United States
                     Environmental Protection
                     Agency
Industrial Environmental Research
Laboratory
Research Triangle Park NC 27711
                     Research and Development
EPA-600/S7-83-047  Sept. 1983
SEPA          Project Summary
                    Theoretical  Investigation  of
                    Selected Trace  Elements  in  Coal
                    Gasification  Plants

                    A. H. Hill, G. L Anderson, and D. K. Fleming
                       Results of a theoretical investigation
                     of the disposition of five volatile trace
                     elements—arsenic,  boron, lead, sele-
                     nium, and mercury—in SNG-producing
                     coal  gasification plants are reported.
                     Three coal gasification processes—dry-
                     bottom  Lurgi,  Koppers-Totzek, and
                     HYGAS—were investigated to examine
                     the possible effects of gasifier operation
                     conditions on speciation of the volatile
                     trace elements. Dispositions of these
                     volatile trace elements in a general gas
                     processing scheme (consisting of gas
                     quench, acid-gas removal, and combined
                     shift methanation) were then projected.
                     A different acid-gas  removal process
                     was used in each process. The Rectisol
                     process was used for the Lurgi projec-
                     tion;  the Benfield, for the  Koppers-
                     Totzek; and the Selexol, for the HYGAS.
                     Results of this theoretical investigation
                     suggest that none of the trace elements
                     considered in this study will be present
                     in the product SNG from a coal gasifica-
                     tion plant, but will be removed from the
                     fuel gas by various unit operations.
                     Results also suggest that the speciation
                     of these volatile trace elements is not
                     significantly affected by gasifier condi-
                     tions.
                       This Project Summary was developed
                     by EPA's Industrial Environmental
                     Research Laboratory, Research Triangle
                     Park, NC. to announce key findings of
                     the research project that is fully docu-
                     mented in a separate report of the same
                     title  (see Project Report  ordering
                     information at back).

                       Results of a theoretical investigation of
                     the disposition  of five  volatile  trace
                     elements—arsenic, boron, lead, selenium,
                     and mercury—in SNG-producing coal
gasification plants are reported. Three
distinct coal gasification processes—dry-
bottom Lurgi, Koppers-Totzek, and HY-
GAS—were investigated to examine the
possible  effects  of gasifier operating
conditions on the speciation of the
volatile trace elements. The dispositions
of these volatile trace elements in a
general gas processing scheme (Figure
1)—consisting of gas  quench, acid-gas
removal,  and combined shift-methana-
tion—were then  projected.  A different
acid-gas  removal process was used in
each process. The Rectisol process was
used for the Lurgi projection; the Benfield,
for the Koppers-Totzek; and the Selexol,
for the HYGAS.
  Results of this theoretical investigation
suggest that none of the trace elements
considered in this study will be present in
the product SNG from  a coal gasification
plant, but will be removed from the fuel
gas by various unit operations. Results
also suggest that the speciation of these
volatile trace elements is not significantly
affected by gasifier conditions. Arsenic is
expected to appear in the raw fuel gas
from the  gasifier as a combination of the
elemental forms and the hydride, arsine
(As Ha). Boron is expected to appear as
boric acid, B(OH)3. Selenium is expected
to exist as the hydride, hydrogen selenide
(H2Se). Mercury is expected to appear as
the elemental form. Contrary to expecta-
tions, the projection also indicated that
only a minor fraction of the lead is
expected to be present in the raw fuel gas.
The range of concentration for these
volatile trace elements in the raw fuel gas
from the gasifiers was projected to  be
AsH3, 0.02 to 0.5 ppmv; As*, 0 to 4 ppmv;
H2Se, 0.02 to 1.4 ppmv; B(OH)3, 1 to 300
ppmv; PbS, <1 x 10~* ppmv; PbCI2, <2 x

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gasifier ash, and the primary condensate
streams from quenching operations and
performing elemental  balances. Varia-
tions  in the concentration of the trace
element in the  feed coal make  this
approach  imprecise.  Based on IGT's
theoretical projections, the volatile trace-
element-containing  compounds in the
quenched fuel gas may represent only a
small percentage (<\ 0%) of the feed. This
fraction is of the same order of magnitude
as the uncertainty  in the elemental
balances.
  The projected  dispositions of the five
trace  elements  in commercial-scale
versions [7.082  million m3 (std)/d  (250
million scf/d) of SNG] of the three
gasification processes are summarized in
Table 1.
            C02(ll)
                                                                 H2O
Figure 1.     Typical gas processing configuration for producing SNG. (Arabic numerals in circles
            are identified in Table 1.)
10 5 ppmv; Pb, <6 x 10 " ppmv; and Hg,
0.001 to 0.1 ppmv. The ranges of these
projections reflect the entire range of con-
centrations at which these trace elements
exist in U.S. coals as reported by Ruch, et
a/.* The  concentration ranges assumed
for this study were 0.5 to 14 ppmw ar-
senic, 0.45 to 7.7  ppmw  selenium, 2 to
224  ppmw boron,  1 to 200 ppmw lead,
and 0.02 to 1.6 ppmw mercury.
  Projections on the probable disposition
of these volatile trace-element-containing
compounds in the gas quenching opera-
tions indicated  that essentially all  the
BfOHJs,  As*, and  lead-containing com-
pounds, and a major fraction of the H2Se
will be removed from the fuel gas during
quenching. The B(OH)3 and  the H2Se
should  be recovered in  the  aqueous
condensate. The lead-containing com-
pounds should precipitate. In the Koppers-
Totzek process, the arsenic should also
precipitate, but  in the  HYGAS and Lurgi
processes, where aromatic oils  and tars
are produced, the arsenic may be dissolved
in these by-products,  reaching concen-
trations  as high  as 2000 ppmw. Only
AsH3, mercury, and part of the H2Se were
projected to remain in  the quenched fuel
gas.  The projected concentration range
for these constituents was 0.03 to 0.83
ppmv, 0.002 to 0.14 ppmv, and 0.003 to
1.35 ppmv, respectively.
  Ruch, R. R. Gluskoter, H. J., and Shimp, N. F,
  Occurrence and Distribution of Potentially Volatile
  Trace Elements in Coal. Environmental Geology
  Note Series 72, Illinois State Geological Survey,
  Urbana, IL, 1974.
  The  disposition  of the  mercury and
HaSe in the three acid-gas removal proc-
esses was projected to be identical to
that of H2S. The disposition of arsine was
projected to be similar to that of C02 in the
Selexol and Rectisol processes, but the
AsHa was projected to remain with the
treated gas in the Benfield process. How-
ever, these projections have considerable
uncertainty associated with them: no
solubility data exist for these compounds
in these acid-gas removal solvents. If the
above projections are indeed correct, two
potential problems can be cited. First, the
CC>2-rich  gas  from the  Selexol and
Rectisol processes  may have environ-
mentally significant levels of AsH3. The
projected concentration range for AsH3 is
0.1  to 2.5 ppmv before additional treat-
ment.  Second,  arsenic, selenium, and
mercury may significantly  contaminate
any elemental sulfur produced from the
H2S-rich acid-gas stream from these
three  acid-gas  removal processes. The
potential concentrations range from 1 to
1000 ppmw for selenium, 0.01 to 30
ppmw for arsenic, and 2 to 200 ppmw for
mercury. This degree of contamination
could make the elemental sulfur unsuit-
able as a chemical feedstock.
  These projections indicate the need for
direct determination of the concentrations
of volatile trace-element-containing
compounds in all major gas streams of an
integrated coal  gasification  process. The
methodology used in previous environ-
mental assessment studies has consisted
primarily of analyzing the feed coal, the

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Table 1.    Pro/ected Disposition flares for Selected Trace elements In Commercial-Scale Lurgi. Koppers-Totzek, andHYGAS Plants
Stream
No"

1
2
3
4
5
6
7
8
9
10
Stream
No-"

J
2
3
4
5
6
7
8
9
10

Description

Gasifier Residue*
Quench So/ids'
Wastewater
Oil/ Tar"
H2S-Rich Acid Gas
COi-Rich Acid Gas Hi
Methanation Condensate
CDs-Rich Acid Gas (ll/
Glycol Cooler Condensate
SNG

Description

Gasifier Residue"
Quench Solidsc
Wastewater
Oil/Tarc
HzS-Rich Acid Gas
COrRich Acid Gas (1)
Methanation Condensate
COz-Rich Acid Gas (II)
Glycol Cooler Condensate
SNG

L"

4-850
0
03-30
04-740
04-39
38-38
0
0
0
0

L

4 1-70
0
3.8-65
<0.005
03-4.5

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United States
Environmental Protection
Agency
Center for Environmental Research
Information
Cincinnati OH 45268
Postage and
Fees Paid
Environmental
Protection
Agency
EPA 335
Official Business
Penalty for Private Use 5300

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