
0 LJ.
S-valerolactone
benzoic acid
acetophenone
C9H13N isomer
n-hep tadecane
CqH- _N isomer
C10H15N isomer
CgH -N isomer
o-methylbenzoic acid
unknown ( lac tone ? )
hydrocarbon (tent. )
£-toluic acid
d -nitrobenzene (eS)
n-octadecane
C-i oH0/. isomer
18 36
unknown
methylbenzoic acid isomer
C18H36 lsomer
C H „ isomer
0,,-alkyl aniline isomer
methylbenzoic acid isomer
n-nonadecane
dimethylphenol isomer
C_-alkyl aniline isomer
C19H38 isomer
hydrocarbon (?)
aniline
C, -alkyl phenol isomer
unknown
C0H N iaomer
o 11
n-Cj-H,- isomer
C0H N isomer
0 11
benzylamine
cresol isomer
phenol
methylaniline isomer
C-H N isomer
o 11
CgH13N isomer (tent.)
C0HnlN isomer
o 11
C0H,,N isomer
o 11
quinoline
unknown
ppb
57
T
16
2.4
16
111
T
79
T
35
T
T
4.2
NQ
T
30
T
10
NQ
T
T
T
154
T
25
34
T
T
NQ
432
T
NQ
46
23
93
228
94
293
47
51
43
34
T
71
NQ
412
-------
Table D4 (cont'd)
Elution Temperature
229
230
230
230
230
231
234
234
234
235
235
237
237
238
238
239
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
Compound
n-C-.H, , isomer
— 20 42
C, ,H, , isomer
15 12
CqH1 .,N isomer
dimethylnaphthalene isomer
ethylphenol isomer
methylquinoline isomer
n-C_.H, . isomer
— 21 44
CgH- ^N isomer
C.-alkyl phenol isomer
C^-alkyl phenol isomer
C0H, , N isomer
o 11
C.-alkyl phenol isomer
methylquinoline isomer
C,.-alkyl phenol isomer
C_-alkyl phenol isomer
Cn-alkyl phenol isomer
C^-alkyl quinoline isomer
(tent.)
C.-alkyl phenol isomer
cresol isomer
C^-alkyl phenol isomer
C^-alkyl naphthalene isomer
C^-alkyl phenol isomer
tri-sec-butyl phenol isomer
(tent.)
C_-alkyl phenol isomer
C^-alkyl naphthalene isomer
dibenzofuran
fluorene
anthracene or phenanthrene
C.,HIQO (hydroxyfluorene ?)
C,,H, , isomer
16 14
n-C..,H, , (tent.)
— 22 46
C,,-alkyl quinoline isomer
C?-alkyl quinoline isomer
ppb
T
69
43
189
68
70
34
9
T
9
8.4
14
T
T
T
337
T
17
35
17
9
46
17
8.4
2.4
10
3
154
47
T
T
T
T
Elution Temperature
(°C) Compound
413
-------
T^ble D5. SEMI-VOLATILE ORGANIQS IN AQUEOUS CONDENSATE (-1L) FROM
LOW BTU GASIFICATION OF ROSEBUD COAL (MERC, ERDA)
Elution
93
100
100
100
101
101
102
103
104
105
106
111
113
114
119
120
123
124
124
126
127
127
129
130
134
134
135
137
137
139
140
141
143
144
145
146
147
148
148
150
152
154
155
157
158
Temp era Cure
) Compound
co2
acetaldehyde
n-propanal
ethyl formate
ethyl acetate
n-butanal
n-nonane
C H - isomer
benzene
n-decane
—
hydrocarbon
toluene
C11H24 isomer
unknown
ethylbenzene
m or _p_-xylene
C.,H, ,0 isomer
7 14
n-dodecane
o-xylene
cyclop en tanone
2-raethylcyclopentanone
n-propylbenzene
ethyl toluene isomer
C H?, isomer
styrene
C --alkyl benzene isomer
C.-alkyl benzene isomer
n-tridecane
C -alkyl benzene isomer
C13H26 lsomer
C13H2g isomer
C.-alkyl benzene isomer
C_ _H0, isomer
1 J ib
C. , H_n isomer
14 30
C -alkyl benzene isomer
C H 0 isomer (tent.)
C .-alkyl benzene isomer
methylstyrene isomer
C7H ° isoraer (tent.)
n-tetradecane + C_H isomer
C -alkyl benzene isomer
(tent.)
ethyls tyrene isotner (tent.)
n-butylbenzene
C H-,. isomer
U Zo
C--alkyl benzene isomer
PP.
NQ
NQ
NQ
0.8
1.2
NQ
3.1-
T
275
0.6
T
T
T
NQ
T
1.2
T
3.0
3.6
T
0.7
T
6.6
T
T
T
0.6
7.8
1.2
T
T
T
I
T
1.8
T
T
T
T
16.2
T
T
T
T
T
Elution Temperature
CC)
158
163
164
164
165
16(5
166
166
167
168
168
171
173
175
17-7
178
179
180
181
182
184
185
187
188
190.
191
192
192
193
193
194
196
197
198
199
202
203
206
207
212
213
216
216
(continued)
414
Compound
C.-alkyl benzene isomer
n-pentadecane
C .H,, isomer
saturated kecone
indene
C.-alkyl benzene Isomer
C(.-alkyJ. benzene isomer
C-H 0 isomer
o 1Z
benzofuran + C^R..- isomer
C Hn, + C-H..O isomers
11 14 9 14
phenylhexane isomer
C, -alkyl benzene isomer
o
ketone (?)
ketone (?)
ri-hexadecane
1-methyl- 1H- indene
2-methylbenzof uran
methylindene Isomer
eyanoben^ene
phenylheptane isomer
ketone (?)
C H + C -alkyl benzene
isomers
acetophenone
1-ethylindan
CllV lsomer
C10H14 isomer
me thy 1-1 , 2-dihydronaphthalene
isomer
Cn -H.. 0 isomer
U J,o
unknown
dimethylbenzofuran isomer
methyl-1 , 2-dihydronaphthalene
isomer
phenyl-n-octane
C H-_ isomer
d^-nitrobenzene (eS)
naphthalene
methyl.ace tophenone isomer
C H isomer
1Z ID
2 , 3-benzothiophene
C H isomer
J.Z ID
methylnaphthalene isomer
Cn,Hno isomer
l J lo
dimethylphenol isomer
methylnaphthalene isomer
ppb
0.8
1.2
T
T
210.8
2.4
T
T
129.6
T
1.2
1.5
NQ
NQ
1.2
T
1.6
T
7.8
T
NQ
T
9.0
T
T
T
T
T
NQ
T
T
T
,T
454
4.2
T
1.8
T
715.6
3
T
117.4
-------
Table D5 (cont'd)
Elution Temperature
(°C)
219
221
222
224
22A
225
225
226
228
229
230
230
231
231
233
233
234
235
236
236
237
238
239
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
Compound
tetramethylindanone (tent.)
methylethylphenol Isomer
ethylnaphthalene isomer
dimethylnaphthalene isomer
cresol isomer
phenol
C^-alkyl phenol isomer
biphenyl
dimethylnaphthalene isomer
C, -alkyl phenol isomer
indan-1-one (tent.)
C -alkyl phenol isomer
ethylphenol isomer + C--alkyl
naphthalene
dimethylphenol isomer
C. -alkyl phenol isoraer
cresol isomer
cresol isomer
C.-alkyl naphthalene isomer
C -alkyl phenol isomer
Cj-alkyl phenol isomer
C -alkyl phenol isomer
methylbiphenyl isomer
C^-alkyl phenol isomer
C ..-alkyl naphthalene
dimethylphenol isomer
C,-alkyl phenol isomer
ethylphenol isomer
dimethyl phenol
ethylphenol isomer
C--alkyl phenol isomer
CL-alkyl phenol isomer
acenaphthene
C, -alkyl phenol isomer
biphenylene
sec-butyl phenol isomer
trimethylnaphthalene isomer
dibenzof uran
f luorene
ppb
1.8
2.1
T
T
147
10
1.3
T
2.4
T
T
0.6
T
T
30
186
129
T
25
T
T
T
1.7
0.6
1.3
T
28.8
70
9.6
T
T
T
T
0.9
1.2
1.6
1.8
1.7
Elution Temperature
( C) Compound
415
-------
Table D6. SEMI-VOLATILE ORGANICS IN AQUEOUS CONDENSATE (-2L)
FROM LOW BTU GASIFICATION OF ROSEBUD COAL (MERC, ERDA)
Elution
Temperature
92
95
97
97
99
100
100
101
102
103
103
104
105
106
106
109
110
111
113
114
115
116
119
119
121
122
123
124
126
126
127
129
130
131
131
132
132
133
134
136
138
138
140
141
143
Compound
co2
acetaldehyde
acetone
ethyl formate
n-butanal
methyl ethyl ketone
ethyl acetate
hydrocarbon (? )
dimethyl ether
n-nonane (tent. )
benzene
n-pentanal
n-decane
C,H..-0 isomer
O LL
hydrocarbon (?)
toluene
n-undecane
n-hexanal
C. . H__ isomer
ethylbenzene
xylene isomer
n-dodecane
C -H- , isomer
C H , isomer
n-propylbenzene
ethyltoluene isomer
C,,H,-0 isomer (tent.)
o 10
n-tridecane
C- nH.-,. 4- C, -alkyl benzene
isomers
trimethylbenzene isomer
C. .H-.. isomer
XJ Zo
trimethylbenzene isomer
C14H28 1SOmer
C, -alkyl benzene isomer
2-octanone
C, -alkyl benzene isomer
n-butylbenzene
C13H24 lsomer
C -alkyl benzene isomer
methyl-n_-propylbenzene isomer
trimethylbenzene isomer
n-tetradecane
C. -alkyl benzene isomer
C, -alkyl benzene isomer
C H ,0 isomer
ppb
NQ
NQ
NQ
T
NQ
T
NQ
9
NQ
T
200
NQ
10
T
T
180
15
T
T
T
T
145
T
234
18
T
T
396
T
T
T
7.5
T
T
19.5
T
T
T
T
T
T
T
T
I
T
Elution
Temperature
143
144
145
146
146
147
148
148
150
150
152
157
158
159
160
160
162
163
163
164
165
165
167
170
171
172
173
174
175
177
178
178
179
180
183
184
185
186
186
188
188
190
190
193
(continued)
Compound
indan
C,-alkyl benzene isomer
CnH100 isomer
y lo
raethylindan isomer
n-pentylbenzene
C15H30 isomer
C.H-0 isomer
0 o
C, -alkyl benzene isomer
C, -alkyl benzene isomer
C^-alkyl benzene isomer
C, -alkyl benzene isomer
C_H 0 isomer
methylindan isomer
C,.-alkyl benzene isomer
C10H20° + C4~allcS'1 benzene
isomers
Indene
methylindan isomer
benzofuran
C..H-- isomer (tent.)
C0H, „ isomer
o iz
C11H14 isomer
C,-alkyl benzene isomer
benzaldehyde
C7H_Q0 isomer
C- -H- ., isomer
IZ 10
CQH- 00 isomer
0 iZ
C11H14 isomer
methylindene isomer
methylbenzofuran isomer
methylindene isomer
cyanobenzene
phenyl-n-heptane
C-...H, , isomer
IZ ID
C., ,H_ . isomer
11 14
acetophenone
C.-alkyl indan isomer
C -alkyl indan isomer
C H - isomer
C -alkyl indan isomer
C1 1 HI „ isomer
C,,H isomer (tent.)
1J 1C
dimethylbenzofuran isomer
(tent.)
C. .H - isomer
C.. ..H.. _ isomer
ppb
10.5
T
19.5
T
T
T
9
I
T
T
T
T
T
T
63
108
T
T
T
27
T
T
T
54
18
10.5
T
9
21
18
T
T
I
54
18
12
T
T
9
T
T
27
28
10
416
-------
Table D6 (cont'd)
Elution
Temperature
193
194
196
197
197
199
200
202
203
205
208
209
211
213
216
216
217
219
221
221
222
223
223
223
224
225
225
227
227
228
230
230
231
231
232
232
233
233
235
236
237
239
240
240
Compound
phenyl-a-octane
C --alkyl benzene isomer
o
d, -nitrobenzene (eS)
naphthalene
alkyl indan isomer
C. .H. , isomer
1Z lo
C -alkyl benzene isomer
2 , 3-benzothiophene
C,0H1, isomer
1Z lo
C14H20 isomer
methylnaphthalene isomer
C13H18 1SOmer
dimethylphenol isomer
methylnaphthalene isomer
pentamethylindan isomer
C.-alkyl phenol isomer
Cp-alkyl indan isomer
ethylnaphthalene isomer
cresol isomer
dimethylnaphthalene isomer +
phenol
C.-alkyl phenol isomer
o-cresol
biphenyl
dimethylnaphthalene isomer
dimethylnaphthalene 4- C, -alkyl
phenol isomers
C -alkyl phenol isomer
C -alkyl naphthalene isomer
ethylphenol isomer
dimethylnaphthalene isomer
C -alkyl phenol isomer
dimethylphenol isomer
ethylphenol isomer
cresol isomer
C, -alkyl naphthalene isomer
C--alkyl naphthalene isomer
methylbiphenyl or C^-H^ isomer
C, -alkyl phenol isomer
ethylphenol isomer
C -alkyl phenol isomer
C--alkyl phenol isomer
C -alkyl phenol isomer
C -alkyl naphthalene isomer
acenaphthene
ppb
T
T
1410
T
11
9
189
T
T
870
465
T
414
T
54
T
11
T
288
144
2535
9
345
T
45
T
135
T
825
T
T
960
T
T
930
T
T
T
45
72
18
T
9
Elution
Temperature Compound
240 C^-alkyl phenol isomer
240 C3~alkyl phenol isomer
240 C, -alkyl phenol isomer
240 C -alkyl naphthalene isomer
240 C^-alkyl phenol isomer +
biphenylene (tent.)
240 C.-alkyl phenol isomer
240 C.-alkyl phenol isomer
240 C.-alkyl naphthalene isomer
240 C.-alkyl phenol isomer
240 C -alkyl naphthalene isomer
240 C.-alkyl phenol isomer
240 fluorene
240 anthracene or C,.H,_ isomer
14 10
ppb
T
T
T
T
T
T
T
T
T
T
T
T
T
417
-------
Table D?. SEMI-VOLATILE ORGANICS IN TAR (-3T) FROM
KNOCK-OUT CHAMBER DURING LOW BTU GASIFICATION OF
ROSEBUD COAL (MERC, ERDA)
Elution Temperature
92
97
99
101
101
102
105
109
110
113
117
118
118
123
128
129
131
134
135
138
139
141
142
143
144
145
146
147
148
148
150
151
152
153
154
156
156
157
158
161
162
163
163
Compound
co2
acetone
C,HD0 isomer
H 8
hydrocarbon (?)
C10H22 isomer
n-pentanal
n-decane
toluene
C11H24 isomer
n-undecane
C. ,H«« isomer
11 22
C^-alkyl benzene isomer
(dent.)
C H26 isomer (tent. )
n-dodecane
C -alkyl benzene isomer
C12H24 lsomer
C -alkyl benzene isomer
C, -alkyl benzene isomer
n-tridecane
C,-alkyl benzene isomer
n-butylbenzene -H C- H_,
isomer
C. -H-., isomer
1J Zo
C. /H-_ isomer
trimethylbenzene isomer
C14H30 is°mer
C, -alkyl benzene isomer
C. -alkyl benzene isomer
C, -alkyl benzene isomer
n- tetradecane
n-nonanal
C -alkyl benzene isomer
methylindan + C-.H™,, isomers
CL-alkyl benzene isomer
n-pentylbenzene
C14H28 isoraer
C. -alkyl benzene isomer
C, -alkyl benzene isomer
C -alkyl benzene isomer
C14H28 lsomer
ji-pentadecane
n-decanal
indene
C -alkyl benzene isomer
ppm
NQ
NQ
NQ
T
T
NQ
T
T
T
T
T
T
T
530
40
160
T
T
570
T
T
70
T
10
T
T
T
T
460
T
T
T
T
T
T
T
T
T
T
T
T
T
T
Elution Temperature
164
165
167
168
170
172
173
174
176
177
178
178
180
181
183
185
185
186
186
187
188
188
189
191
192
193
193
195
196
198
199
200
201
202
204
207
207
209
212
214.
217
220
Compound
C, ., H., . isomer
11 14
phenyl-n-hexane
C,,Hn. isomer
11 14
C, -alkyl benzene isoraer
o
hydrocarbon (?)
C, -alkyl benzene Isomer
o
C -alkyl indan isomer
n-hexadecane
methylindene isomer
C12H16 is°mer
C..H,, isomer
11 14
methylindene isomer
trimethylindan isomer
C--alkyl benzene + C,,H. .
7 11 14
isomers
C, _H, „ isomer
-LJ io
C11H14 isomer
C12H16 iS°mer
C17H34 isomer
C._H.0 isomer (tent.)
J--J lo
C. -H- ,. isomer
dimethylbenzofuran isomer
C,nH, ft + C,,H, „ isomers
13 18 11 12
dimethylbenzofuran isomer
methyldihydronaphthalene
isomer
phenyl-n-octane + C ?H -
isomer
C H isoraer
C0-alkyl benzene isomer
o
d --nitrobenzene (e§)
5
naphthalene
C11H12 isomer
trimethyl indan isomer
C._H10 isomer (tent.)
1J J.O
C14H20 lsomer
2 , 3-benzothiophene
C13Hlg isomer
n-nonadecane
methylnaphthalene isomer
n-C H , _ isomer
methylnaphthalene isomer
pen tame thy 1 indan isomer
C19H38 isomer
S-C12H42 isomer
PPm
T
T
T
T
T
T
T
T
190
T
T
T
T
I
T
T
T
T
T
T
T
T
T
T
T
T
T
2670
T
T
T
T
T
T
525
411
T
230
150
T
T
(continued)
418
-------
Table D7 (cont'd)
Elution Temperature
(°C)
220
222
222
223
224
225
228
231
232
232
232
233
233
235
238
239
239
240
240
240
240
240
240
240
240
240
240
240
240
240
Compound
dimethyl-naphthalene isomer
phenol
biphenyl
dimethylnaphthalene isomer
dimethylnaphthalene isomer
C12H40 isomer
dimethylphenol isomer
cresol isomer
-~C21H44 isomer
C -alkyl naphthalene isomer
C -alkyl naphthalene isomer
C14H40 isomer
C-,H,_ isomer
21 42
C -alkyl phenol isomer
ethylphenol isomer
acenaphthene
C--alkyl phenol isomer
C_-alkyl phenol isomer
ethylphenol isomer
n-C--H,, isomer (tent.)
— LL 4b
trimethylnaphthalene isomer
biphenylene
trimethylnaphthalene isomer
dibenzof uran
fluorene
C13H10° lsomer (tent-)
C13H10° isomer (tent-)
C--alkyl phenol isomer
C_-alkyl phenol isomer
C_-alkyl naphthalene isomer
ppm
I
T
T
T
160
T
1490
T
1710
10
13
12
10
17
T
T
T
T
T
T
T
T
T
T
T
T
T
T
T
T
Elution Temperature
( C) Compound ppm
419
-------
Table D8. SEMI-VOLATILE ORGANICS IN AQUEOUS CONDENSATE (-4L) DURING
LOW BTU GASIFICATION OF ROSEBUD COAL (MERC, ERDA)
Elution
92
95
97
98
99
99
99
101
103
103
104
104
105
105
106
108
109
111
111
116
118
119
122
123
124
125
126
128
128
129
131
131
135
136
139
143
144
146
149
149
152
153
154
156
156
Temperature
) Compound
co2
acetaldehyde
ethyl formate
C1(.H?« isomer
n-nonane
ethyl acetate
aldehyde (?)
C H22 isomer
dimethyl ether
C11H24 lsomer
CI-.H_,) isomer
C- ~H«, isomer
I/ Zb
ri-decane
C13H28 lsomer
C11H24 lsomer
C10H20 isomer
toluene
n-undecane
C,H., nO isomer
o 12
ethylbenzene
xylene isomer
C13H28 isomer
2-heptanone
n-dodecane
cyclopentanone (tent. )
2-methylcyclopentanone
n-propylbenzene
ethyl toluene isoraer
C-H- _0 isomer
C12H24 isomer
C12H24 isomer-
C- -alkyl benzene isomer
octanone iaomer
n-tridecane
C, -alkyl benzene isomer
C^-alkyl benzene isomer
C., -alkyl benzene isomer
C, -alkyl benzene isomer
C,HQ0 isomer
O o
indan + n-tetradecane
C,--alkyl benzene isomer
C10H12 isomer
n-pentylbenzene
C -alkyl benzene isomer
C14H28 isomer
ppb
NQ
NQ
NQ
T
3
NQ
NQ
27
NQ
T
T
T
129
T
T
T
95
468
T
T
63
T
48
1420
56
72
T
6
T
51
T
T
T
2020
T
T
96
T
T
940
760
370
170
T
T
(cont
Elution Temperature
157
158
163
164
165
165
166
167
167
168
169
170
171
171
172
174
175
176
176
177
178
179
180
180
181
182
183
183
185
186
187
187
188
189
190
190
191
192
193
194
inued )
420
Compound
C, -alkyl benzene + C,--alkyl
benzene isomers
C15H30 iSOmer
C10H12 isomer
n-pentadecane
indene
C, -alkyl benzene isomer
C8H12° + C11H14 + C6~alky1
benzene isomers
benzofuran
methylindan isomer
phenyl-n-hexane
C.. .. H. , isomer
dimethylindan isomer
C.--alkyl benzene isomer
C15H30 isomer
C7H-Q0 isomer
C0tL .0 isomer
o 1Z
C ,_-alkyl benzene isomer
C11H14 isomer
C17H16 i-somer
n-hexadecane (tent . )
methylindene isomer
methylbenzofuran isomer
cyanobenzene + dimethylindan
isomer
methylindene isomer
phenyl-n-heptane
C, 0H_ , isomer
L
-------
Table D8 (cont'd)
•Elution Temperature
195
196
196
197
210
212
213
214
215
216
217
218
220
221
223
223
224
224
225
227
229
230
230
231
232
232
232
234
234
236
237
237
238
238
239
240
240
240
240
240
240
Compound
C-.IL- isomer
C^-alkyl benzene isomer
d. -nitrobenzene (eS)
naphthalene
methylnaphthalene isomer
C, -H., n isomer
13 18
C12H14 isonier
dimethylphenol +
methylnaphthalene isomers
C, ,H_0 isomer
13 18
C7 ,Hn_ isomer
14 20
C-, ,H., „ isomer (tent.)
13 12
pentamethylindan or tetra-
methylindanone isomer
C_-alkyl phenol isomer
ethylnaphthalene isomer
dimethylnaphthalene Isomer
cresol isomer
phenol
C.-alkyl phenol isomer
biphenyl
C^-alkyl naphthalene isomer
C.,-alkyl phenol isomer
ethylnaphthalene isomer
dimethylnaphthalene isomer
ethylphenol isomer
dimethylphenol isomer
C,-alkyl phenol isomer
cresol + C,-alkyl naphthalene
isomers
C~-alkyl naphthalene isomer
cresol isomer
C, _H, - isomer
13 12
C,-alkyl naphthalene isomer
C,-alkyl phenol isomer
dimethylnaphthalene isomer
C,-alkyl phenol isomer
C.-alkyl phenol isomer
C,-alkyl phenol isomer
C2-alkyl phenol + C3-alkyl
naphthalene isomers
ethylphenol + acenaphthene
C,-alkyl phenol + C,-alkyl
naphthalene isomers
C,-alkyl phenol isoraer
C~-alkyl naphthalene isomer
ppb
84
T
5700
2510
66
T
2440
T
T
T
100
42
30
110
4830
280
T
160
530
84
T
T
1360
4990
110
42
T
4490
T
T
36
T
90
30
21
12
110
T
T
T
Elution Temperature
(°C) Compound ppb
240 C3-alkyl phenol isomer T
240 C2-alkyl naphthalene isomer 230
240 dibenzofuran 72
240 fluorene 24
240 unknown NQ
421
-------
Table D9. SEMI-VOLATILE ORGANICS IN TAR (-5T) FROM KNOCK-OUT CHAMBER
DURING LOW BTU GASIFICATION OF ROSEBUD COAL (MERC, ERDA)
Elution Temperature
(°C)
92
97
98
114
124
162
195
196
209
213
216
219
221
221
Compound
co2
acetone
hydrocarbon (?)
n-dodecane
n-trldecane
CU-alkyl indan isomer + n-
pentylbenzene
d, -nitrobenzene (eS)
naphthalene
methylnaphthalene isomer
methylnaphthalene isomer
pentamethylindan isomer
C.-alkyl naphthalene isomer
ri-C2QH isomer
dimethylnaphthalene isomer
ppm
NQ
NQ
T
T
240
T
1300
350
100
T
T
11000
T
Elution Temperature
CO
222
224
225
226
229
231
232
234
237
238
239
240
240
240
Compound
phenol
biphenyl
dimethylnaphthalene ^isomer
dimethylnaphthalene isoraer
dimethylphenol isomer
cresol isomer
n-C,,., H, . isomer
— 21 44
C14H10 isomer
C~-alkyl phenol isomer
C2-alkyl phenol + CUHIO
isomer s
C,~alkyl naphthalene isomer
ethylphenol isomer
acenaphthene
-~C22H46
-------
Table D10. SEMI-VOLATILE ORGANICS IN AQUEOUS CONDENSATE (-6L) FROM
LOW BTU GASIFICATION OF ROSEBUD COAL (MERC, ERDA)
Elution Temperature
(°C)
92
95
97
97
99
101
102
104
196
200
223
224
231
Compound
co2
acetaldehyde
acetone
ethyl formate
ethyl acetate
dimethyl ether
C1QH22 isomer
hydrocarbon (?)
d -nitrobenzene (eS)
naphthalene
cresol isomer
phenol
ethylphenol isomer
ppb
NQ
NQ
NQ
1200
NQ
NQ
T
T
1500
35000
41000
5000
Elution Temperature
(°C)
232
233
237
238
239
240
240
240
240
240
240
240
Compound
dimethylphenol isomer
cresol isomer
C^-alkyl phenol isomer
C-j-alkyl phenol isomer
dimethylphenol isomer
C--alkyl phenol isomer
C.-alkyl phenol isomer
C,,-alkyl phenol isomer
C^-alkyl phenol isomer
C.,-alkyl phenol isomer
C,-alkyl phenol + C.-alkyl
naphthalene isomers
C,-alkyl phenol isomer
ppb
28800
29500
T
T
T
T
11000
10800
T
1000
200
160
423
-------
^..^Jjuw"
Mass Spectrum No.
Figure D6. Profile of semi-volatile organics in neutral fraction of tar condensate
(-7T) from low btu Rosebud coal gasification (MERC, ERDA).
-------
c
Q)
c
0)
i-i
M
CJ
C
o
cfl I oniifi-
o
H
01
cs
iH
0)
0 P 5 n
CI (:• 0 0
n 6 5 0 0 P 0 0 (i r S 0
Mass Spectrum No.
r'i '"i""1" r'T"1! :>
(i-i in' Cil":. P
Figure D7 . Profile of semi-volatile organics in basic fraction of tar-condensate (-7T) from
low btu gasification of Rosebud coal (MERC, ERDA).
-------
Table Dll. SEMI-VOLATILE ORGANICS IN TAR (-7T) FROM KNOCK-OUT CHAMBER
DURING LOW BTU GASIFICATION OF ROSEBUD COAL (MERC, ERDA)
Elution Temperature
92
97
101
101
104
105
107
108
109
110
113
117
118
119
122
124
127
127
128
129
130
131
133
134
136
138
140
141
142
143
144
145
146
146
147
148
149
152
152
153
154
154
155
Compound
co2
acetone
C,HgO isomer
hydrocarbon (?)
n-pentanal
n-decane
C10H20 isomer
C. ,H_ , isomer
toluene
CUH24 isomer
n-undecane
C H22 isomer + ethylbenzene
C .H,,- isomer
C12H24 isomer
C,^Hn. isomer
12 24
n-dodecane
CgH.,0 isomer + ji-propylbenzene
C12H24 lsomer
ethyltoluene isomer
C. 0H0. isomer
1Z 24
C, nHr,,-, isoraer
U zo
ethyltoluene + C__H^, isomers
C_-alkyl benzene isomer
C, -alkyl benzene isomer
n-tridecane
C, -alkyl benzene isomer
n-butylbenzene
C13H26 isomer
C-,,H0, isomer
1J Zo
C, -alkyl benzene isomer
trimethylbenzene + C.. , H^o
isomers
C, -alkyl benzene isomer
C- -.H-,. isomer
U Zo
C,~alkyl benzene isomer
C, -alkyl benzene isotrer
C- /H.Q isomer
n-tetradecane
C--alkyl benzene isomer
Cj~H isomer
C_-alkyl benzene isomer
n-pentylbenzene + C ,H9fl
isomer
C15H30 isomer
C^-alkyl benzene isomer
ppm
NQ
NQ
T
NQ
NQ
20
T
T
465
T
1650
T
230
210
T
6560
760
T
T
2100
410
120
T
T
12100
T
50
T
2050
2270
1880
T
T
T
20
12270
110
90
3080
590
T
210
Elution Temperature
156
157
158
159
160
163
164
165
166
166
167
168
169
170
172
173
175
176
176
178
179
180
180
181
181
183
183
185
185
186
186
187
187
188
189
190
190
191
192
(continued)
426
Compound
C. -alkyl benzene isomer
C4-alkyl benzene isomer
C_-alkyl benzene isomer
C, -alkyl benzene isomer
C15H30 isomer
ri-pentadecane + methylindan
isomer
indene
C,-alkyl benzene isomer
C« -alkyl indan isomer
C, -alkyl benzene isomer
o
C10H12 isoraer
phenyl-n-hexane
15 30
C, -alkyl benzene isomer
C -alkyl benzene isomer
C15H30 :i-somer
C5-alkyl benzene + C H-,
isomers
C.. «H- , isomer
12 16
C16H34 + C11H14 isomers
methylindene isomer + n-
hexadecane
C.-alkyl benzene + C. 0H_ ,
/ 1Z _Lo
isomers
C11H12 (tent-^ + alky! indan
isomers
methylindene isomer
C-.,H00 isomer
16 32
trimethylindan isomer -f
pheny 1-n-hep tane
C11H14 isomer
C_-alkyl benzene isomer
Cg-alkyl benzene isomer
C.. ,.,H. , isomer
C13H18 isomer
Cg-alkyl benzene isomer
C- _H, 0 isomer
U J.O
C11H14 isomer
CUH16 isomer
dimethylbenzofuran isomer
trimethylindan isomer
C H-2 isomer
C13H18 lsomer
dimethylbenzofuran isomer
ppm
2050
410
1960
460
T
3590
7100
550
T
320
380
3150
s 760
2310
630
550
140
T
T
4250
160
470
8250
2310
730
T
325
150
T
T
T
2190
420
T
T
1570
T
5130
7770
-------
Table Dll (cont'd)
Elution Temperature
193
194
195
196
197
197
138
199
201
202
203
205
206
206
207
208
211
211
212
213
215
218
221
223
225
227
228
231
232
232
233
234
235
237
238
239
240
240
240
240
240
Compound
C13H18 isomer
C H isomer
phenyl-n-octane
methyldihydronaphthalene
isomer
Cg-alkyl Benzene isomer
d,--nitrobenzene (eS)
naphthalene
ti-octadecane
C.j .. H. 2 isomer
C12H16 i30mer
C -alkyl benzene + alkyl indan
(tent.) isomers
2 , 3-benzo thibphene
C.,H , or C. .H .0 isomer
12 16 11 12
C14H20 isom6r
tetramethylindan or C H „
isomers + phenyl-n-nonane
C-, iH.. o isomer
13 18
methylnaphthalene isomer
n-nonadecane
C14H20 i30mer
methylquinoline (tent.) +
alkyl indan isomers
methylnaphthalene isomer
pentamethylindan isomer
ethylnaphthalene isomer
dimethylnaphthalene isomer
biphenyl
dimethylnaphthalene isomer
dimethylnaphthalene isomer
ethylnaphthalene isomer
dimethylphenol isomer
dimethylnaphthalene + cresol
isomers
C, -alkyl naphthalene isomer
-~C20H42 isomer
C--alkyl naphthalene isomer
methylbiphenyl isomer
isopropylnaphthalene isomer
trimethylnaphthalene isomer
C, -alkyl naphthalene isomer
C, -alkyl naphthalene isomer
C--alkyl naphthalene isomer
C^-alkyl phenol isomer
acenaphthene
ppm
1710
T
230
2810
5100
21350
T
480
2410
2370
1880
1410
T
1550
T
16410
12110
370
210
17200
6270
4030
8150
8210
1760
18230
710
2760
2100
550
510
3870
410
1780
470
T
430
T
2190
4380
Elution Temperature
(°C) Compound
isothermal C, -alkyl naphthalene isomer
C. -alkyl naphthalene isomer
C^-alkyl naphthalene isomer
C, -alkyl naphthalene isomer
biphenylene
Cc-alkyl naphthalene isomer
C, -alkyl naphthalene isomer
C2fH42 isomer
dibenzofuran
C,,H,^ isomer (tent.)
f luorene
C H Q0 isomer (tent.)
ppm
T
140
1210
T
290
T
7810
T
4030
T
470
1890
427
-------
Table D12. SEMI-VOLATILE ORGANICS IN WATER (-1L) FROM DEWATERING WELL #5
PRIOR TO IN SITU COAL GASIFICATION (LLL, ERDA)
Elution Temperature
Cc)
92
97
98
99
100
101
103
104
105
110
112
Compound
CO,
acetone
ethyl formate
n-butanal (tent.)
ethyl acetate
hydrocarbon (?)
benzene
n-decane
C5H100 isomer
toluene
n-hexanal
ppb
NQ
NQ
33
T
300
NQ
T
T
6
6
120
Elution Temperature
(°C)
197
225
227
232
234
235
237
239
240
240
240
Compound
d -nitrobenzene (el)
phenol
ethylphenol isomer
dime thy Iphenol isomer
cresol isomer
C,,-alkyl phenol isomer
C,-alkyl phenol isomer
dimethylphenol isomer
C^-alkyl phenol isomer
C^-alkyl phenol isomer
ethylphenol isomer
ppb
15
6
360
132
T
T
T
T
T
T
428
-------
Table D13. SEMI-VOLATILE ORGANICS IN LIQUID BLEND FROM DEWATERING WELLS
#1 and 6 PRIOR TO IN SITU COAL GASIFICATION (LLL, ERDA)
Elution Temperature
(°C)
93
96
98
98
100
100
101
101
102
103
104
105
109
111
158
159
169
Compound
co2
acetaldehyde
acetone
ethyl formate
hydrocarbon. (?)
ethyl acetate
dimethyl ether
methyl ethyl ketone (tent.)
n-nonane
C10H22 lsomer
hydrocarbon (?)
n-pentanal
toluene
n-hexanal
aldehyde lsomer (?)
acetic acid
benz aldehyde
ppb
NQ
NQ
NQ
60
NQ
630
90
T
T
T
NQ
T
117
T
NQ
T
T
Elution Temperature
("O
197
224
225
231
234
235
235
238
240
240
240
240
240
240
240
240
Compound
d. -nitrobenzene (el)
cresol isomer
phenol + C3-alkyl phenol
isomer
ethylphenol isomer
dimethylphenol isomer
cresol isomer
C,-alkyl phenol isomer
C,-alkyl phenol isomer
dimethylphenol isomer
C--alkyl phenol isomer
dimethylphenol isomer
ethylphenol isomer
acenaphthene (tent.)
C,-alkyl phenol isomer
C,-alkyl phenol isomer
C,-alkyl phenol Isomer
ppb
189
27
T
T
19.8
T
T
T
T
T
T
T
T
T
T
429
-------
Table D14. SEMI-VOLATILE ORGANICS IN PROCESS WATER (-3L) DURING
JLN SITU COAL GASIFICATION (LLL, ERDA)
Elution
(°C
92
94
95
97
100
101
103
105
109
111
123
125
126
128
130
142
143
144
145
147
157
168
168
172
175
177
178
179
180
181
193
194
196
196
197
212
213
214
217
219
222
226
228
229
236
Temperature '
) Compound
co2
diethyl ether
acetaldehyde
ethyl formate
ethyl acetate
methyl ethyl ketone
methyl isopropyl ketone
2-pentanone
toluene
dimethyl disulphide
unknown
cyclopentanone
2-methylcyclopentanone
3-methylcyclopentanone
methylpyridine isomer
dimethylcyclopentanone isoc
C-IL 0 (ketone?)
anisole
CyH100 (ketone?)
C,H,0 (ketone?)
o /
£-methylanisole
C0H, .0 isomer
0 I/
n-nonanoic acid
C,H00 isomer
D O
C,Hn-0 or C0Hn, isomer
7 10 8 16
CgH 0 isomer
benzonitrile
C0H, -0 isomer
o .I/
n-decanoic acid
phenyl acetate
n-undecanoic aqid
cresyl acetate (?)
cresyl acetate (?)
d. -nitrobenzene (eS)
naphthalene
dimethylphenol isomer
methylnaphthalene isomeE
ppm
NQ
NQ
NQ
NQ
NQ
T
T
10
50
50
NQ
110
20
14
4
ner T
T
T
T
NQ
22
5
5
7
150
20
40
I
3
4
5
T
T
146
26
T
T
C3-alkyl phenol isomer (tent.)1
C,-alkyl phenol isomer
cresol isomer 4- phenol
C--alkyl phenol isomer
C -H 0 isomer
10 14
ethylphenol isomer
dimethylphenol t cresol
isomers
C,-alkyl phenol isomer
I
50.000
4000
10
6000
48000
400
Elution Temperature
(°C) Compound
237 dimethylphenol isomer
239 ethylphenol isomer
240 C,-alkyl phenol isomer
240 dimethylphenol isomer
240 ethylph^nol isomer
240 C^-allcyl phenol isomer
240 C~-alkyl phenol isomer
240 C.-alkyl phenol isomer
240 C,-alkyl phenol isomer
240 Cq-alkyl phenol isomer
240 ^in^in^ isomer
240 aldehyde (?)
240 C -alkyl benzaldehyde
isomer
240 C, -alkyl benzaldehyde
ppm
425
455
60p
3800
400
350
1600
20
25
T
T
NQ
850
450
430
-------
•H
CO
c
01
4J
4-; finioo-
c
0)
o
o
i o n o o -
' 4J
o
H
7 ') 0 n
Figure D8. Profile of semi-volatile organics in neutral fraction of process tar (-4L) from jln situ
coal gasification (LLL, ERDA).
-------
0
f-t
J ,,TO, ,,^T
H ^ |1 n f: F !> f'
Mass Spectrum No.
Figure D9. -Profile of semi-volatile organics in acid fraction of process tar (-4L) from
in situ coal gasification (LLL, ERDA).
-------
Table D15. SEMI-VOLATILE ORGANICS IN PROCESS TAR (-4T) FROM
IN SITU COAL GASIFICATION (LLL, ERDA)
Elution TeD
92
97
102
110
113
116
117
118
122
123
123
127
127
128
128
129
131
134
135
137
140
140
141
143
144
146
147
149
152
152
153
154
156
157
157
158
159
163
164
165
166
167
nperature
Compound
co2
acetone
hydrocarbon (?)
C11H24 lsomer
n-undecane
ethylbenzene
C H-- isomer
xylene isomer
C,H_ ,0 isomer
xylene isomer
n-C. -H-, isomer
— 1Z Zb
n-propylbenzene
ethyltoluene isomer
C12H24 isomer
C, -alkyl benzene isomer
C12H24 lsomer
C ,H_, + trimethylbenzene
isomers
C^-alkyl benzene isomer
C, -alkyl benzene isomer
n-tridecane + trimethylbenzene
isomers
C, -alkyl benzene isomer
C, ,H,, isomer
13 26
n-butylbenzene
C13H26 isomer
trimethylbenzene isomer
C, -alkyl benzene isomer
C, -alkyl benzene isomer
n-tetradecane + indan
C --alkyl benzene isomer
methylindan isomer
C,--alkyl benzene isomer
n-pentylbenzene
C14H28 is°mer
C, -alkyl benzene isomer
C,-alkyl benzene + C ,H,,g
isomers
C. -alkyl benzene + ^11^28
isomers (tent.)
C, -alkyl benzene isomer (tent.)
n-pentadecane
indene
C, -alkyl benzene isomer
C--alkyl indan isomer
methylindan isomer
ppm
NQ
NQ
NQ
T
140
26
T
124
42
T
1240
420
420
T
T
570
33
57
T
2730
930
660
72
420
540
T
T
2790
1410
420
T
270
45
T
51
T
30
2790
1440
T
T
510
Elution Temperature
167
168
169
170
171
174
175
175
176
177
178
180
181
182
183
183
184
185
186
186
187
188
191
192
193
194
195
195
197
198
199
200
201
202
203
203
205
207
208
208
209
211
(continued)
Compound
phenyl-n-hexane
C15H30 iSOmer
C2-alkyl indan + ci5H3n
isomers
C, -alkyl benzene isomer
t>
C_H 0 isomer
C£-alkyl benzene isomer
0
C, , Hn , isomer
11 14
C12H16 iscmer
n-C.,H isomer
methylindene isoraer
alkyl indan isomer
methylindene isomer
C, -alkyl indan isomer
C16H32 isomer
C--alkyl benzene + Cj-alkyl
indan isomers
C,,H,- isomer
lb JZ
alkyl benzene isomer
C, -alkyl indan isomer
C11H14 lsomer
C, -H- , isomer
C18H36 is°mer
n-heptadecane
C13H18 is°mer
dimethylbenzofuran isomer
(tent.)
C11H12 isomer
phenyl-n-octane
C17H34 lsomer
methyldihydronaphthalene
isomer
d.-nitrobenzene (eS)
naphthalene
C13H18 isomer
C14H20 1SOmer
C11H12 isomer
C, _H, , isomer
iz 10
trimethylindan isomer
C,3H „ isomer
2,3-benzothiophene
phenyl-n-nonane
C15H22 isomeT (cent.)
C18H38 is°mer
C,,H-- isomer (tent.)
14 20
methylnaphthalene isomer
ppm
60
T
93
54
171
T
T
T
2190
450
660
270
T
T
26
T
45
T
81
T
T
87
T
42
T
33
T
T
17930
270
T
I
T
130
T
190
40
T
T
260
611
433
-------
Table D15 (cont'd)
Elution Temperature
(°C)
212
212
213
214
215
217
219
220
220
221
222
223
223
226
227
228
229
230
231
232
233
234
236
237
237
238
238
239
239
240
240
240
240
240
240
240
240
240
240
240
240
240
240
Compound
C19H40 lsomer
alkyl indan isomer
C19H38 lsomer
dimethylphenol isomer
methylnaphthalene isomer
pentamethylindan isomer
C15H22 + C3-alky1 Phenol
isomers
C,nH,0 isomer
19 38
phenyl-n-decane
ethylnaphthalene isomer
C.. rRyr. isomer
phenol + cresol + dimethyl-
naphthalene isomers
-~C20H42 lsomer
biphenyl
dimethylnaphthalene isomer
dimethylnaphchalene isomer
C, -alkyl phenol isomer
ethylphenol isomer
dimethylphenol isomer
cresol isomer
cresol isomer
C2~alkyl naphthalene + C,-
alkyl naphthalene isomers
methylbiphenyl isomer
C, -alkyl naphthalene isomer
C -alkyl phenol isomer
0,,-alkyl naphthalene isomer
C--alkyl phenol isomer
C^-alkyl phenol isomer
C_-alkyl naphthalene isomer
C -alkyl phenol isomer
ethylphenol isomer
acenaphthene
C, -alkyl phenol isomer
C, -alkyl naphthalene isomer
C--alkyl naphthalene isomer
C, -alkyl phenol isomer
C,-alkyl phenol isomer
biphenylene
C_-alkyl phenol isomer
C_-alkyl naphthalene isomer
C^-alkyl naphthalene isomer
C^-alkyl phenol isomer
dibenzofuran
ppm
170
23
27
T
4110
1930
370
T
T
130
T
3860
490
1390
T
2150
110
180
T
4050
3870
660
13
27
410
T
37
T
T
620
850
2560
410
T
1380
1360
T
1460
T
T
1560
T
1480
Elution Temperature
(°C) Compound ppm
240 C, -alkyl phenol isomer T
240 fluorene 990
240 hydroxyfluorene or C.. ,H -0
isomer T
434
-------
Table D16. SEMI-VOLATILE ORGANICS IN WATER (-5L) FROM
PERMEATION WELL #5 (LLL, ERDA)
Elution Temper^
(°C)
94
97
99
100
101
103
105
107
109
112
114
141
144
146
155
162
iture
Compound
co2
acetaldehyde
ethyl formate
acetone
ethyl acetate
dimethyl ether (tent.)
hydrocarbon (?)
n-butanal
hydrocarbon (tent.)
toluene
ti-hexanal (tent.)
^v-octanal
unknown
hydrocarbon (tent.)
ii-nonanal
acetoxy acetone (?)
ppb
NQ
NQ
720
NQ
810
135
NQ
3
NQ
T
T
3
NQ
T
34
NQ
Elution Temperature
(°C)
165
168
169
184
191
202
230
238
239
240
240
240
240
240
240
240
Compound
n-decanal (tent.)
unknown
aldehyde (?)
acetic acid (tent.)
alcohol (?)
dj--nitrobenzene (eS)
phenol
dimethylphenol isomer
cresol isomer
ethylphenol isomer
C-,-alkyl phenol isomer
C«-alkyl phenol isomer
C^-alkyl phenol isomer
C.-alkyl phenol isomer
C--alkyl phenol isomer
ethylphenol isomer
ppb
6.6
NQ
NQ
T
NQ
72
186
364
9
69
72
T
T
9
33
435
-------
Table D17. SEMI-VOLATILE ORGANICS IN PROCESS COMPOSITE (-6L) FROM
IN SITU COAL GASIFICATION (LLL, ERDA)
Elution Temperature
92
94
97
100
100
101
102
102
103
104
104
105
106
107
107
108
110
110
111
112
112
113
114
116
117
117
118
119
120
121
121
122
122
123
124
124
125
125
127
128
129
129
130
Compound
co2
diethyl ether
ethyl formate
n-nonane
ethyl acetate
dimethyl ether
C- pH.- isomer
hydrocarbon (?)
G5H ° isomer
C9H18 isomer
C10H2 0 ±S°mer
n-decane
C10H20 lsomer
toluene
C-H isomer (tent.)
C10H20 iSOmer
C.. .. H- ~ isomer
C. - H_ . isomer
11 24
C,H.00 isomer
o I/
C11H24 isomer
C, nH,,,. isoraer
C, , H-- isomer
ri-undecane
ethylbenzene
C. . H-_ isomer
xylene isomer
C.. , H-- isomer
Cn 0H_ , isomer
I/ io
C11H22 isomer
CyH. ,0 isomer
C12H26 is0mer
xylene isomer
C. , H.,j isomer
C13H28 isomer
C, 2^96 isomer
n-dodecane
n-propyl benzene
C12H24 isomer
ethyl toluene isomer
C., 0H~ , isomer
12 24
trimethylbenzene + C^-H,,
isomers
C12H24 isomer
C^-alkyl benzene isomer
ppm
NQ
NQ
NQ
520
NQ
NQ
15
NQ
10
T
T
580
210
30
T
550
T
45
170
T
62
49
550
1210
5620
380
460
T
47
T
91
760
28
T
7
2050
T
79
3820
T
3850
T
T
Elution Temperature
131
132
132
132
133
134
134
134
135
135
136
137
137
138
138
138
139
139
140
140
141
141
141
142
142
143
143
143
144
144
144
145
145
146
146'
146
147
147
(continued)
436
Compound
Cj-alkyl benzene + C^H
isomers
C12H24 isomer
C H isomer
methylpyridine isomer
C0H1,0 isomer
o 10
trimethylbenzene isomer
C--alkyl benzene isomer
dimethylpyridine isomer
C13H28 lsomer
ppm
26
460
T
T
20000
5260
550
T
310
460
C,-alkyl benzene + C._H2,
isomers
C.. _Hp , isomer
C ,H2g isomer
NQ
110
T
iv-tridecane + C,-alkyl benzene
isomer
n-butylbenzene + C,.,H,,,
C^-alkyl benzene isomer
ethylpyridine isomer
C13H28 isomer
C8H11N lsomer
C,-alkyl benzene + C^^H
isomers
C,-alkyl benzene + C, ,H
4 14
isomers
trimethylbenzene isomer
ri-butylbenzene
dimethylpyridine isomer
^14^30 *somer (tent-)
C14H28 isomer
C. _H- ,. isomer
C,-alkyl benzene isomer
CgH N isomer
C15H32 isomer
C,-alkyl benzene + C^.H,
isomers
CgH- _N isomer
C,-alkyl benzene isomer
unknown + C._H_,,
13 26
isomer
C6H8° + C14H30 isomers
C0Hn,N isomer
o jLl
indan
CgH gO isomer
320
isomer2050
T
4250
540
660
16
T
23
T
8050
32
T
56
49
570
T
T
T
8
271
T
T
321
T
T
6550
1310
C,-alkyl benzene + hydrocarbon
(?)
T
-------
Table Dl? (cont'd)
Elution Temperature
147
148
148
149
149
150
150
150
150
152
152
154
154
155
155
156
156
158
158
159
160
160
161
161
163
163
163
163
164
165
165
166
166
166
167
168
168
169
170
171
171
Compound
dimethylpyridine isomer
C, -alkyl benzene isomer
C,.-alkyl pyridine isomer
C--alkyl cyclohexane + C_-
alkyl benzene isomers
dimethylpyridine isomer
C10H12 is°mer
n-tetradecane
C. ,H,,- isomer
14 30
C.-alkyl pyridine isomer
ri-pentylbenzene
C10H12 isomer
C. -alkyl benzene isomer
C14H28 + C15H30 is°mers
C, -alkyl benzene isomer
C14H30 isomer
GT /-H- . isomer
16 34
Ce -alkyl benzene isomer
C-. , H«Q isomer
C, -alkyl benzene + C ,H g
isomers
C- cH^_ isomer
C_-alkyl benzene isomer
(tent.)
C, -alkyl benzene isomer
C15H32 is0mer
C16H34 isomer
C, -alkyl benzene isomer
benzofuran
C-. , H, , isomer
11 14
C10H12 isomer
C, -alkyl benzene + C. _H3-
isomers
n-pentadecane
C, -alkyl benzene isomer
benzaldehyde
C11H14 isomer
Cn -H- „ isomer
10 12
C11H14 + C15H32 isomers
C. -H... isomer
J.J JU
phenyl-n-hexane
n-pentadecane
C7H1Q0 isomer
CgH ,0 isomer
C, -alkyl benzene +• C _H -
isomers
ppm
4200
T
8140
T
6310
T
2050
T
220
1470
T
1860
1430
1310
NQ
1930
T
5100
570
1910
580
T
T
T
1470
9150
3200
1460
1760
2810
470
6550
270
14
T
T
T
320
6550
3210
215
Elution Temperature
172
175
176
178
178
178
179
180
180
181
181
181
182
183
184
184
184
186
186
187
188
188
188
189
189
190
191
192
193
193
194
195
195
196
198
199
200
200
200
202
202
202
202
203
203
(continued)
Compound
C15H3Q isomer
C_2H 6 isomer
methylbenzofuran isomer
cyanobenzene
C12H16 iSOIner
methylbenzofuran isomer
methylindene isomer
tolualdehyde isomer
C.0H., isomer
12 16
n-hexadecane
C_-alkyl benzene isomer
phenyl-n-heptane + C..,H
isomer
C0H, .0 isomer
o 1Z
C7~alkyl benzene isomer
acetophenone
C. ~U, , isomer
12 16
CgH N isomer
C13H18 is°mer
C.gH isomer
C11H14 lsomer
dimethylbenzof uran isomer
C. ^.H1 o isomer
n-C,-.H.., isomer
— LI Jo
C11H14 isomer
C, 0Hn ,. isomer
I/ 10
dimethylbenzof uran isomer
C17H36 isomer
C.,H „ isomer
C..H.- isomer
C.,H,, isomer
17 36
C13H18 isomer
d.-nitrobenzene (ei)
C18H36 isomer
naphthalene
C12H16 isomer
C1QHig isomer
13 lo
C14H20 is°mer
C12H15 isomer
n-C. RH-_ isomer
C14H20 is0mer
methylaniline isomer
C.-alkyl aniline isomer
C19H40 iSCIner
2 , 3-benzothiophene
C, iH.. , + n-octadecane
12 ID —
ppm
710
T
4150
8760
T
550
410
430
T
T
T
250
T
T
5160
2250
T
T
T
T
2560
490
T
38
T
2460
2370
460
T
T
T
2030
>20000
NQ
NQ
NQ
2070
170
1470
3250
1460
T
9590
333
437
-------
Table D17 (cont'd)
Eiution Temperature
(°C)
205
205
206
206
206
207
208
209
209
210
210
211
211
212
212
213
214
214
215
215
216
217
217
218
218
218
219
219
220
220
220
222
222
222
222
223
223
224
224
224
224
225
225
226
Compound
C14H20 isomer
C13Hlg isomer
C12H14 isomer
C14H20 is°mer
C^-allcyl aniline isomer
C14H20 ±SOmer
aniline
C19H40 is0mer
C13H18 isomer
methylnaphthalene isomer
C. eH~~ isomer
C14H20 lsomer
C0Hn1N Isomer
0 11
dimethylphenol isomer
-~C19H40 isomer
C0H.,.,N isomer
o 11
methylnaphthalene isomer
benzylamine
C .H isomer
alkyl-napthalene isomer
C, -alkyl phenol isomer
pentamethylindan isomer
C- cH,,n isomer
C14H20 lsomer
ClgH3g isomer
methylaniline isomer
C0H, ,N isomer
0 11
C14H10 lsomer
ethylnaphthalene isomer
phenol + cresol isomer
C14H10 is°mer
C0H. . X isomer
o 11
ethylnaphthalene isomer
Cj-alkyl phenol isomer
dimethylnaphthalene isomer
C20H40 isomer
C, -alkyl phenol isomer
biphenyl
CaH N isomer
o 11
C.H. ,N isomer
GI rH^o isomer
dimethylnaphthalene + C, -alkyl
phenol isomers
methylquinoline isomer
C,-alkyl phenol + dimethyl-
naphthalene isomers
ppm
150
T
230
15
1250
T
150
T
NQ
9176
T
T
2650
4150
140
T
7615
190
T
736
T
4190
T
430
38
40
T
410
1570
89600
560
110
779
785
178
T
990
461
2000
50
T
620
210
7890
Elution Temperature
(°C)
226
227
227
229
229
229
229
229
230
231
231
232
232
233
233
233
234
234
234
235
235
235
236
236
237
237
238
238
239
239
239
239
240
240
240
240
240
240
240
240
(continued)
Compound ppm
-~C20H42 + "i""1011116 5160
ethylphenol isomer 2761
dimethylphenol isomer 16710
C, -alkyl phenol 6660
isomers
C2-alkyl-naphthalene isomer T
C_H N isomer T
methylquinoline isomer T
CgH^N isomer 2140
cresol + C,,-alkyl naphthalene
isomers 1410
C_-alkyl phenol isomer 1200
C20H40 Is6mer T
C5-alkyl phenol + C3-alkyl
naphthalene isomers 470
ethylphenol + methylquinoline
isomers (tent.) 4770
C_-alkyl naphthalene isomer 1050
C -alkyl naphthalene isomer 375
dimethylphenol isomer 6150
Cj-alkyl phenol isomer 1760
C^-alkyl phenol isomer 1410
cresol isomer 410
ethylphenol isomer 1270
C^-alkyl naphthalene isomer T
n-C21H44 isomer 87
C, -alkyl naphthalene + C,-
alkyl phenol isomers 1320
C, -alkyl phenol isomer 8210
C^-alkyl phenol isomer 550
C2-alkyl phenol isomer 105100
C9H2Q0 isomer 421
n-C H,2 isomer T
C2~alkyl phenol isomer 75170
C^-alkyl-phenol isomer 1780
Cj-alkyl phenol isomer 10500
C21H42 isomer T
Cj-alkyl phenol isomer 3850
C, -alkyl phenol isomer T
acenaphthene + C, -alkyl phenol
isomer 915
C, -alkyl phenol isomer 5710
C, -alkyl phenol isomer 6720
C, -alkyl phenol isomer 2110
C.-alkyl naphthalene isomer 1570
biphenylene 4770
438
-------
Table D17 (cont'd)
Elution Temperature
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
Compound
C,-alkyl phenol isomer
C,-alkyl phenol isomer
C,-alkyl phenol isomer
C,-alkyl naphthalene isomer
C^-alkyl phenol isomer
C,-alkyl phenol isomer
dibenzofuran
C.j,H.., isomer
C,-alkyl phenol isomer
C,-alkyl phenol isomer
f luorene
C13H10° °r C14H14 isomer
triethylbenzene or C,-alkyl
benzene isomer
C10*I12° isomer
dimethylbenzaldehyde isomer
methylphenanthrene isomer
ppm
1410
1710
1350
1270
1110
T
2760
1410
620
2000
4140
550
2180
570
9970
T
Elution Temperature
(°C) Compound ppm
240 C2-alkyl benzaldehyde 8500
439
-------
Table D18. SEMI-VOLATILE ORGANICS IN PROCESS COMPOSITE (-7L) FROM
IN SITU COAL GASIFICATION (LLL, ERDA)
Elution Temperature
92
96
96
99
99
101
102
103
104
105
105
106
107
107
107
108
110
111
112
113
115
115
117
118
120
120
121
122
123
123
124
125
126
127
129
130
130
132
132
132
133
134
135
135
135
Compound
co2
acetone
diethyl ether
n-nonane
ethyl acetate
dimethyl ether
CgHlg isomer
C10H22 + C5H10° isomers
hydrocarbon (?)
n-decane
hydrocarbon (?)
C- nH_ _ isomer
10 20
hydrocarbon
toluene
C-.-.tL , isomer
11 24
C. (-.H,- isomer
C11H24 is°mer
C-H.-O (ketone ?) isomer
D li
C H__ isomer
n-undecane
C, ,H00 isomer
11 22
ethylbenzene
xylene + CinH22 isomers
CinH.», isomer
L2. ZD
C10Hn, isomer
i/ Zb
C13H28 is°mer
C-.H..O isomer
/ 14
xylene isomer
n.-dodecane
acid (?)
cyclop en tanone
n-propylbenzene
C. _R. . isomer
12 24
ethyltoluene + C12H isomer
C14H30 ±somers
C3-alkyl benzene + C12H24
+ methylpyridine isomers
C- Hoc isomer
U Zb
trimethylbenzene isomer
C,-alkyl benzene isomer
n-heptanoic acid
C-. ,H00 isomer
i. J Zo
C-jH- ,0 isomer
trimethylbenzene isomer
C^-alkyl pyridine isomer
C13H28 lsomer
Ppm
NQ
NQ
NQ
501
NQ
NQ
T
90
NQ
635
NQ
T
NQ
27
371
538
47
169
T
5976
5214
1200
694
T
81
T
97
684
2315
NQ
NQ
T
65
3667
T
3214
47
T
141
376
T
5200
481
329
407
Elution Temperature
136
136
137
138
138
139
139
140
140
141
142
142
143
143
144
144
144
145
146
146
147
147
147
148
149
149
149
150
150
151
151
152
153
154
154
155
155
156
157
157
157
158
158
159
(continued)
Compound
C -alkyl benzene isomer
n-tridecane
C, -alkyl benzene isomer
C.,H isomer
C0H,,N isomer
o 11
n-butylbenzene
C0H.,,N isomer
0 11
C..H-, + C . ,H,a isomers
13 26 14 2o
C, -alkyl benzene isomer
C,H_N isomer
D /
C, -alkyl benzene isomer
C10H-, isomer
13 26
trimethylbenzene isomer
anisole
C.. , H_rt isomer
14 28
C._H- + C, -alkyl benzene
isomers
C H N isomer
C, -alkyl benzene isomer
W + C14H30 isomers
C.H.,, isomer
0 11
indan
acid (?)
C,H-N isomer
D /
CyHgN isomer
C.H^N isomer
o 11
C0H -0 isomer
9 18
C, -alkyl benzene isomer
C. -alkyl benzene isomer
n-tetradecane
C10H12 lsomer
C0H. ,N isomer
o 11
C-H N isomer
n-pentylbenzene
C ,H2 isomer
CgH N + C-HgN isomers (tent
Cj.-alkyl benzene isomer
C1QH15N isomer
C,-alkyl benzene isomer "^
C ,H isomer /
methyl cresyl ether
C-H -N isomer
C-H^ ,.N isomer
C10H15N lsomer
C15H30 + C14H28 isomers
ppm
NQ
300
57
723
4761
1827
692
T
T
T
T
592
8391
47
49
293
T
T
NQ
T
6921
NQ
NQ
NQ
NQ
343
T
3215
2976
T
7936
338
1839
2761
) NQ
T
3762
871
476
395
266
265
2982
440
-------
Table D18 (cont'd)
Elution lempera ture
(°C)
162
162
162
163
163
164
165
165
166
167
167
168
168
170
171
172
173
174
174
177
178
178
178
179
179
179
180
180
181
181
182
183
183
185
186
187
187
187
189
189
189
191
193
Compound
C.. ,.H ,, isoiner
C H 0 Isomer
C H N Isomer
C, -alkyl benzene isomer
C-H N isomer
C0H N isomer
o 11
n-pentadecane + C^H., isomer
C H N isomer
C H N isomer I
oil \
CnHn n N isomer j
oil s
benzaldehyde
Cn ., H., , isomer
11 14
C--alkyl phenol isomer (tent.)
CgH ^N isomer
C7H 0 isomer
alkyl pyridine isomer
C.H.-O isomer
o 1Z
C H isomer
alkyl pyridine isomer
C H isomer
LL lo
CqH N isomer
methylbenzof uran isomer
C H N isomer
C.,Hn, isomer
16 34
cyanobenzene + methylbenzo-
furan isomer
C£H00 isomer + n-hexadecane
Do
methvlindene isomer
a]kvl pyridine isomer (tent.)
phenvl-n-hep tane + C..H,..
isomer
acid (?)
benzoic acid
C,.H._ + CnnH,, isomers
16 32 12 16
C_H-, ,N isomer
o il
acetophenone
Cetrahydroquinoline
C13H18 iSOm"
C.,H._ isomer
lu 3-
n-heptadecane
C, 1 H , isomer
11 14
C._H,, isomer
1_ 16
CQH N isomer
dimethylbenzof uran isomer
acid (?)
ppm
1921
NQ
761
2981
762
871
3989
62
31
8914
323
NQ
411
7921
1010
4231
726
NQ
T
T
7828
NQ
T
11231
I
311
342
NQ
417
62
T
9327
487
T
T
T
T
T
620
4762
NQ
Elution Temperature
(°C)
195
195
197
198
199
200
202
204
206
206
206
207
209
211
211
211
212
214
214
215
217
217
218
218
219
221
221
222
222
223
223
223
223
226
226
227
228
228
229
230
231
232
233
234
(continued)
Compound
C. _ H- „ isomer
cresol isomer
d^-nitrobenzene (eS)
naphthalene
n-octadecane
C,,Hno isomer
13 18
C.. ^HT £ isomer
I/ 16
C,j-alkyl phenol isomer
2 , 3-benzothiophene
C19H38 isomer
acid (?)
C,_H1C isomer (tent.)
1Z ±D
C1AH20 isoiner
C- cH,,^ isomer
methylnaphthalene isomer
n-nonadecane
methylnaphthalene isomer
C14H20 isomer
dime thy Iphenol isomer
C19H38 isomer
alkyl-napthalene isoiner
e thy Iphenol isoiner
pentatnethylindan + C^-alkyl
phenol isomers
C fiH N isoiner
C --alkyl phenol isomer
ethylnaphthalene isomer
cresol isomer + phenol
quinoline or isoquinoline (?
C15H22 isoiner
C^-alkyl phenol isomer
dimethylnaphthalene isoiner
C -alkyl phenol isoiner
n-eicosane
biphenyl
methyl quinoline isomer
dimethylnaphthalene -t- C,-
alkyl phenol isomers
dimethylnaphthalene isomer
C~-alkyl phenol isomer
e thy Iphenol isomer
dime thy Iphenol isomer
cresol isomer
dimethylnaphthalene isomor
C-alkvl naphthalene isomer
n-heneicesane
ppm
T
NQ
72500
476
T
2424
3740
11482
NQ
NQ
400
145
T
11200
241
9200
500
4000
46
876
8800
47
920
811
62141
)
T
8210
277
1121
T
532
276
8200
T
5721
2421
10211
T
421
96
441
-------
Table D18 (cont'd)
Elution let
CC)
235
236
237
237
238
239
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
aperature
Compound
C~-alkyl naphthalene isomer
C -alkyl phenol isomer
C H isomer (tent.)
dimethylquinoline isomer
dimethylphenol isomer
C^-alkyl naphthalene isomer
C,-alkyl phenol isomer
dimethylphenol isomer
C15H22 isomer
C^-alkyl phenol isomer
C. -alkyl phenol isomer
acenaphthene
C -alkyl phenol isomer
C -alkyl naphthalene + C -alkyl
phenol isomers
C, -alkyl phenol isomer
C.-alkyl phenol isomer
biphenylene
C^-alkyl phenol isomer
CL-alkyl phenol isomer
C, -alkyl naphthalene isomer
C_-alkyl naphthalene isomer
C,-alkyl phenol isomer
C,-alkyl phenol isomer
C -alkyl naphthalene isomer
dibenzof uran
C. -alkyl naphthalene isomer
C -alkyl naphthalene isomer
hydrocarbon (?)
C, -alkyl phenol isomer
f luorene
C13H10° or C14H14 isomer (?)
triethylbenzene isomer
C -alkyl benzaldehyde (tent.)
C -alkyl benzaldehyde (tent.)
tri-sec-butyl phenol isomer
-~C22H46 isomer
C12H11N lsomer
phenylpyridine
dip heny lace tylene
n-C- H „ isomer
ppm
T
1000
NQ
326
5220
1839
2700
260
NQ
4300
1232
1100
6250
2500
1800
1200
6777
1440
NQ
NQ
NQ
1000
T
4391
NQ
NQ
NQ
1435
8200
NQ
1550
10225
4200
310
NQ
NQ
NQ
NQ
NQ
Elution Temperature
(°C) Compound
442
-------
Table D19. SEMI-VOLATILE ORGANI'CS IN WATER (-8L) FROM ENVIRONMENTAL MONITORING
WELL #4 DURING IN SITU COAL GASIFICATION (LLL, ERDA)
Elution Terape
(°C)
101
103
105
106
107
107
108
109
110
112
113
123
127
132
150
-rature
Compound
co2
acetaldehyde
ethyl formate
acetone
n-butanal
ethyl acetate
hydrocarbon isomer
benzene
ri-pentanal
toluene
rv-hexanal
n-heptanal
unsaturated hydrocarbon
(tent.)
n-octanal
n-nonanal
ppb
NQ
NQ
210
NQ
NQ
840
33
T
T
5.1
1.5
0.3
T
4.8
10.0
Elution Temperature
(°c)
i6r
166
168
181
191
204
206
215
222
223
229'
231
233
233
237
Compound'
n-decanal
acetic acid
benzaldehyde
unsatufated hydrocarbon (?)
d,--nitrobenzene (eS)
saturated hydrocarbon
methylnaphthalene isomer
(tent.)
phenol
dimethylphenol isomer
cresol isomer
dimethylphenol isomer
C,-alkyl phenol isomer
C_-alkyl phenol isomer
ethylphehol isomer
C^-alkyl phenol isomer
ppb
1.5
7J
4.2
NQ
NQ
T
138
646
607
75
T
T
276
246
443
-------
Table D20. SEMI-VOLATILE ORGANICS IN WATER (-9L) FROM ENVIRONMENTAL MONITORING
WELL #5 DURING IN SITU COAL GASIFICATION (ILL, ERDA)
Elution Temperature
112
115
117
118
118
119
121
127
149
155
161
164
166
Compound
co2
ethyl formate
ethyl acetate
n-pentanal (tent.)
isopropyl alcohol
hydrocarbon
toluene
n-hexanal (tent.)
n-nonanal
acetoxy acetone (tent.)
n-decanal
benzaldehyde
alcohol (tent.)
ppb
NQ
255
1320
T
522
NQ
T
T
21
2.4
T
T
16.2
Elution Temperature
181
187
191
216
222
222
225
229
230
232
233
233
236
Compound
C-H1Q0 (alcohol, tent.)
o lo
C.H 0 isomer
o J.O
d, -nitrobenzene (eS)
phenol
dimethylphenol isOrner
ethylphenol isomer
cresol isomer
C, -alkyl phenol isomer
Cj-alkyl phenol isomer
C -alkyl phenol iSomer
C^-alkyl phenol isomer
ethylphenol isOmer
ethylphenol isomer
ppb
4.2
3
159
570
T
96
T
43
T
150
T
T
444
-------
3 0 0 0 il -,
CO
(3
0)
2 o n 0 n -
-------
3 a u 0 ri -,
'.Yl.T.,I|.mrnY"T'"r''l'1"r"1'"'r"1"1T'"i""r"T1
975 0 9 sn n
j 9 [i ri
Mass Spectrum No-
Figure oil. Profile of semi-volatile organics in acid fraction of water sample <-10L)
from dewatering well #4 (LLL, ERDA).
-------
3 LI n ri 0 —i
•H
ra
fi
a)
4-J ECO (i n -
0)
M
O
d
O
O
H
0)
•H
4J
cti
i-)
O)
0 1 0 !
0150
n £ 0 0
n £• 5 ri
[i H 0 0
Mass Spectrum No.
Figure D12. Profile of semi-volatile organics in basic fraction of water sample (-10L)
from dewatering well #4 (LLL, ERDA) .
-------
Table D21. SEMI-VOLATILE ORGANICS IN WATER (-10L) FROM
DEWATERING WELL #4 (ILL, ERDA)
Elation Temperature
ro
101
102
103
105
105
106
106
106
107
109
110
110
111
112
113
114
115
115
117
118
119
120
121
122
123
123
124
124
124
125
126
126
127
130
130
131
132
132
133
135
136
138
139
141
Compound
co2
diethyl ether
acetaldehyde
acetone
ethyl formate
n-butanal
ethyl acetate
methyl ethyl ketone
benzene + methyl isopropyl
ketone
2-pentanone
n-pentanal
4-methyl-2-pentanone
3-methyl-2-pentanone
toluene
3-hexanone
n-pentanoic acid
n-hexanal
2-hexanone
ethylbenzene
£-xylene
C_H, ,0 isomer
7 14
3-heptanone
n-hexanoic acid
2-heptanone
C,H, .0- acid isomer
6122
o-xylene
n-heptanal
C^H.j .0 isomer
cyclopentanone
2-methylcyclopentanone
isopropylbenzene
3-methylcyclopentanone
C H 0 isomer
C.-alkyl benzene isomer
C^IL 0 isomer
C,H, ,0 isomer
o ID
trimethylbenzene isomer
ri-heptanoic acid
n-octanal
cyclohexanone
CyH «0 isomer
1,2, 3-trimethylbenzene
C^-alkyl cyclopentenone isomer
(tent.)
C2-alkyl cyclopentenone isomer
ppb
NQ
NQ
NQ
NQ
369
NQ
NQ
NQ
3
27
T
I
3
T
T
64
T
0.6
T
T
T
T
2.4
3
T
T
1.8
T
45
9
T
25
6.6
T
T
3
T
29
13
16
4.8
T
9
4.2
Elution Temperature
142
142
144
144
145
147
152
154
155
155
157
157
158
159
163
164
164
165
166
167
168
168
169
170
171
173
174
174
176
178
179
180
181
181
182
183
185
185
189
189
189
196
198
201
(continued)
Compound
indan or CgH - isomer
C_H,,0- acid isomer
o ib 2.
n-octanoic acid
methylcyclopentenone isomer
n-nonanal
C10H18 isomer (tent>)
C^-alkyl cyclopentenone
CQH1Q0 isomer
7 ±O
n-nonanoic acid
C10H12 isomer
n-de canal
indene
C-H.,,.0 isomer
o \.2.
CgH ,0 isomer
C-H-0 isomer
o 8
benzaldehyde
C H 0 isomer
C H «0 iscmer
CRH-20 isomer
n_-decanoic acid
C_H, .0 isomer
caH-,,0 isomer
n- undecanal
methylbenzofuran isomer
(tent.)
cyanobenzene ( tent . )
phenyl acetate
benzoic acid
C--alkyl pentenone isomer
acetophenone
C H ,0 isomer
p_-cresyl acetate (tent.)
methylacetophenone isomer
o-toluic acid
unsaturated hydrocarbon
C2-alkyl benzofuran isomer
(tent.)
CgH1Q02 isomer
methylacetophenone isomer
C9H10°2 isomer
d,- -nitrobenzene (e2)
toluic acid isomer
naphthalene
benzo thiophene
C10H12°2 lsomer
B-methylnaphthalene
ppb
T
1.2
33
37
25
T
20
9
9.6
T
T
T
58
T
T
T
160
167
154
1.2
9
T
4.2
T
T
10
1.8
10.2
107
T
T
9
T
T
T
0.6
0.6
1.2
2.4
46
3
3.6
4.2
448
-------
Table D21 (cont'd)
Elution Temperature
(°C)
202
203
205
207
211
212
213
215
218
220
225
227
228
229
230
232
232
233
235
236
239
240
240
240
240
240
240
240
240
240
240
Compound
saturated hydrocarbon (?)
dimethylphenol isomer
ct-methylnaphthalene
C.-alkyl phenol isomer
cresol isomer
C--alkyl phenol isomer
phenol
C,-alkyl phenol isomer
C.-alkyl phenol isomer
cresol isomer
C -alkyl phenol isomer
C_-alkyl phenol isomer
C, -alkyl phenol Isomer
C^-alkyl phenol isomer
C--alkyl phenol isomer
ethylphenol isomer
C, -alkyl phenol isomer
C -alkyl phenol isomer
C?-alkyl phenol isomer
C.-alkyl phenol isomer
C,-alkyl phenol isomer
C,-alkyl phenol isomer
C -alkyl phenol isomer
C _-alkyl phenol isomer
C -alkyl phenol isomer
C -alkyl phenol isomer
unknown
ethylbenzaldehyde isomer
C_-alkyl phenol isomer
3 , 4-dimethy Ibenzaldehyde
C -alkyl benzaldehyde isomer
(tent.)
ppb
NQ
120
3
9
1056
T
120
T
18.6
594
120
141
135
34
436
47
T
23
40
147
119
124
9
47
3
6.6
NQ
157
3
150
360
Elution Temperature
(°C) Compound
449
-------
Table D22. SEMI-VOLATILE ORGANICS IN WATER (-11L) FROM
DEWATERING WELL #5 (LLL, ERDA)
Elution Temperature
(°C)
112
115
116
117
117
118
118
119
121
123
132
133
141
Compound
co2
acetone
ace [aldehyde
ethyl formate
isopropanol
ethyl acetate
benzene + saturated hydro-
carbon
n-pentanal
toluene
n-hexanal
C.H.O isomer
J 0
n-hep tanal
n-octanal
ppb
NQ
NQ
NQ
615
94
1092
T
4.2
130
T
T
T
9
Elution Temperature
(°c)
141
148
151
162
173
191
216
222
223
228
230
233
234
Compound
hydrocarbon (tent.)
aldehyde (tent.)
n-nonanal
ii-decanal + indene (tent.)
acetic acid
d,_-nitrobenzene (eS)
phenol
dimethylphenol isomer
cresol isomer
C,-alkyl phenol isomer
dimethylphenol isomer
C~-alkyl phenol isomer
ethylphenol isomer
ppb
T
NQ
41
9
T
141
339
263
T
14
T
186
450
-------
Table D23. SEMI-VOLATILE ORGANICS IN WATER (-12L) FROM ENVIRONMENTAL
MONITORING WELL #1 AFTER IN SITU COAL GASIFICATION
(LLL, ERDA)
Elution Temperature
(°C)
102
106
109
109
109
111
112
112
114
117
118
126
148
155
156
160
Compound
co2
acetaldehyde + diethyl ether
C9H20 tsomer
ethyl formate
ethyl acetate
n-decane
n-pentanal
C. H., Isomer (tent.)
toluene
n-hexanal
n.-undecane
n-heptanal
n-nonanal
acetoxy acetone (tent.)
C?H 0 Isomer (tent.)
C.H.,,0 isomer (tent.)
o 16
ppb
NQ
NQ
T
930
233
10
T
1
42
6.6
T
T
7.2
NQ
1.8
0.6
Elution Temperature
(°C)
166
175
176
188
189
192
216
220
223
227
228
231
232
236
237
238
Compound
benzaldehyde
C10H20° isomer (decanal ?)
unsaturated hydrocarbon
methyl propyl ketene (?)
d -nitrobenzene (eS)
naphthalene
phenol
dimethyl phenol isomer
cresol isomer
C -alkyl phenol isomer
ethylphenol isomer
C -alkyl phenol isomer
ethylphenol isomer
C -alkyl phenol isomer
C -alkyl phenol isomer
C -alkyl phenol isomer
ppb
T
2.4
T
33
47
27
274
239
T
10
163
58
T
13
T
451
-------
Table D24. SEMI-VOLATILE ORGANICS IN WATER (-13L) FROM ENVIRONMENTAL
MONITORING WELL #4 AFTER IN SITU COAL GASIFICATION
(LLL, ERDA)
Elution Temperature
CO
101
103
105
106
106
110
111
113
113
116
148
Compound
co2
acetaldehyde
ethyl formate
ethyl acetate
acetone
n-butanal (tent.)
n-pentanal
toluene
C5H10°2 lscmer (cent-)
n-hexanal
n-nonanal
ppb
NQ
NQ
NQ
NQ
NQ
NQ
NQ
T
T
T
66
Elution Temperature
CO
182
188
213
220
221
226
227
230
231
235
238
Compound
acetoxy acetone (tent.)
d^-nitrobenzene (sS)
phenol
dimethylphenol isomer
cresol isomer
dimethylphenol isomer
ethylphenol isomer
ethylphenol isomer
C -alkyl phenol isomer
C.-alkyl phenol isomer
C, -alkyl phenol isomer (tent
ppb
NQ
93
390
388
22
73
261
79
6.6
) T
452
-------
Table D25. SEMI-VOLATILE ORGANICS IN WATER (-14L) FROM ENVIRONMENTAL
MONITORING WELL #2 AFTER IN SITU COAL GASIFICATION
(LLL, ERDA)
Elution Temperature
101
103
103
105
105
106
107
110
111
112
112
117
119
126
138
146
148
Compound
co2
diethyl ether
acetaldehyde
ethyl formate
acetone
ethyl acetate
n-nonane (tent.)
n^-butanal
hydrocarbon
n-decane (tent.)
toluene (tent.)
n-hexanal
hydrocarbon (?)
n-heptanal
n-octanal
CgHigO isomer
n-nonanal
ppb
NQ
NQ
NQ
NQ
NQ
NQ
T
NQ
NQ
T
15
T
T
28
T
T
39
Elution Temperature
154
157
159
165
185
190
196
205
215
217
221
222
228
231
232
237
Compound
unsaturated hydrocarbon
methyl acetoacetate (tent.)
n-decanal
benzaldehyde
unknown
d--nitrobenzene (eS)
5
unknown
acetic acid (tent.)
phenol
unknown
dimethylphenol isomer
cresol isomer
C -alkyl phenol isomer
dimethylphenol isomer
ethylphenol isomer
C~-alkyl phenol isomer
ppb
8.4
25
34
T
NQ
NQ
T
232
NQ
753
793
46
339
73
9
453
-------
Table D26. SEMI-VOLATILE ORGANICS IN LIQUID (-15T) FROM PRODUCTION WELL #1
AFTER IN SITU COAL GASIFICATION (LLL, ERDA)
Elation Temperature
92
97
99
195
196
198
208
210
215
217
219
220
222
Compound
CO,
acetone
hydrocarbon (tent. )
C19H40 isomer
dr-nitrobenzene (eS)
5
n-octadecane (tent.)
C -H,0 isomer
n-nonadecane
C nH.g isomer (tent.)
C20H42 -i-somer
C20H40 lsomer
C-.H, _ isomer
ZU "TL-
H-C20H42
ppm
NQ
NQ
T
T
20
T
2100
15
50
11
T
2615
Elution Temperature
223
227
231
232
233
238
240
240
240
240
240
Compound
phenol
C20H40 is°mer
dimethylphenol isomer
cresol isomer
-~C21H44
dimethylphenol isomer
ethylphenol isomer
C2-alkyl phenol isomer
C,-alkyl phenol isomer
C_-alkyl phenol isomer
C, , H, isomer
14 10
ppm
10
T
1510
2110
T
17
46
14
T
T
T
454
-------
Table D27. SEMI-VOLATILE ORGANICS IN WATER (-16L) FROM DEWATERING WELL #4
AFTER IN SITU COAL GASIFICATION (LLL, ERDA)
Elution Temperature
CO
102
103
105
105
107
108
108
108
112
113
115
116
120
123
129
189
190
202
203
Compound
co2
acetaldehyde
ethyl formate
acetone
n-butanal
hydrocarbon
ethyl acetate
n-pentanal
toluene
n-hexanal
C,HD0_ Isomer
4 o L
hydrocarbon (tent.)
n-heptanal
cyclop en tanone
n-octanal
d -nitrobenzene (eS)
naphthalene
3-methylnaphthalene
dimethylphenol isomer
ppb
NQ
NQ
720
NQ
NQ
T
1185
T
26
3.6
T
T
6
T
3
T
T
T
Elution Temperature
CO
205
208
213
214
217
219
220
222
223
224
224
225
227
229
233
233
234
237
Compound
a-methylnaphthalene
unsaturated hydrocarbon
cresol isomer
phenol
dimethylnaphthalene isomer
ethylphenol isomer
dimethylphenol isomer
cresol isomer
dimethylphenol isomer
ethylphenol isomer
cresol isomer
C -alkyl phenol isomer
C, -alkyl phenol isomer
C -alkyl phenol isomer
ethylphenol isomer
acenaphthene
C -alkyl phenol isomer
C -alkyl phenol isomer
ppb
T
T
6.6
163
T
T
186
153
34
183
129
9
T
T
120
T
T
T
455
-------
Table D28. SEMI-VOLATILE ORGANICS IN WATER (-17L) FROM DEWATERING WELL #5
AFTER _IN SITU COAL GASIFICATION (LLL, ERDA)
Elution
(°
103
104
105
107
108
109
113
114
117
135
138
Temperature
(-,., Compound
co2
dlethyl ether
acetaldehyde
ethyl formate
hydrocarbon
ethyl acetate
toluene
n-pentanal (tent.)
^i-hexanal
n-octanal
alcohol
ppb
NQ
NQ
NQ
210
3
1479
T
T
T
T
NQ
Elution Temperature
/ o p \ Compound
188
189
214
215
220
222
227
229
230
235
methyl propyl ketone (tent.)
d. -nitrobenzene (e$)
phenol
alcohol (tent.)
dimethylphenol isomer
cresol Isomer
C_-alkyl phenol isomer
C_-alkyl phenol isomer
ethylphenol isomer
C,-alkyl phenol isomer
ppb
NQ
59
NQ
450
257
T
19
279
T
456
-------
Table D29. SEMI-VOLATILE ORGANICS IN WATER (-18L) FROM DEWATERING WELL #4
AFTER IN SITU COAL GASIFICATION (LLL, ERDA)
Elution
92
95
97
99
100
108
110
111
120
134
142
147
161
166
173
175
177
177
187
196
199
202
209
215
221
222
224
225
229
230
232
232
233
234
235
236
237
238
239
240
240
240
240
240
240
Temperature
Compound
co2
acetaldehyde
ethyl formate
ethyl acetate
dimethyl ether
toluene
n_-pentanoic acid
n-hexanal (tent.)
n-hexanoic acid
ri-heptanoic acid
pentafluoropropionyl deriva-
tive (unknown)
n-octanoic acid
hydrocarbon
CgH.-O (cyclic ketone ?)
C7H1Q0 (ketone ?)
C0H,.0 isomer
0 -LZ
C-H.-O isomer
C-H.,.0 Isomer
acetophenone
d --nitrobenzene (eS)
naphthalene
methylaniline isomer or C-H-N
aniline
dimethylphenol isomer
C --alkyl phenol isomer
phenol
cresol isomer
C_-alkyl phenol isomer
ethylphenol isomer
dimethylphenol isomer
ethylphenol isomer
cresol isomer
dimethylphenol isomer
dimethylphenol isomer
cresol isomer
C,-alkyl phenol isomer
C --alkyl phenol isomer
C--alkyl phenol isomer
C,-alkyl phenol isomer
C.-alkyl phenol isomer
C, -alkyl phenol isomer
C,-alkyl phenol isomer
C -alkyl phenol isomer
C -alkyl phenol isomer
C--alkyl phenol isomer
ppb
NQ
NQ
866
1725
NQ
126
138
T
132
145
NQ
120
33
16
67
T
T
T
33
T
33
12
17
T
13
1572
T
T
T
3
1548
1560
9
T
T
T
T
10
13
1075
863
T
3
5.4
Elution Temperature
(°C) Compound ppb
240 C -alkyl phenol isomer 6.6
240 C.-alkyl phenol isomer T
240 C2-alkyl phenol isomer T
240 C--alkyl phenol isomer T
240 C -alkyl phenol isomer T
457
-------
Table D30. SEMI-VOLATILE ORGANICS IN WATER (-19L) FROM PRODUCTION WELL #1
AFTER IN SITU COAL GASIFICATION (LLL, ERDA)
Elution Temperature
92
96
97
99
101
101
109
111
112
123
137
141
151
159
161
Compound
co2
acetaldehyde
ethyl formate
ethyl acetate
dimethyl ether
hydrocarbon (?)
toluene
hydrocarbon (tent.)
C,H, .0. isomer (tent.)
O 1Z L
aldehyde (?)
n-octane
hydrocarbon (tent.)
n-nonanal
acetol acetate (?)
unknown
ppb
NQ
NQ
NQ
NQ
NQ
8.4
150
9
11
NQ
T
T
16
NQ
NQ
Elution Temperature
164
196
226
231
232
233
235
235
236
239
240
240
240
240
240
Compound
acetic acid
d_-nitrobenzene (eS)
_>
phenol
ethylphenol isomer
dimethylphenol isomer
cresol isomer
C~-alkyl phenol isomer
C.,-alkyl phenol isomer
cresol isomer
C.-alkyl phenol isomer
C.-alkyl phenol isomer
C_-alkyl phenol isomer
C^-alkyl phenol isomer
ethylphenol isomer
C^-alkyl phenol isomer
ppb
16
45
T
90
126
T
9
T
13
16
T
T
10
T
458
-------
Table D3l. SEMI-VOLATILE ORGANICS IN WATER (-20L) FROM PRODUCTION WELL //I
AFTER IN SITU COAL GASIFICATION (LLL, ERDA)
Elution Tempt
92
97
97
99
100
101
102
105
109
111
114
122
136
150
161
173
183
srature
Compound
C62
acetone
ethyl formate
ethyl acetate'
hydrocarbon (?)
dimethyl ether
hydrocarbon (?)
n-pentanal
toluene
h-hexanal
hydrocarbon (?)
n-Heptanal
ri-octanal
n-nona'nal
hydrocarbon (?X
acetic acid
hydrocarbon (?)
ppb
NQ
NQ
546
1209
T
NQ
T
T
9.0
T
T
3.0
10
39
9
T
NQ
Elution Temperature
196
211
222
224
229
230
231
233
233
234
239
240
240
240
240
240
Compound
d -nitrobenzene (eS)
hydrocarbon (?)
hydrocarbon (?)
phenol
cresol isomer
ethyl phenol isomer
dimethylphenol isomer
dimethylphenol isomer
cresol isomer
C,-alkyl phenol isomer
dimethylphenol isomer
C-j^alkyl phenol isomer
j
dimethylphenol isomer
ethylphenol isomer
C--alkyl phenol isomer
Cj^Hj^ isomer (tent.)
ppb
T
T
T
T
T
T
T
T
T
T
T
45
49
T
T
459
-------
Table D32. SEMI-VOLATILE ORGANICS IN TAR (-1L) FROM IN SITU COAL
GASIFICATION DURING HANNA #2, PHASE I (LERC, ERDA)a
Elution Temperature
92
97
97
98
99
101
101
102
103
104
105
106
108
109
110
111
111
112
113
115
115
115
117
119
120
120
122
122
123
124
126
127
128
130
130
131
131
132
133
133
134
134
135
136
Compound
co2
hydrocarbon (unknown)
ethyl formate
acetone
ethyl acetate
n-nonane
dimethyl ether
CgH18 isomer
C.. nH_. isomer
CgH g isomer
C10H20 is°mer
n-decane
C.. rtH-n isomer
toluene
Cn-Hn, isomer
11 24
C,H_ -0 isomer
O L2.
C10H20 isomer
C11H22 isomer
n-undecane
C H^2 isomer
ethylbenzene
C, , H-_ isomer
xylene isomer
xylene isomer
C12H26 isomer
C- . H-,., isomer
C, oHOQ + C_-alkyl benzene
U Zo j
isomer
C-H-,0 ketone Isomers
ri-dodecane
xylene isomer
n-propylbenzene
C12H24 lsomer
ethyl toluene isomer
C14H30 isomer
trimethylbenzene isomer
C12H24 lsomer
C..,H-, isomer
13 26
styrene
C13H28 isomer
C,-alkyl benzene isomer
C13H26 isomer
C^-alkyl benzene isomer
CgH^,0 ketone isomer (tent.)
trimethylbenzene isomer +
n-tridecane
Elution Temperature
138
139
139
140
140
141
142
142
144
146
146
147
148
149
149
150
152
152
153
154
155
156
156
159
160
160
161
162
163
164
165
166
166
167
167
168
169
170
171
171
172
172
173
174
(continued)
460
Compound
C.-alkyl benzene isomer
C.-alkyl benzene isomer
C -H-, isomer
13 26
n_-butylbenzene
C14H28 lsomer
C.-alkyl benzene isomer
C.-alkyl benzene isomer
C, ,H_, isomer
U /D
trimethylbenzene isomer
C.-alkyl benzene isomer
methylstyrene
C. eH^« isomer
C.-alkyl benzene isomer
indan or C.H... isomer
C.H. _0 isomer
9 18
ji-tetradecane
C.-alkyl benzene IsomW
methylindan or C..-!!-- isomer
C.-alkyl benzene iSbmer
n-pentylbenzene 4 SIA^TS
isomer
C16H34 lsomer
C.-alkyl benzene isomer
C ,H_a + C.-alkyl benzene
isomers
C.-alkyl benzene isomer
C,-alkyl benzene isomer
o
C H -(- C H -ianrtiari
14 28 10 22 130™er3
C^ .H^,j isomer
C15H30 ls°mer
ri-pentadecane + C..iH-2 isomer
indene
C.-alkyl benzene isomer
benzofuran + ci I^IA isomers
C10^12 ^somer
C11H14 isomer
phenyl-ii-hexane
C. _H „ isomer
C11H14 isomer
C,-alkyl benzene istime'r
C..H... isomer
C-H.-O isomer
CgH -0 isomer
C. ,H_0 isomer (tent.)
Lj £o
hydrocarbon (unknown)
C -alkyl benzene isomer
-------
Table D32 (cont'd)
Elution Temperature
175
177
177
178
180
181
182
182
184
137
188
139
190
191
192
193
194
195
196
197
198
199
200
201
201
202
203
204
205
206
208
208
209
210
210
211
211
212
213
214
214
215
Compound
C11H14 lsomer
C1 , H.. , isomer + n-hexadecane
methylindene isomer
methylbenzofuran isomer
methylbenzofuran isomer
methylindene isomer
phenyl-n-heptane + C. «H,2
isomer
C, -H, , isomer
1^ ID
CUH14 isomer
Cg-allcyl benzene isomer
C13H18 + C17H36 iaomers
dimethylbenzofuran isomer
C. .H- , isomer
C-.H.j or methyldihydronaphtha-
lene + C, ,H, . isomers
Lj lo
dimethylbenzofuran isomer
C13H18 ±S°mer
C11H12 isomer
n-nonadecane
C11H12 isomer + Phenyl-n-
octane
d_-nitrobenzene (eS)
5
naphthalene
hydrocarbon (unknown)
C1AH20 isomer
C. H.. - isomer
methylaniline + C^alkyl
aniline isomers
C12H16 isomer
C. ,H. , isomer
C20H42 iSOmer
2 , 3-benzothiophene
C21H42 isomer
C15H22 isomer
aniline
hydrocarbon (unknown)
C15H22 isomer (tent-)
n— nonadecane
methylnaphthalene isomer
C2-alkyl aniline isomer
hydrocarbon (unknown)
C.5H22 isomer
dimethylphenol isomer
benzylamine or methylaniline
Elution Temperature
216
216
217
219
220
221
221
221
221
222
222
222
223
223
224
225
225
227
228
229
229
230
230
231
232
233
233
235
235
235
236
237
237
237
238
238
239
240
240
240
240
240
C14H20 isomer (continued)
461
Compound
methylnaphthalene isomer
C-HgN isomer
C14H10 lsomer
pentameChylindan isomer
C--alkyl phenol isomer
C19H38 isomer
cresol isomer
C.-alkyl aniline isomer
phenol
ethylnaphthalene isomer
quinoline
cresol isomer
C _H2 isomer
methylquinoline isomer
n-eicosane
dimethylnaphthalene isomer
C,-alkyl phenol isomer
biphenyl
ethylphenol isomer
dimethylnaphthalene isomer
dimethylphenol isomer
dimethylnaphthalene isomer
cresol isomer
cresol isomer
ethylphenol isomer
dimethylphenol isomer
C,,-alkyl phenol isomer
dimethylnaphthalene
isomer
C,-alkyl i .ienol isomer
methylquinoline + methylphenan-
threne isomers
C,-alkyl naphthalene isomer
n-heneicosane
C.-alkyl phenol isomer
C.-alkyl quinoline isomer
dimethylnaphthalene isomer
dimethylphenol isomer
C,-alkyl phenol isomer
C.-alkyl phenol isomer
C.-alkyl naphthalene isomer
C,-alkyl naphthalene isomer
C.-alkyl phenol isomer
C,-alkyl phenol isomer
-------
Table D32 (cont'd)
Elution Temperature
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
Compound
G_-alkyl phenol
tri-sec-butylphenol isomers
C_-alkyl naphthalene isomer
C, -alkyl naphthalene isomer
acenaphthene
C,-alkyl phenol isomer
C -alkyl phenol isomer
C.,-alkyl phenol isomer
C,-alky}. naphthalene isomer
tributylphenol isomer
C, -alkyl phenol isomer
biphenylene
C-,-alkyl phenol isomer
C -alkyl naphthalene + C,-
alkyl phenol isomers
C_-alkyl naphthalene isomer
C^-alkyl naphthalene isomer
C, -alkyl phenol isomer
C_-alkyl naphthalene isomer
dibenzofuran
C, -alkyl phenol isomer
hydrocarbon (unknown)
alkyl phenol
C14H10 iS°mer
f luorene
Cg-alkyl phenol isomer (tent.)
C^-alkyl quinoline isomer
Elution Temperature
(°q) Compound
Sample was not quantitated, since :U had been collected and stored for
several months before analysis. '
462
-------
Table D33. SEMI-VOLATILE ORGANICS IN WATER (-2L) FROM WELL #5,
HANNA #2 (LERC, ERDA)
Elution Temperature
(°C)
93
104
107
112
114
116
127
127
140
141
146
153
154
155
166
169
169
171
173
180
181
183
Compound
co2
hydrocarbon (unknown)
aldehyde (unknown)
toluene
n-hexanal
hydrocarbon (unknown)
hydrocarbon (unknown)
ii-hep tanal
hydrocarbon (unknown)
n-oc tanal
n-tridecane
n-tetradecane
aldehyde (tent.)
n-nonanal
n-pentadecane
n-de canal
C. _H,Q isomer
hydrocarbon (unknown)
hydrocarbon (unknown)
n-hexadecane
C,,H0, isomer
17 Jo
C15H3Q isomer (tent.)
ppb
NQ
NQ
NQ
T
T
NQ
NQ
3
NQ
7.2
16.2
11.4
13.8
33
10.8
12.6
2.4
NQ
NQ
10.2
1.8
T
Elution Temperature
(°C)
187
193
196
203
205
206
217
217
230
231
233
235
238
239
240
240
240
240
240
240
240
240
Compound
C,_H.^ isomer
Lt JO
ri-heptadecane
C,-.H, . isomer
17 34
d. -nitrobenzene (eS)
n-octadecane
hydrocarbon (unknown)
n-nonadecane
methylnaphthalene isomer
phenol
C -H . isomer (tent.)
C--alkyl naphthalene isomer
hydrocarbon (unknown)
dimethylphenol isomer
cresol isomer
dimethylphenol isomer
dimethylphenol isomer
C.,-alkyl phenol isomer
C -alkyl phenol isomer
ethylphenol isomer
ethylphenol isomer
C, -alkyl phenol isomer
C--alkyl phenol isomer
ppb
5.4
10.8
T
13
NQ
4.2
29
22
T
1.2
NQ
279
192
T
17
T
T
35
33
T
4.8
463
-------
Table D34. SEMI-VOLATILE ORGANICS IN WATER (-3L)
FROM WELL #6, HANNA #2 (LERC, ERDA)
Elution
Temp.
94
94
95
95
97
99
99
102
102
117
119
120
128
130
147
147
Compound
n-butanal
acetone
C,H., , isomer (tent.)
/ Ib
benzene
n-pentanal
C Hn. isomer (tent.)
O lo
toluene
methylbutanal isomer
n-hexanal
n-heptanal
cyclopentanone
C.H. ,0 isomer
o ID
2-octanone (tent.)
n-octanal
n-heptanol
methylcyclohexanol
ppb
NQ
NQ
T
15
7.2
9
T
6.6
T
23
T
1.2
4.8
I
14
T
Elution
Temp . Compound
150
151
152
186
213
214
221
225
229
231
233
234
235
239
240
C-H, ,0 isomer
/ ID
2-ethyl-l-hexanol
CgH^-O isomer
dc-nitrobenzene (eS)
j
phenol
cresol isomer
dimethylphenol isomer
cresol isomer
cresol isomer
dimethylphenol isomer
C_-alkyl phenol isomer
dimethyl phenol isomer
ethylphenol isomer
C -alkyl phenol isomer
C--alkyl phenol isomer
ppb
T
53
17
207
50
246
32
11
55
T
126
122
T
55
464
-------
Table D35. SEMI-VOLATILE ORGANICS IN WATER (-4L) FROM WELL #6,
HANNA #2 (LERC, ERDA)
iiiution temperature
(°C) Compound
No serai-volatiles were detected, detection
limit was ^1 ppb.
Elution Temperature
C°C) Compound
465
-------
Table D36. SEMI-VOLATILES ORGANICS IN WATER (-5L) FROM WELL #5,
HANNA #2 (LERC, ERDA)
Elution
Temp.
98
99
100
101
102
104
106
108
111
112
114
115
Compound
benzene
C H .0 isomer (tent.)
n-pentanal
C^H, . isomer (tent.)
7 16
methylbutanal isomer
C-.H, , isomer
7 16
toluene
n-hexanal + C0Hno isomer
— o lo
CgH2Q isomer (tent.)
CnH10 isomer (tent.)
y io
C-.H-.0 isomer (tent.)
7 14
n-heptanal
ppb
T
7.8
22
3
T
T
T
T
1.8
T
T
97
Elution
Temp . Compound
116
127
128
131
142
148
155
159
187
215
229
C-H, .0 isomer (tent.)
0 ID
methylheptanone
n-octanal (tent.)
C-H, ,0 isomer
7 16
n-nonanal
C,H 0, isomer (tent.) +
0 1U L
C,H.,0 isomer (tent.)
2-ethyl-l-hexanol
benzaldehyde
d --nitrobenzene (eS)
phenol
C.-alkyl phenol isomer
ppb
T
T
T
T
T
49
29
T
32
46
466
-------
Table D37- SEMI-VOLATILE ORGANICS IN PRODUCT WATER SAMPLE #1 (-8L) FROM
WELL 5-6 _IN SITU COAL GASIFICATION (LERC)
Elution Temperature
100
104
105
109
111
112
116
118
120
121
123
127
129
134
139
141
144
146
147
152
156
159
160
172
O
Compound
methyl ethyl ketone
2-pentanone
C H 0^ (carboxylic acid)
pentanoic acid
2-methylpentanoic acid
C-H- _0 isomer
b I.L.
C6H12°2 (carboxylic acid)
C6H1?°2 (carboxylic acid)
n-hexanoic acid
cyclop en tanone
methylcyclopentanone isomer
C-.H-..0- isomer
7 14 2
C7H14°2 isomer
n-heptanoic acid
anisole
C H _0 (carboxylic acid)
o I/ L
methylpyridine isomer
n-octanoic acid
C7H „ isomer
ethylphenol isomer
C,H, ,0 isomer (tent.)
7 14
indene
benzofuran
C10H12 ±Somer
ppb
9
13.8
18
12
3
2.4
1.8
2.0
108
12.6
T
4.2
3.6
125
6.6
T
4.2
148
T
9
NQ
T
T
T
Elution Temperature
173
174
175
175
177
178
181
182
184
185
192
200
203
205
207
211
217
222
223
225
226
227
230
235
Compound
C^H1 „ isomer
benzonitrile
C0H. , isomer
8 14
C10H10 lsomer
unknown
C9H16 + C3-alkylpyridine
isomer
acetophenone
C. ..H- , isomer
11 14
C, .H_ , isomer
12 16
d^-nitrobenzene (e$)
naphthalene
phenol
aniline
dimethylphenol isomer
692
isopropylphenol isomer
cresol isomer
C.-alkyl phenol isomer
C-j-alkyl phenol isomer
cresol isoraer
dimethylphenol isomer
cresol isomer
C2~alkyl phenol isomer
C_-alkyl phenol isomer
ppb
3
T
8.4
4.3
NQ
T
T
T
T
3
15400
45.6
113
T
3
3600
34
16800
210
106
93
19.2
Acids and bases were determined
propionyl amides, respectively.
semi-volatile acid fraction.
as their methyl esters and pentafluoro-
See Table 9 for complete listing of
467
-------
Table D38. SEMI-VOLATILE ORGANICS IN PRODUCED WATER (-9L) FROM WELL 5-6
IN SITU COAL GASIFICATION (LERC, ERDA)
Elution Temperature
(°C) Compound
100
102
104
106
108
109
111
112
112
112
113
116
117
118
120
120
122
123
123
124
126
126
127
128
128
129
130
131
132
137
Acids and
propionyl
methyl ethyl ketone
C.H' 0 isomer
2-pentanone
toluene
ji-hexanal
n-pentanoic acid
C,HlnO_ (carboxylic acid)
4-methyl-2-pentanone
benzoic acid
C6H12°2 (carboxylic acid)
C-H.g isomer
toluic acid isomer
toluic acid isomer
n-heptaldehyde
cyclopentanone
n-hexanoic acid
C2-alkyl benzene isomer
2-methylcyclopentanone
C6H10 isomer
C10H20 1SOmer
C?H1402 (carboxylic acid)
C, -alkyl benzene isomer
3-raethylcyclopentanone
C,H..,0, (carboxylic acid)
D L£ £.
C,H, ,.0 isomer
o 1U
C1QH22 isomer
^i-octanal
C_-alkyl benzene isomer
n-heptanoic acid
dimethylpyridine isomer
bases were determined
amides, respectively.
ppb
6.6
2.4
220
576
160
48
140
36
T
T
T
490
390
48
680
2680
T
110
24
T
T
T
T
T
T
12
36
T
8870
580
Elution Temperature
(°C) Compound
138
139
139
140
142
144
145
146
146
146
151
159
159
160
169
171
173
189
193
197
199
205
214
222
223
224
as their methyl
3-methylpyridine isomer
4-methylpyridine isomer
anisole
2-n-propylpyridine
2, 5-dimethyl-2-cyclopentenone
C.H,_0 isomer
D 1U
C-H^, isomer
cyclohexenone or ethylcyclo-
pentene isomer
C--alkyl benzene isomer
n-octanoic acid
methylanisole isomer
indene
C-H^ , isomer (tent.)
benzofuran
unknown
C1QH12 isomer
cyanobenzene
d_-nitrobenzene (eS)
C -alkyl phenol + C.-alkyl
phenol isomers
cresol isomer
aniline
ethylphenol isomer
ppb
250
100
230
T
36
48
78
T
830
1230
36
11
T
T
NQ
T
54
2560
9
1290
42
phenol 22200
C -alkyl phenol isomer 4860
cresol isomer 10900
cresol isomer
esters and pentafluoro-
4660
468
-------
Table D39. SEMI-VOLATILE ORGANICS IN TAR (-10T) FROM WELL 5-6
.IN SITU COAL GASIFICATION (LERC, ERDA)
Elution Temperature
92
96
98
100
100
100
100
101
101
102
103
104
106
107
108
110
110
112
114
115
116
116
117
119
120
121
122
125
126
127
128
129
130
130
131
131
132
132
133
134
136
137
137
138
138
Compound
co2
n-octane
ethyl formate
hydrocarbon
ethyl acetate
n-nonane
C^H22 isomer
cqH g isomer
dimethyl ether
C H isomer
C10H20 lsomer
ri-decane
C10H20 isomer
toluene
C,,H isomer
11 24
C10H20 lsomer
C11H22 + C10H18 isomers
n-undecane
C.. ^ H~~ isomer
ethylbenzene
GI ^ H-- isomer
j3-xylene
m-xylene
C12H24 isomer
C --alkyl benzene isomer
C.. ~H_Q isomer
n-dodecane + o-xylene
ii-propylbenzene
C,_H-, isomer
12 24
ethyltoluene isomer
C.,H-g isomer
trimethylbenzene isomer
C13H28 isomer
dimethylpyridine isomer
styrene
methylpyridine isomer
C--alkyl benzene isomer
C,-alkyl benzene isomer
C, ,H_, isomer
13 26
trimethylbenzene isomer +
ri-tridecane
C -alkyl pyridine isomer
C, -alkyl benzene isomer
C,-alkyl pyridine isomer
C., -H. , isomer
1 J zo
n-butylbenzene
ppm
NQ
40
NQ
NQ
6800
2267
1100
373
NQ
100
T
3380
113
2667
T
T
73
3747
280
87
T
1400
1334
T
T
T
5040
80
T
3747
513
240
T
973
T
47
693
513
T
5100
327
34
T
T
113
Elution Temperature
139
140
140
141
142
143
144
144
145
145
146
147
147
148
149
149
149
149
150
151
151
151
152
153
153
154
154
154
155
156
157
157
159
160
162
162
164
164
165
166
167
168
169
169
(continued)
Compound
C14H28 1S°mer
C. -alkyl benzene isomer
C,,H_, isomer
1J Zo
C15H30 lsomer
trimethylbenzene isomer
C.-H-- isomer
u Zb
C, -alkyl benzene isomer
methylstyrene isomer
dimethylpyridine isomer
C, -alkyl benzene isomer
C.H- . isomer
n-tetradecane
C _-alkyl pyridine isomer
n-octanoic acid
C -alkyl benzene isomer
n-nonanal
C. -alkyl pyridine isomer
C H isomer
C^-alkyl benzene isomer
n-pentylbenzene
C, -alkyl pyridine isomer
C16H34 lsomer
C, -alkyl pyridine isomer
C..H0. + Ce-alkyl benzene
14 28 5
isomers
C. -alkyl pyridine isomer
C -alkyl benzene + Cg-alkyl
benzene isomers
Cj. -alkyl pyridine isomer
dime thy le thy Ipyridine isomer
C, -alkyl benzene isomer
C,.-alkyl benzene isomer
C.-alkyl benzene isomer
o
C r^on isomer
C, cH™ isomer
n-pentadecane + CnnH12 isomer
indene
C, -alkyl benzene isomer
C10H12 + C11H14 isomers
C10H12 isomer
phenyl-n-hexane
C15H30 1SOmer
dimethylindan isomer
C, -alkyl benzene isomer
0
C..H Q isomer
C-H..-0 isomer
ppm
T
T
127
T
2433
413
34
207
T
180
T
1507
T
34
1140
613
53
113
T
307
T
20
T
273
T
20
T
7
47
T
T
173
T
74
1467
T
1040
1147
143
T
133
75
T
T
469
-------
Table D39 (cont'd)
Elucion Temperature
(°C)
170
172
173
175
175
176
178
178
179
179
180
180
181
184
185
187
188
189
189
191
192
193
194
195
196
197
199
199
200
202
203
204
206
207
207
207
209
209
211
212
212
213
215
215
Compound
C15H28 isomer
C.-alkyl benzene isomer
(tent.)
C, ~H_ , isomer
1Z ID
n-hexadecane
methylindene isomer
methylbenzof uran isomer
methylbenzofuran isomer "^
methylindene isomer )
C16H32 Isomer J
phenyl-n-heptane
C-_H_ , isomer
I/ lb
C_ _H- , isomer
I / Jo
C-.-H- , isoraer
11 14
Cp-alkyl benzene isomer
(tent.)
C, n H, isomer
11 14
dimethylbenzofuran isomer
C-«H-, isomer
Iz lo
C17H36 + C11H12 lsom«s
C13H18 isomer
dimechylbenzof uran isomer
C H isomer
C19H40 lsomer
C19H38 isomer
d- -nitrobenzene (e§)
naphthalene
n-octadecane
C14H20 lsomer
C_H N isomer
C19H38 + C12H16 lsraiers
C14H20 lsomer
2, 3-benzothiophene
hydrocarbon
C, -H.. - isomer
lJ lo
C18H38 lsomer
C.H. .N isomer
o il
aniline
methylnaphthalene isomer
n-nonadecane
Cn .H- , isomer
io Jo
C_H_N isomer
dimethylphenol isomer
methylnaphthalene isomer
CyHgN isomer
pentamethylindane isomer
ppm
120
T
T
1600
776
280
2907
193
T
7
87
100
107
20
T
147
T
T
127
T
53
13000
207
780
280
20
T
227
80
113
T
187
1400
6253
653
780
533
1033
5720
1267
20
Elution Temperature
(°C)
217
219
220
220
221
221
222
222
222
223
224
225
226
227
227
229
230
231
231
232
232
232
234
234
235
235
236
236
237
238
238
239
240
240
240
240
240
240
240
240
(continued)
Compound
C--alkyl phenol isomer
C H isomer
ethylnaphthalene isomer
C.-alkyl naphthalene isomer
n-eicosane
quinoline
dimethylnaphthalene isomer
cresol isomer
methylquinoline or C^.H-N
isomer
phenol
biphenyl
dimethylnaphthalene isomer
C-.H..., isomer (tent.)
dimethylnaphthalene isomer
C_-alkyl phenol isomer
C.-alkyl phenol isomer
(ethylphenol ?)
dimethylphenol isomer
dimethylnaphthalene isomer
cresol isomer
C,-alkyl naphthalene isomer
n-heneicosane
cresol isomer
C.-alkyl naphthalene isomer
unknown
methylbiphenyl isomer
C.-alkyl quinoline isomer
(tent.)
C -alkyl phenol isomer
C -alkyl naphthalene isomer
dimethylphenol isomer
trimethylnaphthalene isomer
C -alkyl phenol isomer
C, -alkyl phenol isomer
tri-sec-butylphenol isomer
dimethylphenol isomer
biphenylacetylene or C ,H
isomer
C,-alkyl naphthalene isomer
C, -alkyl naphthalene isomer
acenaphthene
C, -alkyl phenol isomer
C_-alkyl phenol isomer
ppm
78
T
367
T
93
1087
4733
9607
113
1090
380
T
340
525
370
393
4653
213
10233
T
587
11680
353
NQ
t
100
1400
T
334
T
613
340
100
720
153
T
T
580
T
120
470
-------
Table D39 (cont'd)
Elution Temperature
(°C) Compound
240 C -alkyl naphthalene isomer
C -alkyl phenol isomer
C -alkyl naphthalene isomer
tri-butylphenol isomer
C, -alkyl phenol isomer
biphenylene
C -alkyl phenol isomer
C -alkyl naphthalene isomer
C. -alkyl naphthalene isomer
C -alkyl naphthalene isomer
C, -alkyl phenol isomer
dibenzof uran
C, -alkyl phenol isomer
C,-alkyl phenol + alkyl
naphthalene isomers
fluorene
C -alkyl phenol isomer
2,4, 6-tri-sec-butylphenol
C_-alkyl phenol isomer
C_-alkyl phenol isomer
C -alkyl naphthalene isomer
C -alkyl phenol isomer
C.-alkyl phenol isomer
tri-butylphenol isomer
1, 6-dimethyl-4-isopropyl-
uaphthalene
C --alkyl phenol isomer
C, -alkyl phenol isomer
C. . H.. „ isomer
14 10
hydroxyf luorene or dimethyl-
biphenyl isomer
* dimethylphenanthrene
ppm
T
805
T
93
T
T
260
T
180
35
T
593
27
34
293
T
T
8807
4087
107
T
390
3033
T
2806
853
T
T
T
Elution Temperature
(°C) Compound
471
-------
Table D40. SEMI-VOLATILE ORGANICS IN PRODUCED WATER (-11L) FROM WELL 5-6
IN SITU COAL GASIFICATION (LERC, ERDA)
Elution
Temp.
97
99
100
100
100
101
102
102
102
103
103
104
105
105
106
106
107
107
107
108
109
110
111
112
112
112
113
115
116
117
117
118
119
119
119
120
120
122
123
123
125
126
127
Compound
methyl ethyl ketone
benzene
2-pentanone
n-pentanal
methyl isopropyl ketone
n-butanoic acid
3-pentanone
isopentanoic acid
a-methylbutatioic acid
4-methyl-2-pentanone -r
isobutyronitrile
C.H, , isomer
o Ib
3-methyl-2-pentanone
toluene
propionitrile
3-hexanone
unknown
unknown
2-hexanone
n-pentanoic acid
2-methylpentanoic acid
a-me thy Ibutyronit rile
n-butyronitrile
S-methylpentanoic acid
unknown
ethylbenzene
C7H14°2 isomer
£-xylene
unknown
methylhexanal isomer
ri-hexanoic acid
n-hexanal
o-xylene
cyclopentanone
C --alkyl thiophene isomer
n-pentyluitrile
2-pentylfuran (cent.)
methylcyclopentanone isomer
isopropylbenzene
C8H16°2 lsomer
methylcyclopentanone isomer
C.H.,,0- isomer
o ID L
styrene
2-methylcyclobutane carboxylic
acid
ppb
246
3
16
T
246
96
T
120
T
6
9
1.2
150
T
T
NQ
NQ
9
840
35
T
16
67
NQ
3
218
8.4
NQ
17
119
T
15
T
T
462
T
28
T
23
9
4.8
T
T
Elution
Temp.
128
132
136
148
150
152
156
158
158
183
188
194
199
206
208
213
221
222
223
229
229
230
232
232
234
235
236
239
240
Compound
n-heptanoic acid
n-butylbenzene
anisole
methyl-p_-cresyl ether
n-pentadecane
n-nonanal (tent.)
indene
pyrrole
benzofuran
C .,H , isomer
d(.-nitrobenzene (e2)
unknown
aniline
dimethylphenol isomer
dimethylphenol isomer
phenol + cresol isomer
ethylphenol isomer
dimethylphenol isomer
cresol isomer
C -alkyl phenol isomer
C -alkyl phenol isomer
dimethylphenol isomer
C -alkyl phenol isomer
C -alkyl phenol isomer
C^-alkyl phenol isomer
C -alkyl phenol isomer
C -alkyl phenol isomer _^
C -alkyl phenol iscmer
C -alkyl phenol isomer
ppb
462
9
126
64
T
6
99
213
T
T
NQ
966
471
34
> saturated
472
-------
Table D41. SEMI-VOLATILE ORGANICS IN PRODUCED TAR (-12T) FROM WELL 5-6
IN SITU COAL GASIFICATION (LERC, ERDA)
Elution Temperature
CO
93
97
97
99
99
100
102
102
103
103
105
108
109
110
110
111
113
116
116
117
118
119
119
120
121
123
123
124
127
128
129
129
130
130
131
132
133
134
135
136
136
136
139
140
140
141
Compound
co2
ethyl formate
ii-octane
ethyl acetate
CgH2 isomer
n-nonane
C QH22 isomer
dimethyl ether
C-H „ isomer
C10H22 *somer
n-decane
C10H20 iSOmer
toluene
C10H28 + C11E22 isomers
C11H24 isomer
C,.H, 00 isomer
O L£.
n-undecane
C, _ H__ isomer
ethylbenzene
xylene isomer
xylene isomer
C12H26 is°mer
xylene isomer
C11H22 isomer
C, _H_, isomer
l£ /o
isopropylbenzene
C1 ,H-8 isomer
n-dodecane
n-propylbenzene
C 2H24 ^somer
ethyltoluene isomer
C2-alkyl pyridine isomer
C13H2g isomer
methylp'yridine isomer
trimethylbenzene isomer
C.7H,,, isomer
styrene
ethyltoluene isomer
C, -alkyl benzene isomer
C, -alkyl pyridine isomer
n-tridecane
trimethylbenzene isomers
C, -alkyl benzene isomer
C,,H_, isomer
i j zb
n_-butylbenzene
C14H28 is°mer
ppm
NQ
NQ
800
NQ
T
1520
240
NQ
160
T
3520
280
840
T
T
T
2080
1160
300
T
1660
420
820
T
T
T
T
3700
60
T
1540
580
T
T
260
T
T
340
T
440
2300
1240
T
T
T
T
Elution Tempers
CO
142
143
144
144
144
145
146
146
147
147
148
149
149
151
152
153
154
155
156
157
158
159
160
161
162
163
164
164
165
166
166
167
168
169
170
172
175
176
178
178
180
180
181
(continued)
473
iture
Compound
C, -alkyl benzene isomer
C ,H isomer
C2-alkyl pyridine isomer
C, -alkyl benzene isomer
trimethylbenzene isomer
C -alkyl pyridine isomer
C, -alkyl benzene isomer
methyls tyrene or CqH, n isomer
C, -alkyl benzene isomer
C^-alkyl pyridine isomer
C, -alkyl benzene isomer
indan + n-tetradecane
C, -alkyl pyridine isomer
C, -alkyl benzene isomer
C_-alkyl benzene isomer
methylindan isomer
C1,.H_, isomer + n-pentyl-
benzene
C14H28 is°mer
C rH30 + C, -alkyl benzene
isomers
C- -alkyl benzene isomer
C, -alkyl benzene isomer
C,--alkyl benzene isomer
C,--alkyl benzene + ^-.H™
isomers
C, -alkyl benzene isomer
o
n-pentadecane
meChylindan isomer
indene
C, -alkyl benzene isomer
CL -alkyl indan isomer
benzofuran
C. -H. „ isomer
C11H14 isomer
C15H30 is°mer
C?-alkyl indan isomer
C1 t-H.,. isomer
C^ e-H^p isomer
C11H14 isomer
n-hexadecane
mechylindene isomer
methylbenzofuran isomer
methylbenzof uran isomer
methylindene isomer
C-.H-, isomer
LI ID
ppm
T
200
T
T
820
740
T
T
T
T
T
1180
1020
540
500
T
300
T
T
20
40
T
30
T
1240
300
1580
T
T
780
T
T
T
40
T
120
T
40
260
T
660
280
T
-------
Table D41 (cont'd)
Elution Temperature
182
183
184
186
190
190
191
192
193
193
195
195
196
197
197
197
197
201
201
203
203
205
207
207
209
209
209
211
212
215
215
215
215
215
217
217
218
219
219
221
222
223
223
224
Compound
trimethylindan isomer
C.-alkyl indan isomer
C.,H.~ isomer
ib jt
C.-alkyl benzene + C.-H.g
isomers
C .H. , isomer
C17H34 isomer
n-heptadecane
dimethylbenzofuran isomer
C13H18 lsomer
C1 .. H. ,j isomer
phenyl-n-octane (tent.)
C H. 2 isomer
C17H34 isomer
d_-nitrobenzene (eS)
n-octadecane
naphthalene
C,HgN isomer
C12H16 isomer
C0H, .N isomer
0 11
aniline
C, .H, , isomer
12 16
2 , 3-benzothiophene
n-nonadecane
C13H1S l30mer
C14H20 lsomer
C H isomer
C.,H.N isomer
methylnaphthalene isomer
benzylamine
phenol
dimethylphenol isomer
C.H1nN isomer
0 1J.
cresol isomer
methylnaphthalene isomer
pentamethylindan isomer
quinoline
n-eicosane
C -alkyl phenol isomer
methylquinoline isomer
ethylnaphthalene isomer
C20H42 lsomer
C -alkyl naphthalene isomer
dimethylnaphthalene isomer
C^-alkyl phenol isomer
ppm
T
T
20
80
T
T
40
20
T
T
T
50
T
320
16400
60
60
250
1380
T
80
1540
T
T
520
260
5100
60
580
T
T
12180
2860
60
140
2200
80
340
120
700
1280
T
T
Elution Temp
225
225
226
228
228
229
229
230
231
231
231
232
232
233
233
234
234
235
236
236
236
237
237
238
238
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
srature
Compound
biphenyl
methylquinoline isomer (tent.)
C.-alkyl phenol isomer
dimethylnaphthalene isomer
cresol isomer
ethylphenol isomer
n-heneico sane
ethylphenol isomer
dimethylphenol isomer
ppm
60
T
T
4000
340
100
1140
T
3520
cresol isomer 16860
C.-alkyl quinoline isomer
(tent.)
C.-alkyl phenol isomer
C, -alkyl phenol isomer
C.-alkyl naphthalene
isomers
C.-alkyl phenol isomer
C.-alkyl naphthalene isomer
C.-alkyl phenol isomer
dimethylnaphthalene isomer
C, . H., . isomer
14 10
C, -alkyl phenol isomer
di-sec-butylphenol isomer +
unknown
C.-alkyl phenol isomer
dimethylphenol isomer
C.-alkyl naphthalene isomer
ethylphenol isomer (tent.)
C.-alkyl naphthalene isomer
n-C22H4f. isomer
C, -alkyl phenol + tri-sec-
butylphenol (tent.)
dimethylphenol isomer
acenaphthene
C, -alkyl phenol isomer
C.-alkyl naphthalene isomer
C, -alkyl phenol isomer
tri-butylphenol isomer
biphenylene
C.-alkyl phenol isomer
C.-alkyl naphthalene isomer
C.-alkyl phenol isomer
C.-alkyl naphthalene isomer
C^-altcyl phenol + C.-alkyl
naphthalene isomers (tent.)
T
I
T
140
T
100
T
T
T
120
3440
140
160
T
T
T
60
1160
T
820
T
T
7300
4760
T
T
T
T
T
140
(continued)
474
-------
Table D41 (cont'd)
Elution Temperature
(°C)
240
240
240
240
Compound
C,-alkyl phenol isomer (tent.)
f luorene
mechylphenanthrene isomer
dimethylisopropylnaphchalene
iSomer (tent.)
ppm
T
140
f
T
Elution Temperature
(°C) Compound
475
-------
Table D42. SEMI-VOLATILE ORGANICS IN PRODUCED WATER (-13L) FROM WELL 5-6
IN SITU COAL GASIFICATION (LERC, ERDA)
Elution
Temp.
97
98
99
99
100
101
101
101
102
103
103
104
104
105
105
106
106
107
107
107
108
109
110
111
112
112
113
114
116
117
118
119
119
120
121
122
123
124
128
132
136
141
145
Compound
C.IL- isomer
methyl ethyl ketone
methyl isopropyl ketone
propanal
benzene
n-butanal
2-pentanone
n-butyric acid
4-methyl- 2-pentanone
isopentanoic acid
3-methyl-2-pentanone
n-propionitrile (tent.)
C H. 0- carboxylic acid
toluene
3-hexanone
C H 0 carboxylic acid
2-methyl-l , 3-dioxane
2-hexanone
n-pentanoic acid
2-methylpentanoic acid
a-methylbutyronitrile
n-fautyronitrile
C-H. .0 isomer
7 14
ethylbenzene
p_-xylene
isohexanoic acid
Cj-alkyl benzene isomer
unknown
_n-hexanoic acid
£-xylene
ti-pentylnitrile
cyclopentanone
methylcyclopentanone + n-
propylbenzene
CaH.,0, carboxylic acid
o ID L
2-n-pentylfuran
C.H 0 isomer
O 1U
C0H 0 carboxylic acid
o i.u Z
isoheptanoic acid
n-heptanoic acid
n-butylbenzene
anisole
ii-octanoic acid
ri-pentylbenzene
ppb
NQ
NQ
NQ
NQ
156
NQ
1170
90
80
170
110
130
42
90
T
T
T
140
1060
260
T
84
T
I
140
190
T
NQ
1470
66
T
48
T
T
T
48
78
30
870
18
100
110
T
Elution
Temp . Compound
149 £-cresyl methyl ether
153 dimethylpyridine + methylethyl-
pyridine isomers
156 cinH12 ^somer
156 indene
157 pyrrole
158 benzofuran
189 de-nitrobenzene (eS)
201 aniline
204 dimethylphenol isomer
215 phenol + cresol isomer
217 dimethylphenol isomer
220 ethylphenol isomer
221 dimethylphenol isomer
222 cresol isomer
223 cresol isomer
227 C -alkyl phenol isomer
227 C -alkyl phenol isomer
229 C3-alkyl phenol isoinei'
231 dimethylphenol isomer
235 C -alkyl phenol isomer
237 C -alkyl phenol idomer
ppb
18
12
T
96
270
90
3460
990
270000
600
18
60
850
10200
170
180
830
7800
6
8100
476
-------
Table D43. SEMI-VOLATILE ORGANICS IN PRODUCED WATER (-14L) FROM WELL 7-8
IN SITU COAL GASIFICATION (LERC, ERDA)
Chroma to-
graphic
Peak No.
Elusion
Temp,
(°C)
99
99
101
102
102
103
104
105
105
107
107
108
108
109
110
111
112
113
114
114
116
117
117
119
119
120
121
122
122
123
123
124
124
125
126
129
130
130
132
132
133
136
137
Compound
benzene
nrbutyric acid
tv-pentanal
C10H22 i30mer
C5H10°2 i30mer
d-methylbutyric acid (tent.)
C.H^-O™ Isomer
toluene
C5H10°2 lsomer
n-hexanal
acid (?)
C,HaO. isomer
J o *•
C,H. 00, isomer
6122
C11H_. isomer
11 24
C,H, -0- isomer
o J,£ t.
C,H. -0, isomer
P ly 2
C6H12°2 lsomer
C.-alkyl benzene isomer
C?H1402 acid
3'heptanone
d-G-palkyl C^IL.O- acid
2-heptanone
n-heptanal
C7H-402 carboxylic acid
cyclopentanone
2-methylcyclopentanone
alkyl cyclohexane isomer
3->nethylcyclopentanone
C-H2_ isomer
C.-alkyl cyclopentanone isomer
(tent.)
(3 H isomer
C, -alkyl benzene isomer (tent.)
CqH-Q isomer
styrene
C -alkyl benzene isomer
C, -alkyl benzene isomer +
2-'Octanone
2-ethyl cyclopentanone
C7H1402 acid
cyolohexanone
n-butylbenzene or C4-alkyl
benzene isomer
C7H-i ?0 isomer
C.-alkyl benzene isomer
2,5-dimethyl-2-cyclopentenone
ppm
11
4.2
6
T
8.4
9
10
3
T
T
T
259
226
T
124
35
53
T
92
T
1.2
1.8
T
514
56
58
T
37
T
T
4.8
T
4.2
T
T
1.2
5.4
244
T
T
9
1.8
T
Chromato- Elution
graphic Temp. Compound
Peak No. (°C)
137
139
139
140
141
141
145
145
146
149
149
150
150
151
154
155
156
157
158
160
164
167
168
169
171
172
177
177
180
180
182
183
188
189
195
202
205
207
209
214
215
220
221
223
224
anisole
dimethylcyclopentenone isomer
diisopropylbenzene isomer
indan
C7H-402 carboxylic acid
cyclohexenone isomer (tent.)
phenyl-n-pentane
C2~alkyl phenol isomer
C.H.,0 isomer (tent.)
C7H_202 + C4~alkyl benzene
isomers
C2-alkyl phenol isomer
l-methyl-cyclohex-l-en-3-one
(tent.)
C~-alkyl phenol
C7H.,,0 isomer
C.. _H.. „ isomer
indene
CgH., isomer (tent.)
benzof uran
C_H, -0 isoraer
Q LL
C.H ,0 isomer
C H-. -0 isomer
CoH.-O isomer
o LL
methylindene isomer
2-me thy Ibenzof uran
cyanobenzene
methylindene
acetophenone
benzylcyanide or o-tolunitrile
dimethylbenzof uran isomer
methylacetophenone isomer
C10H10° isomer (tent.)
methylcyanobenzene isoraer
d -nitrobenzene (eS)
naphthalene
2 , 3-benzothiophene
methylnaphthalene isomer
dimethylphenol isomer
methylnaphthalene isomer
C -alkyl phenol isomer
cresol isomer
C^-alkyl phenol isomer + phenol
C, -alkyl phenol
ethylphenol isomer
dimethylphenol isomer
cresol isomer
ppm
35
T
T
T
T
16
T
1.2
T
0.6
19
T
23
T
T
7.2
T
T
14
8.4
172
T
T
3.6
8.4
T
9.8
2.4
T
T
T
T
242
1.2
10
175
6
55
503
2737
11
129
533
402
477
-------
Table D44. SEMI-VOLATILE ORGANICS IN PRODUCED TAR (-15T) FROM WELL 7-8
IN SITU COAL GASIFICATION (LERC, ERDA)
Elution
Temperature
92
97
97
99
100
101
102
103
104
104
104
105
107
108
109
111
122
133
U5
116
117
117
119
120
120
122
122
123
124
126
126
127
128
130
131
132
133
134
135
135
136
137
137
138
139
Compound
co2
n-octane
acetone
n-butanal
n-nonane
C QH isomer
C H isomer
C H isomer
toluene
n-pentanal
CgHlg isomer
n-decane
C QH isomer
C ,Hn,0 isomer
b iz
toluene
n-hexanal
C . H isoraer
n-undecane
C H isomer
ethylbenzene
C H~~ isomer
xylene isomer
xylene isomer
C12H24 lsomer
C12H26 Is0mf!r
isopropylbenzene + C ,H-
isomer
n-heptanal
n-dodecane
xylene isomer
C12H24 isomer
n-propylbenzene
C ~H_. isomer
12 24
ethyltoluene isomer
C H., isomer
u zo
trimethylbenzene isomer
styrene
C -alkyl benzene isomer
-C. -alkyl benzene isomer
ri-tridecane
n-octanal
trimethylbenzene isomer
C H. . isomer
U Zo
C,HTN isomer
D /
C.-alkyl benzene isomer
n-butylbenzene
ppm
20
NQ
NQ
50
T
T
T
T
80
70
2500
20
1340
1140
4Q
T
420
T
320
220
280
1540
86
T
T
280
220
840
46
62
T
2200
2500
260
sp
T
440
280
1^40
4500
T
40
20
24
Elution
Temperature
139
140
141
141
142
143
143
144
145
146
146
147
148
148
149
149
150
151
151
151
152
152
J.53
154
154
155
156
157
158
160
162
163
163
163
164
165
165
166
166
167
(continued)
478
Compound
C8H11N
C. „!!„,. isomer
-LJ £.0
C.-alJcyl benzene 4\ C. .H_0
4 14 ?8
isomers
C14H30 isomer
C H isomer
C -alkyl benzene -t C H,Q
isomers
trimethylbenzene isomer
C14H30 lsomer
methylstyrene + C, -alkyl
benzene isomers
C.-alkyl benzene isomer
C,H,N isomer
D /
C -alkyl benzene ispraer
indan
ri-tetradecame
C H 2 isomer
jj-nonanal
Cj-alkyl b.enzene isqmer
methylindan
C -alkyl benzene + ci/,^28
isomers
C0HnlN isomer
0 J.J.
C16H34 isoper
n-pentylbenzene
C16HS4 lsol!ler
C14H28 isomei:
C H- isomer
15 30
0,,-alkyl benzene tsomer
C.-alkyl benzene isomer
C -alkyl benzene isomer
C^-alkyl benzene + C H,Q
isomers
C15H30 1?omei!s
n_-pentadecane ^ methylin4an
Isomer
indene
C.-alkyl benzene isomer
n-decanal
C.-alkyl benzene isomer
benzof uran
CRN isomer
C11H14 lsomer
phenyl-n~hexane
C15H30 isomer
ppm
28
38
400
520
640
250
280
54
62
T
T
3740
3540
1120
820
540
60
40
740
280
340
220
200
194
246
234
198
94
T
3540
2540-
4420
440
640
2300
94
T
20
36
-------
Table D44 (cont'd)
Elution
Temperature
168
169
170
171
174
175
175
176
177
179
179
181
182
182
183
184
185
186
187
187
188
189
190
190
191
192
192
193
194
195
195
195
197
199
202
203
204
204
206
206
207
209
210
210
Compound
dimethylindan isomer
C,.-alkyl benzene isomer
C15H30 isomer
C15H28 is°mer
C11H18 lsomer
C H isomer
LL ID
C H isomer
16 32
n-hexadecane
methylindene isomer
methylbenzof uran isomer
methylindene + C H, , isomer
li 16
C, nH.. , isomer
12 16
aldehyde (?)
C H isomer
16 32
C11H14 isomer
C H isomer
Cn,H_, isomer
I/ Jo
Cq-alkyl benzene isomer
C11H14 lsomer
C H, isomer
12 16
C11H14 isomer
trimethylindan isomer
C H isomer
dimethylbenzofuran + alkyl-
indan isomers
dimethylbenzofuran isomer
C, _H- , isomer
17 36
alkyl indan isomer
C H isomer
n-heptadecane + phenyl
octane
d, -nitrobenzene (eS)
naphthalene
n-octadecane
allylic acid
methylaniline
C H , isomer
alkyl indan isomer
2 , 3-benzothiophene
C -alkyl aniline
C15H22 isolner
aniline
n-nonadecane
C H isomer
methylnaphthalene isomer
dimethylphenol isomer
ppm
350
324
T
620
80
T
T
920
780
720
880
38
NQ
T
354
T
T
330
308
224
160
42
64
272
590
632
560
T
280
14440
T
T
T
66
T
160
54
20
2580
940
80
11780
840
Elution
Temperature
212
213
213
214
215
215
216
218
219
219
219
219
220
22C
221
222
222
222
223
223
224
225
226
226
226
227
228
229
229
229
230
231
232
233
233
233
234
235
235
235
236
236
237
238
238
Compound
benzylamine or methylaniline
dimethylphenol isomer
C10H,, isomer (tent.)
±o Jo
methylnaphthalene isomer
C_-alkyl phenol isomer
methylaniline isomer
pentamethylindan isomer
C, -alkyl phenol isomer
C18H36 isOTler
cresol isomer
C -alkyl aniline isomer
phenol
ethylnaphthalene isomer
C -alkyl aniline isomer
n-eicosane + quinoline
cresol isomer
ppm
820
T
840
5120
T
2120
38
T
100
17000
T
4500
3400
T
3100
T
methylquinoline + cresol isomer 3000
dimethylnaphthalene isomer
C -alkyl phenol isomer
C-_H,_ isomer
20 40
biphenyl
dimethylnaphthalene isomer
dimethylnaphthalene isomer
ethylphenol isomer
C,j-alkyl aniline isomer
dimethylphenol isoraer
C. -alkyl phenol isomer
ethylphenol isomer
cresol isomer
C?-alkyl naphthalene isomer
dimethylphenol isomer
dimethylnaphthalene isomer
cresol isomer
C3-alkyl naphthalene + G2iH44
n-heneicosane
C^-alkyl phenol isomer
dimethylnaphthalene isomer
940
220
780
680
6420
2900
T
24200
T
T
22140
T
5540
840
1520
280
200
260
580
280
methylbiphenyl + C H- isomers 960
dimethylphenol isomer
C,,-alkyl quinoline isomer
C, -alkyl phenol + C -alkyl
naphthalene isomers
C^-alkyl phenol isomers
C_-alkyl phenol isomers
ethylphenol isomer
C2-alkyl phenol isomer
60
640
640
940
14500
280
13720
(con
479
-------
Table D44 (cont'd)
Elution
Temperature
(°C)
238
239
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
Compound
C -alkyl naphthalene isomer
C --alkyl phenol isomer
C. -alkyl phenol -t- C -alkyl
naphthalene isomers
C, -alkyl naphthalene isomers
acenaphthene
C, -alkyl phenol isomer
C,.-alkyl phenol isomer
C..-alkyl naphthalene isomer
C3-alkyl phenol + C3-alkyl
naphthalene isomers
C, -alkyl phenol isomer
biphenylene
sec-butylphenol isomer
C, -alkyl naphthalene isomer
C -alkyl phenol isomer
C --alkyl phenol isomer
C -alkyl naphthalene isomer
C -alkyl phenol isomer
C -alkyl naphthalene isomer
dibenzof uran
fluorene
C13H10° °r C14H14 isomer
tri-sec-butylphenol isomer
dimethylbenzaldehyde isomer
dimethylbenzaldehyde isomer
C -alkyl benzaldehyde isomer
(tent.)
ppm
80
300
4760
1
2040
T
T
T
580
T
160
T
T
3169
3440
T
T
T
640
580
T
3840
560
640
100
Elution
Temperature Compound
<°C)
480
-------
Table D45. SEMI-VOLATILE ORGANICS IN PRODUCED WATER (-16L) FROM WELL 7-8
IN SITU COAL GASIFICATION (LERC, ERDA)
Elution
Temp.
(°C)
97
98
99
99
100
101
101
102
102
103
103
103
105
107
107
107
108
108
108
109
110
110
111
112
114
115
116
117
119
120
121
123
124
127
129
129
131
134
134
136
139
142
Compound
methyl ethyl ketone
methyl Isopropyl ketone
benzene
3-pentanone (tent.)
2-pentanone
butanoic acid
4-methyl- 2-pentanone
3-me thy 1- 2-pentanone
a-methylbutanoic acid
isopentanoic acid
toluene
3-hexanone
2-hexanone
C10H20 isomer
a-methylbutyronitrile +
4, 4-dimethyl- 2-pentanone
(tent.)
n-butyronitrile
ethanol (tent.)
C,H ,0 isomer
pentanoic acid
C,H ,0 isomer
2-methylpentanoic acid
ethylbenzene
p_-xylene
5-me thyl-3-hexanone
8-methylpentanoic acid
2-heptanone + o— xylene
cyclopentanone
2-methylcyclopentanone
n-hexanoic acid
3-methy Icy clopenta none
C0-alkyl cyclopentanone isomer
(tent.)
C10H16 is°mer
C_-alkyl benzene isomer
C-H ,0 -1- C,-alkyl benzene
isomers
n-hexylnicrile
CyH120 isomer
cyclohexanone
heptanoic acid
C, -alkyl benzene isomer
anisole
o-methylstyrene or indan
C7H1Q0 isomer
Ppb
NQ
NQ
T
T
700
75
T
105
T
400
150
60
275
T
T
30
T
T
4825
60
1150
T
45
15
725
225
3400
2075
5950
2100
650
425
T
180
250
T
210
1925
180
1075
135
T
Elution
Temp.
(°C)
146
150
152
152
154
156
158
160
164
164
165
166
166
170
171
172
175
184
186
188
189
190
190
190
190
191
191
192
194
194
195
197
204
205
207
210
211
212
213
214
218
220
221
223
223
(continued)
Compound
C H 0 isomer
methylanisole isomer (tent.)
CnH.. 000 carboxylic acid
y lo L
C.H_0 isomer
O O
indene
benzofuran
C.,H0, isomer
ij ZD
C.H, _S isomer (tent.)
o 10
dimethylfuran isomer (tent.)
benzaldehyde
dime thy Icy clopentenone
decanoic acid
diethylfuran isomer
C H-0 isomer
cyanobenzene
methylindene isomer (tent.)
Cn^H-^ isomer
17 36
unknown
unknown
ra-methylbenzoic acid
dp-nitrobenzene (eS)
naphthalene
C -alkyl benzene isomer
dimethylphenol isomer
dimethylbenzoic acid isomer
unknown
dimethylbenzoic acid isomer
C, -alkyl benzoic acid isomer
dimethylphenol isomer
dimethylbenzoic acid isomer
C, -alkyl benzene isomer
benzothiophene
dimethylphenol isomer
methylaniline isoraer
methylaniline isomer
C^-alkyl phenol isomer
dimethylaniline isomer
dimethylaniline isomer
cresol isomer I
phenol I
cyclopentenol isomer
trimethvlphenol isomer
dimethylphenol isomer
dimethylphenol isomer
C-.-alkyl phenol isomer
ppb
T
T
NQ
925
275
120
75
60
T
T
375
1600
T
T
1350
90
T
SQ
NQ
T
3075
60
T
T
NQ
T
T
250
325
450
200
5650
1325
1150
250
T
T
225000
T
180
45
210
250
481
-------
Table D45 (cont'd)
Elution
Temp.
(°C)
224
227
227
228
228
229
231
231
232
232
232
233
235
237
240
240
240
240
240
240
Compound
butylanisole isomer
mechylethylphenol isomer
cresol isomer
cresol isomer
C -alkyl phenol isomer
C, -alkyl phenol isomer
C2-alkyl phenol isomer
C_-alkyl phenol isomer
ethylphenol isomer
C, -alkyl phenol isomer -^
C. -alkyl phenol isomer /
C_-alkyl phenol isomer /
C_-alkyl phenol isomer 1
C, -alkyl phenol isomer \
C -alkyl phenol isomer I
C_-alkyl phenol isomer 1
C_-alkyl phenol isomer \
C,-alkyl phenol isomer ^
unsaturated C, -alkyl phenol
isomer
indole (cent.)
ppb
90
3625
2675
T
75
3200
2200
2600
400
296725
T
275
Elucion
Temp. Compound
(°C)
482
-------
Table D46. SEMI-VOLATILE ORGANICS IN PRODUCED TAR (-17T) FROM WELL 7-8
IN SITU COAL GASIFICATION (LERC, ERDA)
Elution Temperature
92
95
96
97
97
99
99
99
100
101
102
103
104
104
105
108
108
109
110
111
112
114
116
117
117
118
120
121
122
123
124
127
127
128
129
130
131
133
133
133
134
134
135
136
Compound
co2
acetaldehyde
acetone
n-octane
ethyl formate
C9H20 ±somer
ethyl acetate
ti-butanal
n-nonane
dimethyl ether
C. .-jH.- isomer
CgH- „ isomer
CgH g isomer
C<-H Q0 isomer
n-decane
C10H20 lsomer
C.,,H~, isomer
11 24
toluene
C11H24 isomer
C.H 0 (ketone ?)
C..H-2 isomer
n-undecane
ethylbenzene
xylene isomer
C11H22 isomer
xylene isomer
('12H26 isomer
C,-alkyl benzene +• C^H^
isomers
C-H, , 0 isomer
7 14
xylene isomer
n-dodecane
n-propylbenzene
C,-alkyl phenol isomer (?)
C12H24 isomer
ethyltoluene isomer
C12H24 isomer
trimethylbenzene isomer
styrene
ethyltoluene isomer
C-HqN isomer
C,-alkyl benzene isomer
C,H.,N isomer
D /
C. oHjg isomer
trimethylbenzene isomer +
n-tridecane
ppma
NQ
NQ
40
NQ
1100
NQ
NQ
680
NQ
420
380
T
T
1840
280
640
820
120
T
T
1940
320
260
160
1760
140
60
T
1120
2220
40
NQ
T
1240
1720
180
80
300
T
140
T
120
2540
Elution Temperature
138
140
140
141
141
142
143
143
144
145
146
146
147
149
150
150
151
152
153
153
154
155
157
157
158
159
159
162
163
164
165
166
166
167
167
168
169
170
171
172
174
175
(continued)
483
Compound
C.-alkyl benzene isomer
n-butylbenzene + ci3H26 isoB
C_-alkyl phenol isomer (?)
^1A^?R isomer
C.-alkyl benzene isomer
C.-alkyl benzene + C -H~,
isomers
C^.H,. isomer
CgH.,N isomer
trimethylbenzene isomer
C.-alkyl benzene isomer
methyls tyrene +• C.-alkyl
benzene isomers
C.-alkyl benzene isomer
C.-alkyl benzene isomer
indan
n-tetradecane
C10H12 isomer
C.-alkyl benzene isomer
methylindan isomer
C.-alkyl benzene + C. ,H2g
isomers
n-pentylbenzene
C16H34 isomer
C14H28 isomer
C.-alkyl benzene isomer
C.-alkyl benzene isomer
C.-alkyl benzene isomer
C,-alkyl benzene isomer
C15H30 lsomer
methylindan isomer
n-C- cH~? isomer
indene
benzofuran
dimethylindan isomer
C. nH. „ isomer
phenyl-n-hexane
C15H30 iSOmer
C, ,H, . isomer
11 14
dimethylindan isomer
C. .H,, + C,-alkyl benzene
i_) JU D
isomers
C_H. ,0 isomer (tent.)
C15H28 isomer
C.-alkyl benzene isomer
C,.H , isomer
ppm
120
er 40
NQ
80
T
260
240
40
1320
260
280
180
40
2080
1720
280
60
40
20
120
100
440
160
80
60
40
160
180
860
2280
1540
1160
1780
1100
500
760
900
340
140
120
80
60
-------
Table D46 (cont'd)
Elution Temperature
(°C)
176
177
178
179
180
181
182
185
186
186
187
187
189
189
190
191
192
192
193
194
194
194
195
196
196
198
199
199
201
201
202
204
205
207
207
208
208
208
209
210
Compound
C11H14 lsomer
mechylindene isomer + 11-
hexadecane
methylbenzofuran isomer
methylbenzofuran Isomer
(tent.)
methyllndene isomer (tent.)
C16H34 isomer
n-hexadecane
C16H32 isomer
Cg-alkyl benzene isomer
n-heptadecane
C, -,H- rt isomer
13 lo
C, ~H, , isomer
LZ ID
dimethylbenzofuran isomer
C1_H_, isomer
12 16
C11H12 isomer
dimethylbenzofuran isomer
ppm
100
40
300
1300
280
1660
80
T
60
100
20
T
T
T
T
340
(tenc.) + alkylindan isomer
dimethylbenzofuran isomer
C..,!!-., isomer
l/ Jo
C11H12 isomer
n-C- -.H-, isomer
— I/ JD
C19H38 isomer
C19H38 lsomer
phenyl-n-octane + methyl
dihydronaphthalene isomer
d--nitrobenzene (eS)
naphthalene
ri-C.gH,g isomer
C18H36 isomer
C14H20 isomer (tent.)
methylaniline
C,-alkyl benzofurau (tent.)
C. -H, , isomer
I/ 10
2 , 3-benzo thiophene
hydrocarbon (?) + unknown
C ,H isomer
C19H40 isomer
C14H20 isomer
aniline + methylnaphthalene
isomer
C14H20 lsomer
methylnaphthalene isomer
-~C19H40 isomer
380
500
540
T
T
T
340
930
440
300
280
80
40
60
80
T
60
40
T
60
T
630
3100
Elution Temperature
(°C)
213
213
214
214
215
216
217
218
218
219
221
221
222
223
223
223
224
225
226
227
229
229
230
230
231
231
232
233
233
234
234
235
236
237
238
238
239
240
240
240
240
240
(continued)
484
Compound
dimethylnaphthalene isotner
dimethylphenol isomer
C14H20 isomer
benzylamine + dimethyl-
naphthalene + quinoline
dimethylnaphthalene isoroer
C19H38 ±somer
pentamethylindan isomer
C20H40 isomer
C^-alkyl phenol isomer
C.-alkyl naphthalene isomer
(tent.)
ethylnaphthalene isomer
cresol isomer + phenol
-~C20H42 isomer
dimethylnaphthalene isomer
C,,-alkyl naphthalene isomer
C^-alkyl phenol isomer
cresol isomer
biphenyl
dimethylnaphthalene isomer
dimethylnaphthalene isomer +
C20H40 isomers
dimethylphenol isomer
ethylphenol
dimethylphenol isomer
cresol isomer
dimethylnaphthalene
cresol isoraer
C,-alkyl naphthalene isomer
C«-alkyl phenol isomer
-~C21H44 isomer
C_-alkyl naphthalene isomer
C--alkyl naphthalene isomer
methylquinoline isomer (tent
methylbiphenyl isomer
C,-alkyl phenol isomer
C.-alkyl phenol isomer
C,-alkyl naphthalene isomer
C_-alkyl phenol isomer
C_-alkyl phenol isomer
ethylphenol isomer
C,-alkyl naphthalene isomer
acenaphthene
C,-alkyl phenol isomer
C,-alkyl phenol isomer
C3-alkyl naphthalene isomer
ppm
T
NQ
T
80
2880
40
100
80
NQ
T
440
45000
1960
2140
780
1540
2720
640
780
3140
NQ
540
3240
55000
2500
79520
100
3120
162
125
167
• )T
540
T
820
580
T
3520
74700
1200
1320
T
T
100
-------
Table D46 (cont'd)
Elutlon Temperature
(°C)
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
240
Compound
C_-alkyl phenol isomer
tri-sec-butylphenol isomer
(tent.)
C,-alkyl phenol isomer
biphenylene
C^-alkyl phenol isomer
C,-alkyl phenol isomer
C,-alkyl phenol isomer
C,-alkyl naphthalene isomer
C^-alkyl naphthalene isomer
(tent.)
C,-alkyl phenol isomer
C^-alkyl naphthalene isomer
C,-alkyl phenol isomer
dibenzofuran
C,-alkyl phenol isomer
Cr-alkyl naphthalene isomer
(tent.)
C,-alkyl phenol isomer
f luorene
anthracene (tent.)
ppm
760
T
680
300
320
1300
520
80
110
340
T
105
845
T
880
300
60
Elution Temperature
(°C) Compound ppm
Total ppm for all semi-volatile constituents measured was '^348,954.
485
-------
Table D47. SEMI-VOLATILE ORGANICS IN PRODUCED WATER (-13L) FROM WELL 7-8
IN SITU COAL GASIFICATION (LERC, ERDA)
Elution
Temp.
-97
98
99
100
101
102
103
103
105
105
106
107
107
107
108
109
110
111
111
111
111
113
113
114
116
117
117
117
118
118
119
120
121
122
123
124
124
125
126
126
128
128
129
130
Compound
methyl ethyl ketone
methyl isopropyl ketone
benzene
2-pentanone
n-butanoic acid
4-methyl- 2-pentanone
3-methyl-2-pentanone
isopentanoic acid
toluene
3-hexanone
2-methy 1-1 , 3-dioxane
n-hexanal
2-hexanone
n-pentanoic acid
2-methylpentanolc acid
C_H ,0 isomer (tent.)
C_H-.,0 isomer
C,H. _0 isomer (tent.)
b 1U
C-H.,0, isomer
o Ib /
ethylbenzene
C_H, .0 isomer
7 14
isohexanoic acid
p_-xylene
3-heptanone + methylhexanone
isomer
2-heptanone
£-xylene
n-hexanoic acid
n-heptanal
C H 0 isomer (tent.)
cyclopentanone
methylcyclopentanone isomer
C-H.,0 isomer
C.H 0, carboxvlic acid
o J-O L
3-methylcyclopentanone
C H. .0 isomer
isoheptanoic acid
C_-alkyl benzene isomer
s tyrene
C_.-alkyl benzene isomer
C_H -0 isomer
C-jH^.O isomer
1,2,4- trime thylbenzene
n-heptanoic acid
n-hexylnitrile
ppb
NQ
NQ
T
46
1.8
2.4
1.8
8.4
4.2
5.4
2.4
T
14
159
26
1.2
T
9
T
0.6
T
9
1.2
T
T
7.2
339
T
T
47
55
85
T
28
T
3.6
T
T
T
T
T
1.2
145
4.2
Elution
Temp.
131
131
133
136
139
140
141
142
149
154
155
156
157
158
164
168
169
171
172
174
176
187
188
204
208
210
214
215
215
224
Compound
cyclohexanone
methylcyclopentanone isomer
methylpyridine isomer
anisole
C.-alkyl pyridine isomer
unknown
C--alkyl pyridine isomer
C,H00 isomer (tent.)
6 o
£-cresyl methyl ether
C11H14 isomer
indene
C, -alkyl benzene isomer
benzofuran
C11H14 isomer
C.HgO ether isomer
methylindene isomer
2-methylbenzofuran
cyanobenzene
methylindene isomer
aliphatic amine (tent.)
cresol isomer
cresol isomer
d .-nitrobenzene (eS) +
naphthalene
dimethylphenol isomer
dimethylphenol isomer
C -alkyl phenol isomer
ci-cresol + phenol
C,-alkyl phenol isomer
C. -alkyl benzene isomer
(tent.)
ethylphenol isomer
ppb
T
T
196
4.8
35
NQ
88
2.4
13
T
26
T
24
T
16
T
7.2
10
T
4.2
1.8
89
987
155
79
17760
15
8.4
8580
486
-------
Table 048. SEMI-VOLATILE ORGANICS IN PRODUCED WATER (-19L) FROM WELL 7-8
IN SITU COAL GASIFICATION (LERC, ERDA)
Elution
Temp .
98
99
100
100
101
102
102
102
103
103
104
105
106
106
106
107
108
109
110
111
111
111
112
112
113
114
116
117
119
120
120
121
123
123
123
124
125
127
128
128
129
129
130
130
132
Compound
methyl ethyl ketone
methyl isopropyl ketone
benzene
3- pent anon e
n-butanoic acid
2-pentanone
n-pentanal
a-methylbutanoic acid
4-methyl- 2-pentanone
isopentanoic acid
3-me thy 1- 2-pentanone
toluene
2-methylpentanoic acid
3-hexanone
2-me thy Ithiacyclopentane
(tent.)
n-pentanoic acid
2-hexanone
ct-methylbutyronitrile
n-butyronitrile
C H1,0 isomer
C H 0 carboxylic acid
C6H10° lsomer (tent.)
ethylbenzene
C H 0 carboxylic acid
o-xylene
C-H, .0 isomer
7 IH
unknown
ii-hexanoic acid
2-heptanone + o-xylene
cyclopentanone
C6H12°2 carboxylic acid
2-me thy Icy clopentanone
C-,H ,0, carboxylic acid
ethyltoluene isomer
3-methy Icy clop en tanone
C_H -0 isomer
C H ,0. carboxylic acid
cyclopentanoic acid (tent.)
n-heptanoic acid
C,H,-0 isomer
0 1U
CQH-.R isomer
methylpyridine isomer
C,-alkyl benzene isomer
dimethylpyridine isomer
n-hexylnitrile
ppb
NQ
NQ
1.8
T
3
15
NQ
1.8
T
5.4
T
4.2
T
7.2
2.4
120
11
T
T
1.2
3.6
T
T
28
T
T
NQ
411
4.8
112
143
129
7.2
27
23
16
1.2
T
71
T
T
11
3
499
11
Elution
Temp . Compound
132 C H 00 carboxylic acid
135 C H 0 carboxvlic acid
7 14 2
135 unknown
136 anisole
137 C^-alkyl benzene isomer
137 dimethylpyridine isomer
142 C1QH12 isomer
143 C7Hi2 lsomer (tent.)
149 methyl p_-cresyl ether
157 indene
158 pyrrole
158 benzofuran
160 C, ,H, , isomer
11 14
161 benzaldehyde
162 C.H.O isomer
o o
170 2-methylbenzofuran
171 cyanobenztme
175 unknown
188 d. -nitrobenzene (eS)
190 CgH1Q02 isomer (tent.)
214 phenol
214 cresol isomer
ppb
T
T
SQ
4.2
T
161
2.4
T
55
11
9.6
13
T
T
3
11
15
NQ
T
2970
T
487
-------
Table D49. SEMI-VOLATILE ORGANICS IN WATER (-20L) FROM COREHOLE #3,
POST-GASIFICATION (LERC, ERDA)
Elution
Temp . Compound
96
98
100
101
101
102
102
102
103
104
104
106
107
108
109
110
110
112
114
119
120
122
124
125
127
129
133
135
138
138
140
141
141
142
146
149
151
152
156
158
158
159
160
161
162
163
CO.
2
acetaldehyde
n-propanal
acetone
formic acid
n-propenal
ethyl acetate
acrolein
n-butanal
dimethyl ether
methyl ethyl ketone
benzene
methylbutanal isomer (tent.)
n-pentanal
3-methylpentanal
ri-butyl acetate
ii-decane
toluene
n-hexanal
alkyl acetate (?)
alkyl aldehyde (?)
alkyl aldehyde (?)
2, 4-dimethylpentanal
n-heptanal
cyclop en tanone
2-ji-pentylfuran
C, -alkyl benzene isomer
C. -alkyl benzene isomer
^i-octanal
C, -alkyl benzene isomer
C,H,nO isomer
b lu
C7H140 (alcohol ?)
n-nonanal (tent.)
^7^16^2 carDOXylic acid (tent.)
^i-tetradecane
unknown
C H isomer
C..H,. isomer
CgH,gO isomer (tent.)
C H. isomer
n-pentadecane
2-ethylhexanol
C. ,H,4 isomer
n-decanal
methyl acetoacetate
C15H30 isomer
ppb
NQ
NQ
NQ
NQ
306
NQ
301
NQ
NQ
NQ
T
24
T
16
5.4
2.4
T
1.8
28
NQ
NQ
NQ
T
25
1.8
T
T
T
19
T
T
7.2
10
9
8
NQ
T
1.8
2.4
T
1.2
4.2
1.2
2.4
3.6
T
Elution
Temp .
163
164
165
166
167
169
170
171
173
175
178
180
182
192
195
219
220
222
227
227
229
233
234
235
238
238
240
240
240
Compound
C,^H_, isomer
16 34
C,,H.,, isomer
16 34
C16H34 1SOmer
C16H34 1SOtaer
C,^H__ isomer
10 J/
benzaldehyde
n-hexadecane
C.,H_0 isomer
ID J£
C15H30 isomer
C..,H,. isomer
lo Jz
C.,H0. isomer
ID J t.
C17H34 isomer
C.-H-, isomer (tent.)
LI Jb
unknown
d,_-nitrobenzene (eS)
C. -alkyl naphthalene isomer
phenol
C. -alkyl naphthalene isomer
dimethylphenol isomer
C^-alkyl naphthalene isomer
cresol isomer
C. -alkyl naphthalene isomer
C -alkyl naphthalene isomar
Cj-alkyl phenol isomer
ethylphenol isomer
C_-alkyl naphthalene isomer
C, -alkyl naphthalene isomer
C, -alkyl naphthalene isomer
C. -alkyl phenol isomer
ppb
T
T
9
2.4
T
T
139
22
T
2.4
T
1.2
T
NQ
2.4
65
T
13
19
T
T
4.8
7.8
118
4.2
T
T
T
488
-------
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30000-1
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(3
0)
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H
QJ
•H
4-)
n)
rH
OJ
1 0 0 0 0 -
o-
1000
1050
1 £ 0 0
1 £ 5 0
Mass Spectrum No.
1 3 i'i 0 1 3 5 0
1400
Figure D13. Profile of semi-volatile organics in neutral fraction from post-gasification
water sample (-21L) obtained from well #1, Hanna 1 (LERC, ERDA).
-------
30100—;
•H
CO
B
B
H
o o o o -
3
U
B
Q
oooo-
O
H
4-
tti
1 P 0 I)
1530
1600
1 k 5 n 1700 1 7 B 0
Mass Spectrum No.
1800
180
1 9 >'' "
1 9 '. U
Figure D14. Profile of semi-volatiles in acid fraction of post-gasification water sample (-21L) from
in situ coal gasification (LERC, ERDA).
-------
3 o n o o -i
£>•,
4-1
•H
cn
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w
M
4_J £ n o n M -
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^.->_A__
25 5
lpr.^ii.i|i,.i,i .nl.^Tmjn,|,mTTinj.,TpnTjn^nrm,..rT"|n.T,,,j.,1,|,i-p^|,,,ij.M,|.,,". , , ,j-- -.n..^,,!,
£ 6 5 i) £ - 0 n £ 7 ;; fi
Mass Spectrum No.
Figure D15- Profile of semi-volatile organics in basic fraction from post-
gasification water sample (-21L) obtained from well #1, Hanna 1
(LERC, ERDA).
-------
Table D50. SEMI-VOLATILE ORGANICS IN POST-GASIFICATION WATER (-21L)
FROM WELL #1, HANNA #1 (LERC, ERDA)
Elution Temperature
CO
98
99
100
101
101
101
102
102
105
106
107
109
113
113
113
123
123
125
128
130
131
138
Compound
co2
diethyl ether
acetaldehyde
n-propanal
formic acid
acetone
n-propenal
n-butanal
ethyl acetate
methylfuran isomer
C13H28 isomer
benzene
n-pentanal
3-methylpentanal
toluene
n-hexanal
C,Hn.O isomer
O 1Z
C-.H, .0 isomer
7 14
2 , 4-dimethylpentanal
n-heptanal
cyclopentanone
2-pentylfuran
C-H-, ,0 isomer
o lo
n-octanal
ppb
NQ
NQ
NQ
NQ
T
NQ
NQ
NQ
T
T
232
T
505
17
T
3
T
T
T
39
T
T
6.6
6
Elution Temperature
CO
138
141
141
144
145
153
160
161
162
165
170
171
171
177
179
196
211
212
222
228
236
237
240
240
Compound
rnethylheptanone isomer
C6H10° (ketone) isoroer
methylcyclopentanone isomer
C H 0 isomer (tent.)
C H 0 isomer (tent.)
n-nonanal
C_H_. ,,0 isomer
unknown
2-ethylhexanol
C -H_-0 isomer (tent . )
benzaldehyde
n-hexadecane
C. -.H,, ,. isomer
1 / Jb
C17H34 isomer
£-heptadecane
d .--nitrobenzene (eS)
5
C17H36 lsomer
C17H34 isomer
phenol
dimethylphenol isomer
dimethylphenol isomer
C--alkyl phenol isomer
ethylphenol isomer
C.-alkyl phenol isomer
ppb
T
T
1.2
3
1.8
10
T
NQ
6
2.4
T
T
3.6
2.4
T
T
T
4.2
20
T
T
29
1.8
492
-------
Table D51. SEMI-VOLATILE ORGANICS IN POST-GASIFICATION WATER (-22L)
FROM WELL #8, HANNA #1 (LERC, ERDA)
Mution
96
98
99
100
100
101
101
101
102
102
103
103
104
105
105
106
107
108
109
111
111
113
117
119
119
123
126
127
130
135
137
139
141
143
148
152
154
154
157
158
161
162
163
167
167
Temperature
) Compound
co2
acetaldehyde
n-propanal
acetone
ethyl formate
C0Hn . isomer + n-butenal
o 10 —
acrolein
methylfuran isomer (tent.)
n-butanal
ethyl acetate
methyl ethyl ketone
n-nonane
C9H20 isomer
benzene + C,_H-_ isomer
10 22
C....H.,. isomer
11 24
C H isomer (tent.)
n-pentanal
C,,H,, isomer
11 24
n-decane
C,nH^rt isomer
10 20
toluene
n-hexanal
C,,H_- isomer
11 22
C-.H-. isomer
11 24
C., _Hn - isomer
12 26
n-heptanal
cyclopentanone
C,Hn-0 isomer (tent.)
0 1U
2-pentylfuran
2-octanone
n-octanal
C-H 0 isomer
CgHlgO isomer
C-H. -O isomer
n-nonanal
C,,,H_£ isomer
12 26
1-heptanol
hydrocarbon (?)
C,Hn-0, isomer (tent.)
0 I/ t
n-decanal
hydrocarbon (?)
2-decanone
benzof uran
C,-H,_ isomer
15 30
benzaldehyde
ppb
NQ
NQ
NQ
NQ
113
8
NQ
T
NQ
390
T
T
T
10
T
T
19
21
T
1.8
T
75
T
T
T
67
1.2
T
1.8
58
11
4.2
1.2
2.4
14
T
1.7
NQ
1.2
T
NQ
16
3
T
20
Elution Temperature
( C) Compound
171 n-hexadecane
179 unsaturated hydrocarbon
188 C.-.H,, isomer
17 34
194 d, -nitrobenzene (eS)
208 C14H28° lsomer
218 phenol
225 dimethylphenol isomer
229 cresol isomer
230 C -alkyl phenol isomer
231 C--alkyl phenol isomer
232 C3-alkyl phenol isomer
235 C«-alkyl phenol isomer
237 ethylphenol isomer
ppb
1.8
NQ
2.4
T
4.2
118
123
T
T
T
31
53
493
-------
Table D52. SEMI-VOLATILE ORGANICS IN WATER (-23L) FROM WQ-1,
POST-IN SITU COAL GASIFICATION (LERC, ERDA)
ulution Temperature
CO
96
98
99
100
100
101
101
102
102
103
103
103
104
105
106
107
108
110
111
112
117
123
128
Compound
co2
acetaldehyde
n-propanal
acetone
ethyl formate
methyl vinyl ketone
propenal + CQH , isomer
o .La
(tent.)
ethyl acetate
n-butanal
methyl ethyl ketone
C9H20 lsomer
dimethyl ether
C-.-H-. isomer (tent.)
10 22
benzene
2-pentanone or C H 0 isomer
n-pentanal
n-nonane
toluene
3-methylhexanal (tent.)
n-hexanal
C_,H140 isomer (tent.)
n-heptanal
2-pentylfuran
ppb
NQ
NQ
NQ
NQ
120
T
T
390
NQ
T
32
NQ
1.2
0.6
T
13
T
T
1.8
97
1.2
6
2.4
Elution Temperature
CO
135
138
146
148
154
158
158
159
160
169
181
182
190
194
220
223
224
225
227
233
236
236
238
Compound
n-octanal
C-H 0 isomer (tent.)
C H 0 isomer
y 10
n-nonanal
unknown
acetoxy acetone (?)
C,H1nO isomer (tent.)
b 1U
methylhexanol
furfural (tent.)
benzaldehyde
C..-.H,,. isomer
I/ JO
acetophenone
C_H 0 isomer (tent. )
y 10
dc-nitrobenzene (eS)
j
phenol
C.0H 0 isomer (tent.)
I/ la
C_-alkyl phenol isomer
dimethylphenol isomer
cresol isomer
C~-alkyl phenol isomer
C_-alkyl phenol isomer
ethylphenol isomer
C,j-alk.yl phenol isomer
ppb
19
3
T
103
NQ
NQ
21
3
T
3
2.4
14
T
35
T
T
366
111
T
17
23
26
494
-------
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fr 4 (i ('
Mass Spectrum No.
Figure D16. Profile of semi-volatile organics in neutral fraction from post-gasification
water sample (-24L) obtained from well #4, Hanna 1 (LERC, ERDA).
-------
-p-
ON
4-1
•H
CD
£
fl EDO n n --
0)
S-i
S-i
1 0 n n o --
o
H
•H
4J
cti
0 —»T
fc F 0 n
fc fc 0 0 6 fc 5 n
Mass Spectrum No.
y; >ru^ -'
6 7 0 0 k 7 E n 6 8 n o fe 8 1 n
Figure D17. Profile of semi-volatile organics in acid fraction from post-
gasification water sample (-24L) obtained from well #1, Hanna 1
(LERC, ERDA).
-------
3 0 0 n i] --,
•H
en
d
0)
a
OJ
M
)-i
CJ
cd
o
H
t n n 0 o —
n)
•u
o
H
a)
•H
4-1
cd
1 o n n o -
0 —
r u oo
i '->~N s
•-"*-
.ynnrniU wi^n rTimnnlrniiii
_ _ ^ ._,._
jTTTT|.vr^ ,,,| „., j,, ,.p,-Tll'll jl11• ji 1T>p IIITlTn-p 1 rrjl r-rpl
715 0 7 E o i;i 7 L> 5 o p 3 o n
Mass Spectrum No.
Figure D18. Profile of semi-volatile organics in basic fraction from post-gasification water
sample (-24L) obtained from well #1, Hanna 1 (LERC, ERDA).
-------
.Table D53. SEMI-VOLATILE ORGANICS IN POST-GASIFICATION WATER (-24L)
FROM WELL #1, HANNA #2 (LERC, ERDA)
Elution Temperature
101
105
106
106
106
107
109
109
112
114
121
125
131
132
134
135
138
140
144
152
154
155
156
157
157
158
160
162
163
164
165
170
170
171
172
173
175
177-
179
181
186
189
190
193
Compound
co2
acetone
methyl ethyl ketone
ethyl acetate
n-butanal
hydrocarbon 4- benzene
CqH_n isomer
n-pentanal
toluene
n-hexanal
ri-dodecane
C13H28 iSOTner
n-tridecane
n-octanal
C.-tL, isomer
13 26
C14H30 isomer
C -alkyl benzene isomer
n-tetradecane
n-nonanal
C-,H«, isomer (tent.)
14 26
C10H2()0 isomer
n-decanal
C_-alkyl benzene isomer
C,-alkyl benzene isoraer
C11H14 isomer
phenyl-n-hexane
C, -alkyl benzene + C.nHn,
0 -i-/ J.O
isomers
benzaldehyde
n-hexadecane
C?-alkyl benzene isomer
C__H-,. isomer
12 16
phenyl-n-heptane + C-jo^ift
isomer
C-0H,_ isomer
lo Jo
C-.H- , isomer
_LZ ID
C -alkyl benzene isomer
C H isomer
1 J lo
n-hep tadecane
C10H_, isomer
LZ. ID
C13H18 + C19H40 isomers
C, ^H1 g isomer
ri-octadecane
d_-nitrobenzene (e£)
5
C..H-, isomer
I/ Zb
n-nonadecane
ppb
NQ
NQ
T
480
NQ
T
T
NQ
T
4.2
15
10
127
46
T
9
T
23
10
8.4
T
4.2
T
T
T
1.8
2.4
T
2.4
T
29
32
T
T
T
13
12
5.4
13
7.8
10
19
47
Elution
203
207
209
211
212
213
214
214
215
218
218
219
220
221
224
227
227
229
230
230
232
233
234
235
238
Temperature
Compound
methylnaphthalene isomer
n-eicosane
C^-alkyl naphthalene isomer
dimethylnaphthalene isomer
phenol + biphenyl
cresol isomer
dimethylnaphthalene isomer
C._H., isomer
12 16
dimethylnaphthalene isomer
dimethylphenol isomer
ethylphenol isomer
dimethylphenol isomer
C?-alkyl naphthalene isomer
cresol isomer
C, -alkyl phenol isomer
CL-alkyl phenol isomer
C, -alkyl phenol isomer
dimethylphenol isomer
ethylphenol isomer
C,-alkyl phenol isomer
C^-alkyl phenol isomer
C, -alkyl phenol isomer
Cj-alkyl phenol isomer
C,,H. _ isomer (tent.)
lj lo
C, -alkyl naphthalene isomer
ppb
124
32
T
9.6
4.8
10
T
T
115
112
10
129
T
120
11
T
T
130
11
T
90
T
T
T
T
498
-------
Table D54. SEMI-VOLATILE ORGANICS IN POST-GASIFICATION WATER (-25L)
FROM WELL #4 , HANNA #2 (LERC, ERDA)
Elution Temperature
106
106
108
108
109
109
110
113
115
Compound
acetone
benzene + CqH~_ lo *.
n-butanal
methyl vinyl ketone
methyl ethyl ketone
C H-0 isomer
n-pentanal
toluene
n-hexanal
ppb
NQ
T
NQ
T
T
T
T
T
T
Elution Temperature
144
189
216
222
224
229
231
233
235
Compound
n-nonanal
d_-nitrobenzene (e3?)
phenol
dimethylphenol isomer
cresol isomer
C_-alkyl phenol isomer
C^-alkyl phenol isomer
C_-alkyl phenol isomer
C.-alkyl phenol isomer (tent.)
ppb
9
52
349
186
6
46
69
3
499
-------
TECHNICAL REPORT DATA
(Please read Instructions on the reverse before completing)
1. REPORT NO.
EPA-600/7-78-004
2.
3. RECIPIENT'S ACCESSION-NO.
4. TITLE AND SUBTITLE
IDENTIFICATION OF COMPONENTS OF ENERGY-RELATED WASTES
AND EFFLUENTS
5. REPORT DATE
January 1978 issuing date
6. PERFORMING ORGANIZATION CODE
7. AUTHOR(S)
E. D. Pellizzari
8. PERFORMING ORGANIZATION REPORT NO.
9. PERFORMING ORGANIZATION NAME AND ADDRESS
Research Triangle Institute
P- 0. Box 12194
Research Triangle Park, NC 27709
10. PROGRAM ELEMENT NO.
1NE625
11. CONTRACT/GRANT NO.
68-03-2368
12. SPONSORING AGENCY NAME AND ADDRESS
Environmental Research Laboratory - Athens, GA
Office of Research and Development
U. S. Environmental Protection Agency
Athens, GA 30605
13. TYPE OF REPORT AND PERIOD COVERED
Final
14. SPONSORING AGENCY CODE
EPA/600/01
15. SUPPLEMENTARY NOTES
16. ABSTRACT
A state-of-the-art review on the characterization of organic and elemental sub-
stances in energy-related liquid and solid effluents was conducted. Previous and on-
going research programs and reports were reviewed to summarize the existing and pro-
bable future data on chemical elements and organic compounds in solid waste and aqueous
effluents from (a) coal liquefaction and gasification plants, (b) coal-fired power
plants, (c) oil-shale processors, (d) oil refineries, (e) coal mines and (f) geother-
mal energy. The reliability of existing information and the probability of accumula-
tion of adequate data from current and past contracts and projects was evaluated
according to preselected criteria.
Based upon the absence of adequate data on the composition of energy samples, a
chemical characterization program was conducted for several energy-related processes.
The necessary preconcentrations and purification were performed on these samples and
the volatile and semi-volatile organic compounds were identified and quantified. Sam-
ples for organic and mercury analysis were subjected to a single analytical protocol
in each case to permit comparison among samples. Organic constituents were analyzed
by gas chromatography/mass spectrometry/computer and elemental components were deter-
mined and measured by spark-source mass spectrometry for all the elements in the
periodic chart through uranium except oxygen, helium, hydrogen, neon, krypton, xenon,
radon, nitrogen and carbon. The analysis of mercury was performed by flameless atomic
absorption spectrophotometry.
17.
KEY WORDS AND DOCUMENT ANALYSIS
DESCRIPTORS
Energy
Elements
Effluents
Coal gasification
Refineries
b.IDENTIFIERS/OPEN ENDED TERMS
Organic chemicals
Solid wastes
Coal liquefaction
Coal-fired power plants
Oil-shale processing
Geothermal energy
c. COSATI Field/Group
48A
68D
97F
97G
13. DISTRIBUTION STATEMENT
RELEASE TO PUBLIC
19. SECURITY CLASS (This Report)'
UNCLASSIFIED
21. NO. OF PAGES
524
20. SE
22. PRICE
EPA Form 2220-1 (9-73)
500
ft U.S. GOVERNMENT PRINTING OFFICE, 1978— 757-140/6678
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