EPA 600/2 7B 003
Environmental Protection Technology Sen
SURVEY AND EVALUATION OF
KINETIC DATA ON REACTIONS IN
METHANE/AIR COMBUSTION
Industrial Environmental Research Laboratory
Office of Research and Development
U.S. Environmental Protection Agency
Research Triangle Park, North Carolina 27711
-------
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U.S. Environmental Protection Agency, have been grouped into
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1. Environmental Health Effects Research
2. Environmental Protection Technology
3. Ecological Research
4. Environmental Monitoring
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This report has been assigned to the ENVIRONMENTAL PROTECTION
TECHNOLOGY series. This series describes research performed
to develop and demonstrate instrumentation, equipment and
methodology to repair or prevent environmental degradation from
point and non-point sources of pollution. This work provides the
new or improved technology required for the control and treatment
of pollution sources to meet environmental quality standards.
EPA REVIEW NOTICE
This report has been reviewed by the U. S. Environmental Protection
Agency, and approved for publication. Approval does not signify that
the contents necessarily reflect the views and policies of the Agency, nor
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This document is available to the public through the National
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EPA-600/2-76-003
SURVEY AND EVALUATION
OF KINETIC DATA ON REACTIONS
IN METHANE/AIR COMBUSTION
by
Victor S. Engleman
Exxon Research and Engineering Company
P.O. Box 8
Linden, New Jersey 07036
Contract No. 68-02-0224
ROAPNo. 21BCC-013
Program Element No. 1AB014
EPA Project Officer: W. Steven Lanier
Industrial Environmental Research Laboratory
Office of Energy, Minerals, and Industry
Research Triangle Park, NC 27711
Prepared for
U.S. ENVIRONMENTAL PROTECTION AGENCY
Office of Research and Development
Washington, DC 20460
January 1976
-------
FOREWORD
This report presents thermochemical and kinetic data on chemical
reactions in methane-air combustion. Recommendations are made on kinetic
parameters to be used in combustion calculations. This survey of kinetics
is a part of a study performed by Exxon Research and Engineering Company,
"The Chemical Mechanism and Kinetics of the Formation of NOX and Other
Pollutants under Normal and Combustion Modification Conditions," funded
by the Environmental Protection Agency under Contract No. 68-02-0224.
The Principal Investigator for the contract was Dr. Victor S. Engleman
and the Project Director was Dr. William Bartok.
The helpful comments of Mr. W. S. Lanier (Project Officer for
this contract) and Messrs. D. W. Pershing and G. B. Martin of the EPA
are gratefully acknowledged. In addition, we wish to express our appre-
ciation to those who have provided valuable help in conducting the
kinetics survey. To Dr. David Garvin, Coordinator of the Chemical
Kinetics Information Center of the National Bureau of Standards, our
thanks for his suggestions on the approach to this challenging task.
To Drs. R. Shaw, D. M. Golden, and S. W. Benson for their helpful con-
sultation in providing estimates of rates of additional reactions of
potential importance (acknowledged separately in Section 8). To
Dr. Albert L. Myerson of the Corporate Research Laboratories of Exxon
Research and Engineering Company for reviewing the recommended rates
and for many long hours of discussions on the relative consistency of
data from various sources. Our thanks as well to Dr. Richard P. Smith
for his skillful handling of the computerization of the data base. We
should also like to thank those who reviewed the interim report of this
work for their helpful suggestions on ways to make this survey as useful
as possible.
111
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TABLE OF CONTENTS
FOREWORD iii
1. INTRODUCTION 1-1
2. A GUIDE TO THE USE OF THIS REPORT 2-1
3. REACTION LISTINGS 3-1
4. TABLES OF THERMOCHEMICAL DATA 4-1
5. TABLES OF KINETIC DATA 5-1
6. EVALUATION OF PROBABLE RELATIVE REACTION IMPORTANCE 6-1
7. RECOMMENDED RATES FOR REACTIONS FOUND IN THE 7-1
LITERATURE AND ADDITIONAL REACTIONS OF POTENTIAL
IMPORTANCE
8. ESTIMATES FOR ADDITIONAL REACTIONS 8-1
9. REFERENCES 9-1
APPENDIX A - THERMOCHEMISTRY OF C^O A-l
APPENDIX B - CROSS-INDEX OF REACTIONS FOR 25 SPECIES B-l
APPENDIX C - MASTER LIST OF REACTIONS FOR 39 SPECIES C-l
APPENDIX D - SUMMARY OF INFORMATION ON REACTIONS IN D-l
KINETICS SURVEY
-------
1-1
1. INTRODUCTION
As the approach to combustion related pollutant formation be-
comes more sophisticated, more information is required on the elementary
processes that occur. Chemical kinetics, fluid mechanics and heat trans-
fer are all important factors in various stages of combustion and pollu-
tant formation. It was to further the development of a detailed approach
to this problem that this review of chemical kinetic data was undertaken.
To allow a tractable scope for the task, the review was limited to methane-
air combustion.
This report on the survey and evaluation of kinetic data on the
reactions in methane-air combustion is intended initially for use in cal-
culations of methane-air combustion at one atmosphere, between 80 and 125
percent stoichiometric air, between 1500 and 2500K. The rate data extends
beyond the range indicated but primary attention was focused within the
range as much as possible.
It should be noted that the rates recommended in this report
supersede previous preliminary recommendations made during the course of
this study*. In assembling rate recommendations from diverse sources, it
was found that the bases for estimation of rates were not necessarily con-
sistent from source to source. Several inconsistencies in relative rates of
reactions were uncovered as this study progressed and have been rectified when
recognized. While rate recommendations are evolutionary in nature and the
specific rates recommended here are by no means final, it is felt that they
represent a good starting point. Screening studies resulting in evaluation
of relative importance of individual reactions under specific conditions
should make use of the listings of competitive reactions contained in this
report to determine whether potentially important reactions have been
eliminated.
The reader is directed to Section 2 for a description of the
contents of this report and their use. Further detailed information on
the use of specific sections is given at the beginning of each section.
Comments on the content or format of this report will be greatly
appreciated.
* While most of the recommendations were made in reports with limited
distribution, one of the preliminary sets was used and referenced in a
published EPA report entitled "Kinetic Mechanism of Methane/Air Combustion
with Pollutant Formation", Report No. EPA-650/2-74-045.
-------
2-1
2. A GUIDE TO THE USE OF THIS REPORT
The working portion of this report is contained in Sections 3
through 9. In this section an indication will be given of the rationale
and approach used in the survey as well as some practical guidelines on
its use.
2.1 Section and Organization
of Reactions
As indicated in the introduction, the survey was limited to
methane-air combustion. As such, some decisions still had to be made as
to limitations in species and reactions. It was realized that it was
desirable to minimize the number of species to keep the task to a tract-
able size, and yet elimination of important species or reactions certainly
would not be desirable. The approach taken was to select species on
thermochemical grounds giving consideration to species commonly observed
or postulated to play a role in combustion of methane-air. Thus, a pri-
mary list of 25 species was considered for use in this survey. An
additional 14 species were selected for secondary consideration. Species
with a carbon number higher than 2 and reduced nitrogen compounds more
complex than HCN or NH, were considered unlikely for methane-air combus-
tion under the conditions considered (1 atmosphere, 1500-2500K, 80-125%
stoichiometric air).
The list of primary species along with the considerations that
entered into their selection and the JANNAF table reference for thermo-
chemical data are given in Table 2-1 below. Since CH30 thermochemistry
was not included in the JANNAF tables, tables were constructed from the
data from C^F. The details are given in Appendix A. The species in
Table 2-1 are sorted in alphanumeric sequence consistent with the practice
of the JANNAF tables.
-------
2-2
Table 2-1
Primary Species for
Methane-Air Combustion
Species
CH
CHN
CHO
CH2
CH20
CH3
CH3°
CH4
CN
CO
co2
H
HN
HNO
HO
H02
H2
N
NO
N02
N2
0
°7
Log KP
at 2000K
-10
-2
+1
-7
+1
+5
-6
-3
-6
+7
+10
-3
-9
-5
0
-3
0
+4
-9
-2
-4
0
-6
-3
0
Considera tions
hydrocarbon radical
possible role in prompt NO
stable radical
hydrocarbon radical
combustion intermediate
hydrocarbon radical
possible role in ignition
starting material
possible role in prompt NO
combustion product
combustion product
combustion intermediate
possible role in prompt NO
possible role in prompt NO
combustion intermeidate
combustion intermediate
combustion product
combustion product
important role NO formation
of prime interest
oxidation of NO
starting material
possible role NO formation
combustion intermediate
starting material
JANNAF Reference
12/67
12/69
12/70
12/72
3/61
6/69
constructed from
CH3F 12/63
3/61
6/69
3/61
9/65
9/65
7/72
3/63
12/70
3/64
3/61
3/61
3/61
6/63
9/64
3/61
12/64
6/62
3/61
-------
2-3
The list of secondary species is given below in Table 2-2 along
with supporting information.
Table 2-2
Secondary Species for
Methane-Air Combustion
Log KP
Species at 2000K Considerations
C -10 possible role in soot formation
CNO possible role NO/HC interaction
C0 -12 possible role in soot formation
C2H -6
-3
C_ intermediates
-5
\ possibly important for
fuel rich methane or
higher hydrocarbons
s
H»N -6 possible intermediate
H-0 possible role in ignition
H_N -5 possible role fuel rich
N0_ -10 higher oxidation of NO
0_ -7 possible role in igntion
Charged species and excited species were not considered for the
purpose of this study.
By use of a computer code developed for this study, all mathe-
matically possible unimolecular and bimolecular reactions were assembled
for the 25 species primary list and for the 39 species combined primary
and secondary list. The survey was restricted to the primary species
list which resulted in 322 reactions. The index for these reactions is
presented in Section 3. A cross-index for the 322 reactions is given in
Appendix B. Inclusion of the 14 secondary species results in a list of
1,078 reactions which are provided for reference in Appendix C.
-------
2-4
It should be noted that these reaction lists are merely mathe-
matical constructions and further evaluation of the likelihood of any of
these reactions in a physical or chemical sense is required. Many of the
reactions so constructed are not elementary reactions; that is, they
would not occur in a single step under the conditions of interest. Other
reactions may be severely hindered sterically or have thermochemical
hindrances. Such an evaluation was undertaken for the 322 reaction list
as will be discussed.
2.2 Use of the Tables
The main portion of this report consists of a series of tables
with information on the thermochemistry, the literature survey, an evalua-
tion of reaction importance, recommended rates for reactions in the
literature,and additional estimates for potentially important reactions
for which no satisfactory rate was found in the literature.
Information on the thermochemistry of each of the 322 reactions
is given in Section 4. Values of AH, ACp, AS and Log Kc were calculated
from the thermochemistry of each of the species.
Tables of kinetic data found in the literature for reactions
involving the primary species (with the exception of CH3
-------
3-1
3. REACTION LISTINGS
This section serves as an index to the tabular information in
this report. The 322 reactions are presented in master filing order
along with their index numbers which are carried through the remainder
of the report. The filing order was selected to allow unambiguous loca-
tion of a reaction by following a few simple rules. The species are
named and ordered by alphanumeric sequence as in the JANNAF tables as
shown in Section 2. Thus, CH precedes CH2 which precedes CH3, etc. This
technique leads to some non-standard species names (such as HO instead of
OH, HN instead of NH, and CHN instead of HCN), but this practice should
cause no confusion. Using the alphanumeric species names, it is easy to
determine a reaction's location in the master filing list by some simple
transformations.
For example, if one were to wish to find the location of a
reaction such as
N + OH -» NO + H
three steps would be required:
(1) make sure the species are named according to alphanumeric
sequence
N + HO = NO + H
(2) sort each side into alphanumeric order
HO + N = H + NO
(3) switch left and right sides if necessary to put the first
sorted species on the left
H + NO = HO + N
It will be found that this is reaction number 245 in the master list.
Each reaction is listed only once in the master list and each data table
in this report includes information for the forward and reverse reaction
appropriately identified.
If one wishes to determine all the competitive reactions for a
given pair of species, a cross-index is provided in Appendix B. In this
cross-index, the species are permuted so that each reaction appears up to
four times. Thus, using the example of reaction 245
H + NO = HO + N
-------
3-2
the table for the reactions of H atoms reveals the fact that three re-
actions compete:
243 H + NO = HN + 0
244 H + NO + M = HNO + M
245 H + NO = HO + N
And in the reverse direction, the table for the reactions of HO reveals
that three reactions compete:
245 HO + N = H + NO
273 HO + N = HN + 0
277 HO + N + M = HNO + M
It should also be noted that the tables for NO reactions and N atom
reactions would yield the same information.
Another use for the listings in Appendix B is to determine the
ways of breaking the NsN bond in N£. It will be found that 31 reactions
of N£ are listed involving only the primary species. Through further
inspection, many of these reactions could be eliminated from considera-
tion, but these 31 reactions provide an initial checklist. (As a matter
of interest, there are 55 reactions involving N« in the 39 species re-
action master list which is given in Appendix C.)
-------
3-3
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
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.
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
4 CHN
4 CHO
4 CH20
4 CH20
4 CH3
4 CH30
4 CH30
4 CH30
4 CH4
4- C02
4 H 4 M
4- HN
4- HN
4- HN
+ HNO
4 HNO
4 HNO
' + HNO
* HNO
4- HO
4 HO
4 HO 4- M
4 HO
4 H02
4 H02
= CH2 H
= CH2 <
= CHO 4
= CH3 H
= CH2 <
= CHO 4
= CH2 (
= CH4 4
= CH2 H
= CHO H
* CH2
= CHN H
= CH2 H
= CN H
* CHN H
= CHO H
= CH2 H
= CH20 (
= CN ^
= CHO H
= CH2 4
* CH20
= CO 4
= CHO H
CH2 H
H CN
h CO
H CH2
» CO
H CH2
H CH3
h CH20
i- CO
> CH3
i- CO
H H
) N
> H2
K HO
> HN
i- NO
K N
i- H20
y H
H 0
H H2
H HO
H 02
M
-------
3-4
A 26.
A 27.
A 28.
A 29.
A 30.
A 31.
A 32.
A 33.
A 34.
A 35.
A 36.
A 37.
A 38.
A 39.
A 40.
A 41.
A 42.
A 43.
A 44.
A 45.
A 46.
A 47.
A 48.
A 49.
A 50.
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
+ H02
+ H02
+ H02
+ H2
* H2 + M
+ H20
+ H20
+ H20
+ H20
+ H20 * M
+ N + M
+ N
+ NO
+ NO
+ NO
* NO
+ N02
+ N02
+ N02
+ N02
+ N02
+ N2
+ N2
+ N20
+ N20
= CH20
= CO
= C02
= CH2
= CH3
= CHO
= CH2
= CH20
= CH3
= CH30
= CHN
= CN
= CHN
= CHO
= CN
= CO
= CHN
= CHO
= CN
= CO
= C02
= CHN
= CN
= CHN
= CHO
+ 0
+ H20
+ H2
+ H
* M
+ H2
+ HO
+ H
+ 0
+ M
+ M
+ H
+ 0
+ N
* HO
+ HN
+ 02
» NO
+ H02
+ HNO
* HN
* N
* HN
* NO
* N2
-------
3-5
A 51. CH -I- N20 = CN + HNO
A 52. CH + 0 + M = CHO + M
A 53. CH + 0 = CO + H
A 54. CH + 02 = CHO + 0
A 55. CH + 02 = CO * HO
A 56. CH * 02 = C02 + H
A 57. CHN -i- M =CN *H + M
A 58. CHN * CHO = CH20 « CN
A 59. CHN + CH2 = CH3 + CN
A 60. CHN * CH20 = CH30 + CN
A 61. CHN + CH3 = CH4 + CN
A 62. CHN + CO = CHO + CN
A 63. CHN + H = CH2 * N
A 64. CHN + H * CN * H2
A 65. CHN -i- HN = CH2 + N2
A 66. CHN + HNO = CH2 + N20
A 67. CHN * HNO = CH20 + N2
A 68. CHN + HO = CHO + HN
A 69. CHN + HO = CH2 » NO
A 70. CHN * HO = CH20 * N
A 71. CHN * HO = CN + H20
A 72. CHN + H02 = CHO + HNO
A 73. CHN + H02 = CH2 + N02
A 74. CHN + H02 = CH20 * NO
A 75. CHN + H2 = CH2 + HN
-------
3-6
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
76.
77.
78.
79.
80.
81.
82.
83.
84.
85.
86.
87.
88.
89.
90.
91.
92.
93.
94.
95.
96.
97.
98.
99.
A100.
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
+ H2
+ H20
* H20
+ H20
+ H20
+ N
+ NO
+ NO
+ N02
+ 0
« 0
+ 0
* 02
+ 02
+ 02
+ 02
+ M
+ CHO
+ CHO
+ CH2
+ CH20
+ CH20
* CH3
+ CH3
+ CH30
= CH3 +
» CH2 *
= CH20 «
= CH3 +
= CH30 +
= CN +
= CHO +
= CN +
= CHO +
= CHO +
= CN +
= CO +
= CHO *
= CN +
= CO +
» C02 +
= CO +
= CH2 *
= CH20 +
= CH3 »
= CH3 +
= CH30 +
= CH2 +
= CH4 *
= CH20 +
N
HNO
HN
NO
N
HN
N2
HNO
N20
N
HO
HN
NO
H02
HNQ
HN
H
C02
CO
CO
C02
CO
CH20
CO
CH20
* M
-------
3-7
A101.
A102.
A103.
A104.
A105.
A106.
A107.
A108.
A109.
A110.
Alll.
A112.
A113.
All*.
A115.
A116.
A117.
A118.
A119.
A120.
A121.
A122.
A123.
A124.
A125.
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
» CH30
« CH4
+ CH4
+ H
+ H * M
+ H
+ HN
* HN
+ HN
+ HNO
+ HNO
* HO
+ HO
+ HO
+ HO
+ H02
+ H02
+ H2
+ H2
+ H2
* H2 * M
+ H20
+ H20
+ H20
+ H20
= CH4 +
= CH2 *
= CH20 +
= CH2 +
= CH20
= CO +
= CH2 *
= CH20 +
= CN *
= CH2 +
= CH20 +
= CH2 +
= CH20 *
= CO +
= C02 *
= CH20 +
= C02 +
= CH2 +
= CH20 +
= CH3 +
= CH30
- CH2 *
= CH20 +
= CH3 *
» CH30 +
C02
CH30
CH3
0
H2
NO
N
H20
N02
NO
02
0
H20
H2
02
H20
HO
H
0
H02
HO
02
0
M
+ M
-------
3-8
A126.
A127.
A128.
A129.
A130.
A131.
A132.
A133.
A134.
A135.
A136.
A137.
A138.
A139.
A140.
A141.
A142.
A143.
A144.
A145.
A146.
A1V7.
A148.
A149.
A150.
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
4- N
+ N
4- NO
+ NO
4- NO
+ N02
* N2
+ 0
* 0
* 02
* 02
+ CH20
* CH30
4- CH4
+ C02
* H 4- M
4- HN
4- HNO
+ HNO
* HNO
4- HO
4- HO
4- HO 4- M
4- H02
4- H02
= CN
* CO
= CN
* CO
* C02
= C02
» CN
x CO
* C02
= CO
* C02
= CH4
* CH20
* CH3
= CH20
= CH3
» CH3
= CH20
= CH3
= CH30
- CH20
= CH3
= CH30
= CH20
= CH3
4- HO
4- HN
4- H02
4- HNO
4- HN
4- HNO
4- HNQ
* HO
4- H
* H02
+ HO
4- CO
+ CH3
« CH3
* CO
4- N
4- HN
4- NO
* N
+ H
4- 0
4- HO
4- 02
4- M
4- M
-------
3-9
A151.
A152.
A153.
A154.
A155.
A156.
A157.
A158.
A159.
A160.
A161.
A162.
A163.
A164.
A165.
A166.
A167.
A168.
A169.
A170.
A171.
A172.
A173.
A174.
A175.
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
.4-
4-
4-
4-
H02
H2
H2 + M
H20
H20
H20
H20
N
NO
NO
N02
N20
0 4- M
0
02
02
02
4- M
CH20
CH4
H
H 4- M
HN
HN
HNO
= CH30 4-
« CH3 4-
= CH4
= CH20 4-
= CH3 4-
= CH30 4-
= CH4 4-
* CN 4-
= CH20 4-
= CN 4-
= CH20 4-
« CH20 *
= CH20
= CO 4-
- CH20 +
= CO *
= C02 +
= CO »
= CH4 +
= CH3 4-
= CH3 *
* CH30
« CH3 4-
= CH30 4-
= CH3 4-
0
H
H2
HO
H
0
H2
N
H20
NO
N2
H2
0
H20
H2
H2
C02
CH30
0
NO
N
N02
4- M
4- M
4- M
4- M
-------
3-10
A176.
A177.
A178.
A179.
A180.
A181.
A182.
A183.
A184.
A185.
A186.
A187.
A188.
A189.
A190.
A191.
A192.
A193.
A194.
A195.
A196.
A197.
A198.
A199.
A200.
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
* HNO
+ HO
+ HO
* H02
+ H2
* H2
+ H2
* H20
* H20
+ H20
+ N
+ 0
+ 0
* 02
+ C02
+ H + M
+ HN
+ HNO
+ HNO
+ HO
+ HO
+ H02
+ H02
+ H2
» H20
= CH30 +
= CH3 +
= CH30 *
= CH30 f
' ')
= CHS +
= CH30 +
= CH^ +
* CH3 +
* CH30 «
= CH4 »
= CM *
= CO +
= C02 *
= C02 +
= CH30 +
= CH4
= CH4 +
= CH30 *
= CH4 *
= CH30 +
= CH4 +
= CH30 +
= CH4 *
» CH4 *
= CH30 *
NO
02
0
02
HO
H
0
H02
HO
02
H20
H20
H2
H20
CO
N
HN
NO
H
0
HO
02
H
H2
-------
3-11
A201.
A202.
A203.
A204.
A205.
A206.
A207.
A208.
A209.
A210.
A211.
A212.
A213.
A214.
A215.
A216.
A217.
A218.
A219.
A220.
A221.
A222.
A223.
A224.
A225.
CH3 +
CH3 *
CH3 +
CH3 +
CH3 «
CHS +
CH30 +
CH30 +
CH30 +
CH30 +
CH30 «
CH30 +
CN +
CN +
CN +
CN +
CN +
CN +
CN *
CN +
CN »
CO +
CO *
CO +
CO +
H20
NO
N02
N20
0 + M
02
H
HN
HNO
HO
H2
H20
HO
H02
H02
NO
N02
N02
0
02
02
HNO
HO
H02
H20
= CH4 +
= CH30 +
= CH30 +
= CH30-+
« CH30
= CH30 +
= CH4 +
= CH4 *
= CH4 *
= CH4 *
= CH4 +
= CH4 +
= CO *
= CO *
= C02 +
- CO »
= CO +
= C02 *
= CO +
= CO +
= C02 +
= C02 *
= C02 +
= C02 +
= C02 +
HO
N
NO
N2
0
0
NO
N02
02
HO
H02
HN
HNO
HN
N2
N20
N2
N
NO
N
HN
H
HO
H2
-------
3-12
A226.
A227.
A228.
A229.
A230.
A231.
A232.
A233.
A234.
A235.
A236.
A237.
A238.
A239.
A240.
A241.
A242.
A243.
A2*4.
A245.
A246.
A247.
A248.
A249.
A250.
CO
CO
CO
CO
CO
H
H
H
H
H
H
H
H
H
H
H
H
H
H
H
H
H
H
H
H
4-
4-
4-
4-
4-
+
4-
4-
4-
4-
4-
+
+
4-
*
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
NO
N02
N20
0 + M
02
H + M
HN
HNO
HNO
HNO
HO
HO 4- M
H02
H02
H02
H20
N * M
NO
NO + M
NO
N02
N02
N02
N02
N2
= C02
= C02
= C02
* C02
= CO*
= H2
= H2
= HN
a H2
= H20
« H2
= H20
a HO
= H2
= H20
= HO
= HN
= HN
= HNO
= HO
= HN
a HNO
a HO
= H02
* HN
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
N
NO
N2
0
N
HO
NO
N
0
HO
02
0
H2
0
N
02
0
NO
N
N
4- M
4- M
4- M
4- M
4- M
-------
3-13
A251.
A252.
A253.
A254.
A255.
A256.
A257.
A258.
A259.
A260.
A261.
A262.
A263.
A264.
A265.
A266.
A267.
A268.
A269.
A270.
A271.
A272.
A273.
A274.
A275.
H
H
H
H
H
H
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
N20
N20
N20
0 + M
02
02 4- M
HN
HNO
HNO
HO
HO
H02
H02
H02
H20
NO
NO
N02
N02
N02
N20
0 4- M
0
02
02
= HN
= HNO
= HO
= HO
= HO
= H02
= H2
= H2
= H20
= H2
= H20
= HNO
= H2
= H20
= HNO
= HNO
= HO
= HNO
= HO
= H02
= HNO
= HNO
= HO
= HNO
= HO
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4;
4-
4-
NO
N
N2
4- M
0
4- M
N2
N20
N2
NO
N
HO
N02
NO
H2
N
N2
NO
N20
N2
N2
4- M
N
0
NO
-------
3-14
A276. HN
A277. HNO
A278. HNO
A279. HNO
A280. HNO
A281. HNO
A282. HNO
A283. HNO
A284. HNO
A285. HNO
A286. HNO
A287. HNO
A288. HNO
A289. HNO
A290. HO
A291. HO
A292. HO
A293. HO
A294. HO
A295. HO
A296. HO
A297. HO
A298. HO
A299. H2
A300. H2
+ 02
+ M
4- HNO
+ HO
4- HO
4- H02
4- N
4- NO
4- NO
4- N02
*- 0
4- 0
4- 02
* 02
+ HO
4- HO
4- H02
4- H20
4- NO
+ N02
4- N20
4-0 4- M
4- 02
4- NO
4- N02
= H02
= HO
« H20
* H2
y\ (
= H20
= H20
x HO
* HO
* H02
= H02
= HO
= H02
= HO
» H02
» H2
= H20
= H20
= H02
= H02
= H02
= H02
= H02
= H02
= H20
= H20
4- N
4 N 4- M
4- N20
4- N02
~1
4- NO
4- N02
4- N2
^ N20
^ N2
4- N20
4- NO
+ N
4- N02
4- NO
4- 02
4- 0
^ 02
+ H2
4- N
4- NO
4- N2
4-
4- 0
4- N
4- NO
-------
3-15
A301.
A302.
A303.
A3CH.
A305.
A306.
A307.
A308.
A309.
A310.
A311.
A312.
A313.
A314.
A315.
A316.
A317-
A318.
A319.
A320.
A321.
A322.
H2
H2
H2
N
N
N
N
N
N
N
N
N
N
NO
NO
NO
NO
NO
NO
N2
N2
0
4- N20
4-0 * M
4- 02
* N * M
4- NO
4- SO 4- M
4- N02
4- N02
4- N02
4- N20
4-0 4- M
4- 02
4-02 * M
4- NO
4- NO
4- N02
4- N20
4-0 4- M
4- 02
* 0 4- M
4- 02
4-0 + M
= H20
= H20
= H20
= N2
= N2
= N20
» NO
= N2
* N20
= NO
= NO
= NO
= N02
= N2
= N20
= N20
= N02
= N02
= N02
= N20
= N20
= 02
4- N2
4- 0
4- 0
4- NO
4- 02
4- 0
4- N2
4- 0
+ 02
4- 0
4- 02
4- N2
4- 0
4- 0
M
M
M
M
M
M
M
4- M
-------
4-1
4. TABLES OF THERMOCHEMICAL DATA
Thermochemical tables are presented for each of the 322 reactions
listed in Section 3. The filing order is the same as that described in
Section 3, with alphanumeric sorting according to the earliest species in
the sequence. Each reaction listed represents both the forward and the
reverse reaction with the reverse reaction having parameters with opposite
mathematical sign.
The tables give AHr, ACpr, ASr and Log Kc as a function of
temperature from 298 to 6000K as constructed from the information in the
JANNAF tables (referenced in Section 3). In addition, the values of Log
Kc from 1000-3000K have been fit to an expression compatible with the
form of the kinetic parameters. The expression is
K =
c
or
log KC = log A + B log T - C/ (2. 303) (1.987 x 10~3)T
where C is constrained to be AHr at 298K. The fit for A and B was thus
obtained from a least squares fit of a straight line.
log K + AH / (2. 303) (1.987 x 10~3)T = A + B log T
C r298
The standard error of estimate given is the standard error of log Kc from
1000-3000.
-------
4-2
i.
CH
CHN
CH2
CN
2.
CH
CHD
CH2 + CO
THERMOCHEH1CAL DATA
THERHOCHEHICAL DATA
T
(DEG K)
298
SOD
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
22.050
21.918
21.408
20.963
20.319
19.687
19.195
18.876
18.702
18.617
18.566
18.507
18.414
CP
(GIBBS/MOLE)
-0.305
-0.844
-0.900
-1.185
-1.331
-1.155
-0.809
-0.475
-0.239
-0.120
-0.098
-0.145
-0.231
S
(GIBBS/HOLE)
2.797
2.472
1.662
1.448
1.080
0.795
0.616
0.516
0.470
u.450
0.439
0.429
0.413
LOG KC
(C IN
MOLE/CO
-15.552
-9.040
-4.288
-2.738
-1.984
-1.547
-1.263
-1.067
-0.920
-0.807
-0.716
-0.642
-0.581
T
(DES K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-85.067
-84.805
-85.217
-85.285
-85.555
-85.913
-86.298
-86..671
-87.031
-87.351
-87.675
-88.003
-68.346
CP
(GIBBS/HOLE)
-0.007
-0.161
-0.445
-0.650
-0.851
-0.953
-0.974
-0.967
-0.963
-0.980
-1.018
-1.082
-1.166
S
(GIBBS/HOLE)
-3.848
-3.881
-4.105
-4.321
-4.537
-4.741
-4.917
-5.067
-5.196
-5.309
-5.415
-5.514
-5.612
LOG KC
(C IN
MOLE/CO
61.517
36.219
17.710
11.481
8.357
6.493
5.212
4.303
3.619
3.081
2.648
2.291
1.991
PARAMETERS FOR KC
LOG A B C
1.720 -0.39 22.050
STD ERROR OF ESTIMATE
0.007
PARAMETERS FOR KC
LOG A B C
-0.292 -0.19 -85.067
STO ERROR OF ESTIMATE - 0.010
X 3.
CH
CH20
CHO
CH2
X 4.
CH
CH2D
= CHS + CO
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
IKCAL/MOLE)
-14.700
-14.778
-14.562
-14.915
-15.606
-16.447
-17.346
-18.256
-19.152
-20.066
-20.978
-21.912
-22.876
CP
(GIBBS/MOLE)
1.105
0.772
-0.223
-0.912
-1.370
-1.574
-1.608
-1.573
-1.522
-1.484
-1.470
-1.481
-1.505
S
(GIBBS/MOLE)
4.007
4.523
4.721
4.493
4.163
3.829
3.539
3.292
3.087
2.910
2.754
2.613
2.485
LOG KC
(C IN
MOLE/CO
11.649
7.448
4.198
3.155
2.616
2.256
2.037
1.858
1.721
1.610
1.518
1.443
1.377
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-107.647
-107.512
-107.579
-107.997
-108.582
-109.235
-109.896
-110.533
-111.144
-111.730
-112.305
-112.881
-113.464
CP
(GIBBS/MOLE)
u.780
0.449
-0.579
-1.042
-1.265
-1.329
-1.303
-1.248
-1.194
-1.159
-1.146
-1.157
-1.182
S
(GIBBS/HOLE)
-2.387
-2.033
-2.085
-2.417
-2.752
-3.045
-3.285
-3.482
-3.644
-3.782
-3.904
-4.015
-4.115
LOG KC
(C IN
MOLE/CO
78.386
46.549
23.054
15.206
11.263
8.883
7.287
6.139
5.275
f.599
4.054
3.608
3.234
PARAMETERS FOR KC
LOG A B C
1.164 -0.05 -14.700
PARAMETERS FOR KC
LOG A B C
0.046 -0.16 -107.647
STO ERROR OF ESTIMATE
0.022
STD ERROR OF ESTIMATE - 0.014
-------
4-3
X 5.
CH
CHI
= CH2 * CH2
CH
CH30
CHO + CH3
THERMOCHEHICAL DATA
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
7.880
7.929
7.800
7.797
7.421
6.875
6.252
5.606
4.961
t.313
3.652
2.966
2.242
CP
(GIBBS/MOLE)
0.318
0.162
-0.089
-0.520
-0.956
-1.198
-1.279
-1.292
-1.291
-1.305
-1.342
-1.406
-1.489
S
(GIBBS/MOLE)
2.546
2.675
2.701
2.589
2.378
2.133
1.907
1.707
1.535
1.383
1.243
1.114
0.988
LOG KC
(C IM
HOLE/CO
-5.220
-2.882
-1.146
-0.570
-0.290
-0.134
-0.038
0.022
0.065
0.092
0.112
0.126
0.134
r
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-101.180
-101.209
-101.052
-101.713
-102.651
-103.726
-104.852
-105.989
-107.115
-108.261
-109.404
-110.568
-111.758
CP
(GIBBS/HOLE)
1.582
0.789
-0.648
-1.412
-1.849
-2.032
-2.062
-2.030
-1.984
-1.948
-1.932
-1.938
-1.954
S
(GIBBS/HOLE)
3.073
3.726
J.760
3.342
2.868
2.431
2.058
1.741
1.475
1.243
1.038
0.853
0.685
LOG KC
1C IN
MOLE/CO
74.838
45.053
22.907
15.549
11.844
9.580
8.089
6.998
6.174
5.529
5.009
4.593
4.330
PARAMETERS FOR KC
L3G A B C
0.825 -0.08 7.880
STD ERROR 3F ESTIMATE
0.010
PARAMETERS FOR KC
LOG A B C
1.328 -0.17 -101.180
STD ERROR OF ESTIMATE
0.025
X 7.
CH
CH30
CH2 + CH20
X 8.
CH
CH30
CH4 + CO
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-78.600
-78.502
-78.690
-79.001
-79.624
-80.404
-81.254
-82.127
-83.002
-83.882
-84.774
-85.690
-86.640
CP
(GIBBS/MOLE)
0.795
0.179
-0.514
-1.020
-1.435
-1.656
-1.733
-1.749
-1.753
-1.769
-1.804
-1.863
-1.938
S
.(GIBBS/HOLE)
1.612
1.878
1.740
1.438
1.083
0.735
0.426
0.156
-0.077
-0.284
-0.473
-0.646
-0.812
LOG KC
(C IH
HOLE/CO
57.969
34.723
17.563
11.824
8.938
7.190
6.014
5.162
4.518
4.011
3.603
3.276
3.087
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4300
4500
5000
5500
6000
H
(KCAL/MOLE)
-189.312
-189.477
-190.062
-190.631
-191.251
-191.908
-192.564
-193.194
-193.797
-194.377
-194.945
-195.516
-196.096
CP
(GIBBS/MOLE)
-0.452
-1.086
-1.132
-1.180
-1.291
-1.324
-1.290
-1.232
-1.180
-1.146
-1.135
-1.148
-1.177
S
(GIBBS/MOLE)
-5.269
-5.677
-6.489
-6.949
-7.305
-7.600
-7.838
-8.033
-8.193
-8.330
-8.451
-8.559
-8.660
LOG KC
(C IN
MOLE/CO
137.619
81.579
40.119
26.255
19.302
15.115
12.315
10.307
8.797
7.619
6.674
5.911
5.360
PARAMETERS FOR KC
L3G A B C
0.988 -0.19 -78.600
STD ERROR OF ESTIMATE
0.014
PARAMETERS FOR KC
LOG A B C
0.121 -0.45 -189.312
STD ERROR OF ESTIMATE
0.005
-------
4-4
X v.
CH
CH4
CH2
CH3
X 10.
CH
C02
= CHO
CO
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
3.065
3.463
3.793
3.633
3.045
2.269
1.414
0.534
-0.349
-1.235
-2.134
-3.055
-4.008
CP
(GIBBS/MOLE)
2.027
1.714
0.039
-0.882
-1.409
-1.661
-1.746
-1.765
-1.767
-1.782
-1.815
-1.872
-1.943
S
(GIBBS/HOLE)
4.494
5.522
6.144
5.970
5.636
5.290
4.979
4.707
4.472
4.264
<».074
3.898
3.733
tOG KC
(C IN
HOLE/CO
-1.264
-0.307
0.498
0.775
0.899
u.958
0.986
0.994
0.996
0.991
0.983
0.973
0.961
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-65.363
-65.856
-66.351
-67.233
-68.276
-69.431
-70.638
-71.866
-73.098
-74.365
-75.649
-76.976
-78.363
CP
(GIBBS/HOLE)
-0.612
-1.315
-1.347
-1.687
-2.022
-2.188
-2.233
-2.225
-2.211
-2.209
-2.230
-2.297
-2.382
S
(GIBBS/MOLE)
6.086
5.547
4.619
4.017
3.482
3.008
2.606
2.261
1.966
1.706
1.471
1.255
1.053
LOG KC
(C IN
HOLE/CO
49.240
29.999
15.511
10.673
8.223
6.708
3.716
4.981
4.423
3.984
3.628
3.334
3.086
PARAMETERS FOR KC
LOG A B C
0.914 0.09 3.065
STD ERROR OF ESTIMATE
0.022
PARAMETERS FOR KC
LOG A B C
2.986 -0.58 -65.363
STD ERROR 3F ESTIMATE
0.016
X 11.
CH
* H
» M
CH2
X 12.
CH
HN
CHN + H
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-101.750
-102.421
-103.674
-104.407
-105.107
-105.772
-106.395
-106.970
-107.501
-108.003
-108.496
-108.996
-109.516
CP
(GIBBS/MOLE)
-3.671
-2.993
-1.859
-1.451
-1.363
-1.295
-1.197
-1.101
-1.028
-0.990
-0.986
-1.015
-1.067
S
(GIBBS/MOLE)
-24.789
-26.522
-28.207
-28.865
-29.267
-29.566
-29.792
-29.970
-30.112
-30.230
-30.334
-30.429
-30.519
LOG KC
(C IN
MOLE/CO
73.553
43.583
21.391
13.993
10.304
0.097
6.631
5.587
4.808
4.205
3.726
3.335
3.011
T
IDES K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-147.612
-147.543
-146.790
-146.000
-145.397
-144.936
-144.541
-144.176
-143.829
-143.504
-143.215
-142.970
-142.792
CP
(GIBBS/MOLE)
-0.400
0.921
1.719
1.393
1.037
0.838
0.752
0.711
0.674
0.619
0.538
0.426
U.287
S
(GIBBS/MOLE)
-11.410
-11.263
-10.251
-9.605
-9.257
-9.049
-8.906
-8.793
-8.699
-8.623
-8.563
-8.516
-8.485
LOG KC
(C IN
MOLE/CC)
105.711
62.031
29.841
19.173
13.866
10.692
8.584
7.080
5.958
5.085
4.388
3.820
3.347
PARAMETERS FOR KC
LOG A B C
-1.266 0.13 -101.750
PARAMETERS FOR KC
LOG A B C
-4.017 0.53 -147.612
STD ERROR OF ESTIMATE = 0.005
STD ERROR OF ESTIMATE
0.003
-------
X 13.
CH
+ HN
CH2
X 14.
CH
f HN
-r H2
THERHOCHEMICAL DATA
THERMOCHEHICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-26.697
-26.770
-26.650
-26.306
-26.177
-26.181
-26.246
-26.321
-26.366
-26.359
-26.291
-26.153
-25.949
CP
(GIBBS/HOLE)
-0.701
-0.051
0.606
0.421
0.100
'0.096
-0.159
-0.135
-0.055
0.057
0.188
0.317
0.437
S
(GIBBS/HOLE)
-4.076
-4.277
-4.039
-3.815
-3.739
-3.741
-3.765
-3.790
-3.802
-3.802
-3.790
-3.766
-3.733
LOG KC
(C IN
MOLE/CCI
18.684
10.770
4. 928
3.000
2.045
1.473
1.091
0.816
0.612
0.451
U.323
0.219
0.133
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-128.012
-128.004
-127.938
-128.104
-128.431
-128.707
-128.787
-128.642
-128.292
-127.792
-127.203
-126.567
-125.922
CP
(GIBBS/MOLE)
-0.078
0.127
-0.039
-0.557
-0.672
-0.383
0.063
0.511
0.869
1.108
1.238
1.290
1.287
S
(GIBBS/HOLE)
-7.400
-7.385
-7.288
-7.414
-7.602
-7.727
-7.757
-7.713
-7.619
-7.503
-7.379
-7.257
-7.145
LOG KC
(C IN
MOLE/CO
92.218
54.337
26.368
17.044
12.373
v.562
7.687
0.346
5.344
4.566
3.947
3.443
3.025
PARAMETERS FOR KC
L3G A B C
-1.252 0.11 -26.697
STO ERROR OF ESTIMATE
0.001
PARAMETERS FOR KC
LOG A B C
-1.424 -0.06 -128.012
STD ERROR OF ESTIMATE
0.007
X 15.
CH
HNO
CHN
HO
X 16.
CH
HNO
CHO + HN
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-124.008
-123.877
-123.695
-123.719
-123.817
-123.906
-1231936
-123.890
-123.771
-123.593
-123.376
-123.132
-122.884
CP
(GIBBS/MOLE)
0.486
0.660
0.100
-0.155
-0.209
-0.129
0.015
0.168
0.301
0.401
0.467
0.496
0.494
S
(GIBBS/MOLE)
-4.357
-4.025
-3.749
-3.766
-3.822
-3.861
-3.873
-3.858
-3.827
-3.786
-3.740
-3.694
-3.651
LOG KC
(C IN
MOLE/CO
89.947
53.266
26.214
17.202
12.695
9.987
8.182
6.892
5.926
5.175
4.575
4.086
3.679
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-66.788
-67.079
-67.001
-67.350
-67.823
-68.351
-68.873
-69.359
-69.794
-70.213
-70.595
-70.962
-71.325
CP
(GIBBS/MOLE)
-0.016
-0.118
-0.281
-0.598
-0.826
-0.875
-0.804
-0.688
-0.565
-0.458
-0.374
-0.313
-0.268
S
(GIBBS/MOLE)
0.508
0.476
0.350
0.178
-0.030
-0.223
-0.376
-0.492
-0.576
-0.636
-0.680
-0.713
-0.737
LOG KC
(C IN
HOLE/CO
49.063
29.423
14.719
9.851
7.405
5.908
4.935
t.223
3.687
3.271
2.937
2.665
2.438
PARAMETERS FOR KC
LOG A B C
-1.120 0.07 -124.008
PARAMETERS FOR KC
LOG A B C
0.505 -0.12 -66.788
STD ERROR OF ESTIMATE
0.005
STD ERROR OF ESTIMATE
0.013
-------
4-6
X 17.
CH
HNO
CH2 + NO
X IS.
CH
HNO
CH20 + N
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(OEG K)
298
500
1000
1500
2000
2SOO
3000
3500
4000
4500
5000
5500
6000
H
IKCAL/MOLE)
-51.870
-51.865
-52.022
-52.111
-52.394
-52.761
-53.148
-53.519
-53.865
-54.191
-54.510
-54.834
-55.176
CP
(GIBBS/HOLE)
0.151
-0.080
-0.222
-0.442
-0.674
-0.772
-0.764
-0.717
-0.669
-0.642
-0.638
-0.662
-0.705
S
(GIBBS/HOLE)
0.221
0.241
0.126
-0.001
-0.162
-0.326
-0.466
-0.581
-0.674
-0.751
-0.818
-0.879
-0.939
LOG KC
(C IN
HOLE/CO
38.070
22.722
11.381
r.592
5.690
4.541
3.770
3.214
2.796
2.467
2.203
1.987
1.804
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-78.785
-79.071
-79.089
-78.741
-78.394
-78.085
-77.773
-77.424
-77.008
-76.506
-75.908
-75.203
-74.398
CP
(GIBBS/HOLE)
-1.822
-0.941
0.548
0.735
0.644
U.603
0.645
0.750
0.902
1.083
1.284
1.485
1.674
S
(GIBBS/HOLE)
-7.575
-8.324
-8.410
-8.130
-7.932
-7.793
-7.680
-7.574
-7.465
-7.348
-7.224
-7.092
-6.955
LOG KC
(C IN
MOLE/CO
56.098
32.745
15.449
9.696
6.834
5.125
3.989
3.181
2.578
2.112
1.742
1.441
1.194
PARAMETERS FOR KC
LOG A B C
0.376 -0.10 -51.870
STD ERROR OF ESTIMATE
0.005
PARAMETERS FOR KC
LOG A B C
-1.911 0.04 -78.785
STD ERROR OF ESTIMATE
U.011
X 19.
CH + HNO
CN
H20
X 20.
CH
HO
CHO + H
THERMOCHEMICAL DATA
THERHOCHEMICAL DATA
T
OEG Kl
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-119.598
-119.709
-120.284
-121.020
-121.712
-122.192
-122.369
-122.246
-121.882
-121.353
-120.726
-120.051
-119.365
CP
(GIBBS/MOLE)
-0.258
-0.799
-1.390
-1.491
-1.217
-0.670
-0.041
0.510
0.918
1.177
1.314
1.370
1.373
S
(GIBBS/MOLE)
-2.938
-3.209
-3.983
-4.579
-4. 980
-5.196
-5.261
-5.225
-5.128
-5.004
-4.872
-4.743
-4.624
LOG KC
(C IN
MOLE/CO
87.023
51.622
25.417
16.631
12.211
9.546
7.764
6.490
5.538
4.799
t.212
3.734
3.338
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-90.392
-90.745
-90.096
-89.631
-89.403
-89.381
-89.478
-89.645
-89.852
-90.124
-90.434
-90.800
-91.233
CP
(GIBBS/MOLE)
-0.902
0.143
1.338
0.950
0.420
0.092
-0.067
-0.145
-0.192
-0.240
-0.303
-0.383
-0.475
S
(GIBBS/MOLE)
-6.545
-6.762
-6.152
-5.661
-5.465
-5.411
-5.409
-5.427
-5.448
-5.473
-5.503
-5.535
-5.571
LOG KC
(C IN
MOLE/CC)
64.827
38.188
18.346
11.822
8.576
0.613
5.337
4.411
3.719
3.181
2.750
2.399
2.106
PARAMETERS FOR KC
LOG A B C
0.716 -0.47 -119.598
STD ERROR OF ESTIMATE = 0.005
PARAMETERS FOR KC
LOG A B C
-2.390 0.32 -90.392
STO ERROR OF ESTIMATE " 0.008
-------
4-7
X 21.
CH
HO
CH2
X 22.
CH
HO
CH20
THERHOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
IKCAL/MOLE)
u.417
0.355
0.528
0.972
1.202
1.291
1.306
1.297
1.285
1.273
1.253
1.213
1.139
CP
(GIBBS/HOLE)
-0.633
0.001
0.776
0.632
0.297
0.081
-0.005
-0.025
-0.023
-0.028
-0.055
-0.109
-0.187
S
(GIBBS/MOLE)
-2.810
-2.981
-2.675
-2.370
-2.236
-2.197
-2.189
-2.193
-2.196
-2.198
-2.203
-2.210
-2.222
LOG KC
1C IN
HOLE/CO
-0.918
-0.806
-0.716
-0.659
-0.620
-0.592
-0.573
-0.561
-0.550
-0.543
-0.536
-0.531
-0.528
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-177.442
-178.388
-179.208
-179.123
-178.904
-178.706
-178.527
-178.359
-178.201
-178.061
-177.952
-177.884
-177.873
CP
(GIBBS/MOLE)
-5.678
-3.622
-0.298
U.411
0.427
0.371
0.344
0.327
0.302
0.254
0.181
0.083
-0.037
S
(GIBBS/HOLE)
-35.341
-37.807
-39.080
-39.019
-38.895
-38.806
-38.740
-38.689
-38.647
-38.613
-38.591
-38.577
-38.575
LOG KC
(C IN
HOLE/CO
126.731
74.323
35.539
22.660
16.264
12.454
9.931
8.140
0.806
5.776
..958
4.291
3. 740
PARAMETERS FOR KC
LOG A B C
-1.152 0.17 0.417
STD ERROR OF ESTIMATE
0.001
PARAMETERS FOR KC
LOG A B C
-4.822 0.51 -177.442
STD ERROR OF ESTIMATE
0.023
X 23.
CH
+ HO
CO
H2
X 24.
CH
H02
CHO + HO
THERHOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-177.909
-177.929
-177.869
-177.983
-178.311
-178.752
-179.217
-179.658
-180.048
-180.380
-180.663
-180.907
-181.123
CP
(GIBBS/MOLE)
-0.282
0.032
0.035
-0.465
-0.809
-0.927
-0.921
-0.837
-0.721
-0.611
-0.523
-0.456
-0.410
S
(GIBBS/MOLE)
-9.180
-9.237
-9.156
-9.239
-9.427
-9.625
-9.793
-9.930
-10.034
-10.112
-10.173
-10.219
-10.256
LOG KC
(C IN
MOLE/CO
128.403
75.753
36.871
23.912
17.424
13.523
10.915
9.047
7.644
6.550
5.673
4.955
4.356
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-128.508
-128.796
-128.758
-129.127
-129.620
-130.174
-130.729
-131.256
-131.738
-132.208
-132.648
-133.075
-133.501
CP
(GIBBS/MOLE)
0.126
-0.194
-0.331
-0.634
-0.871
-0.934
-0.878
-0.775
-0.664
-0.568
-0.493
-0.437
-0.395
S
(GIBBS/MOLE)
-0.558
-0.581
-0.763
-0.951
-1.169
-1.374
-1.540
-1.668
-1.763
-1.836
-1.892
-1.937
-1.972
LOG KC
(C IN
HOLE/CO
94.073
56.170
27.973
18.605
13.909
11.060
y.188
7.831
6.812
0.019
5.384
<».865
4.433
PARAMETERS FOR KC
LOG A B C
-1.810 -0.06 -177.909
PARAMETERS FOR KC
LOG A B C
0.320 -0.14 -128.508
STO ERROR OF ESTIMATE
0.009
STD ERROR OF ESTIMATE
0.013
-------
4-8
X 25.
CH
M02
CH2
02
X 26.
CH
H02
» CH20 * 0
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MQLE)
-54.650
-54.660
-54.726
-54.649
-54.746
-54.877
-54.960
-54.955
-54.863
-54.703
-54.504
-54.289
-54.080
CP
(GIBBS/HOLE)
-0.021
-0.073
0.080
-0.095
-0.261
-0.236
-0.081
0.101
0.260
u.368
0.422
0.430
0.403
S
(GIBBS/HOLE)
-2.776
-2.799
-2.800
-2.793
-2.847
-2.907
-2.936
-2.936
-2.911
-2.873
-2.832
-2.790
-2.753
LOG KC
(C IN
HOLE/CO
39.453
23.280
11.332
7.352
5.360
4.162
3.363
2.789
2.361
2.028
1.763
1.547
1.368
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
IKCAL/HOLE)
-113.391
-113.663
-113.668
-113.240
-112.812
-112.436
-112.077
-111.703
-111.301
-110.869
-110.417
-109.950
-109.486
CP
(GIBBS/HOLE)
-1.612
-0.965
u.668
0.910
0.796
0.721
0.725
0.773
0.835
0.888
0.922
0.935
0.923
S
(GIBBS/HOLE)
-7.375
-8.085
-8.159
-7.814
-7.568
--7. 400
-7.268
-7.153
-7.046
-6.944
-6.849
-6.760
-6.679
LOG KC
(C IN
MOLE/CO
81.506
47.916
23.059
14.791
10.673
8.212
0.578
5.412
4.541
3.866
3.330
2.891
2.526
PARAMETERS FOR KC
LOG A B C
-0.573 -0.01 -54.650
STD ERROR OF ESTIMATE
0.002
PARAMETERS FOR KC
LOG A B C
-1.996 0.08 -113.391
STD ERROR OF ESTIMATE
U.012
X 27.
CH + H02
CO
H20
X 28.
CH
H02
C02 + H2
THERMOCHEHICAL DATA
THERMOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-231.215
-231.351
-231.972
-232.676
-233.389
-234.060
-234.655
-235.159
-235.582
-235.936
-236.239
-236.504
-236.742
CP
(GIBBS/MOLE)
-0.320
-0.970
-1.366
-1.435
-1.399
-1.273
-1.099
-0.925
-0.771
-0.652
-0.566
-0.500
-0.451
S
(GIBBS/MOLE)
-5.784
-6.118
-6.964
-7.533
-7.944
-8.245
-8.461
-8.618
-8.730
-8.813
-8.878
-8.929
-8.970
LOG KC
(C IN
MOLE/CO
168.218
99.785
49.174
32.253
23.766
18.659
15.245
12.799
10.963
9.531
8.385
(.446
6.664
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-241.054
-240.869
-240.276
-239.877
-239.655
-239.495
-239.308
-239.048
-238.688
-238.223
-237.662
-237.006
-236.261
CP
(GIBBS/MOLE)
0.456
1.153
1.051
0.588
0.342
0.327
0.434
0.613
0.826
1.030
1.214
1.404
1.577
S
(GIBBS/MOLE)
-15.824
-15.365
-14.538
-14.207
-14.078
-14.007
-13.939
-13.859
-13.763
-13.654
-13.536
-13.411
-13.281
LOG KC
(C IN
MOLE/CO
173.236
101.924
49.333
31.844
23.110
17.875
14.387
11.897
10.033
0.585
7.429
6.486
5.703
PARAMETERS FOR KC
LOG A B C
0.144 -0.50 -231.215
PARAMETERS FOR KC
LOG A B C
-4.476 0.37 -241.054
STD ERROR OF ESTIMATE
0.006
STD ERROR OF ESTIMATE
0.004
-------
4-9
X 29.
CH
H2
CH2 * H
X 30.
CH
+ H2 + M
CH3
THERHOCHEHICAL DATA
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1SOO
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
2.450
2.379
2.556
J.067
3.353
3. 458
3.441
3.342
3.165
2.905
2.554
2.104
1.544
CP
(GIBBS/HOLE)
-0.627
-0.050
0.858
0.765
0.378
0.066
-0.120
-0.275
-0.434
-0.609
-0.798
-1.009
-1.231
S
(GIBBS/HOLE)
-1.213
-1.406
-1.101
-0.743
-0.575
-0.527
-0.533
-0.564
-0.610
-0.670
-0.745
-0.830
-0.927
LOG KC
(C IN
MOLE/CO
-2.059
-1.346
-0.815
-0.609
-0.491
-0.417
-0.366
-0.333
-0.306
-0.288
-0.275
-0.265
-0.259
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-107.180
-107.971
-108.918
-109.137
-109.175
-109.189
-109.206
-109.234
-109.297
-109.411
-109.594
-109.858
-110.214
CP
(GIBBS/MOLE)
-4.616
-3.205
-0.912
-0.166
-0.029
-0.031
-0.038
-0.084
-0.171
-0.294
-0.442
-0.618
-0.809
S
(GIBBS/HOLE)
-28.548
-30.603
-32.009
-32.197
-32.220
-32.226
-32.232
-32.241
-32.257
-32.283
-32.322
-32.373
-32.434
LOG KC
(C IN
MOLE/CCI
76.714
45.119
21.722
13.954
10.103
7.814
6.303
5.232
4.437
3.825
3.339
2.944
2.618
PARAMETERS FOR KC
LOG A B C
-0.872 0.19 2.450
STO ERROR OF ESTIMATE
0.003
PARAMETERS FOR KC
LOG A B C
-2.964 0.41 -107.180
STO ERROR 3F ESTIMATE
0.018
X 31.
CH + H20
CHO + H2
X 32.
CH + H20
CH2 + HO
THERMOCHEHICAL DATA
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-75.202
-75.374
-74.655
-74.434
-74.542
-74.866
-75.291
-75.755
-76.204
-76.652
-77.072
-77.478
-77.882
CP
(GIBBS/MOLE)
0.164
0.808
1.070
0.336
-0.281
-0.588
-0.700
-0.687
-0.614
-0.527
-0.450
-0.393
-0.354
S
(GIBBS/HOLE)
-3.954
-3.700
-2.955
-2.657
-2.652
-2.754
-2.872
-2.980
-3.067
-3.135
-3.187
-3.227
-3.258
LOG KC
(C IN
HOLE/CO
54.258
32.138
15.670
10.264
7.567
3.924
4.858
f.079
3.493
3.038
2.672
2.374
2.125
T
(OES K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
17.640
17.750
17.997
18.264
18.214
17.973
17.628
17.232
16.813
16.377
15.916
15.426
14.895
CP
(GIBBS/MOLE)
0.439
0.615
U.590
0.151
-0.323
-0.614
-0.753
-0.817
-0.856
-0.896
-0.945
-1.019
-1.110
S
(GIBBS/MOLE)
1.378
1.656
2.096
2.261
2.238
2.130
2.004
1.883
1.771
1.668
1.571
1.478
1.386
LOG KC
(C IN
MOLE/CC)
-12.628
-7.396
-3.491
-2.167
-1.500
-1.106
-0.845
-0.665
-0.532
-0.431
-0.353
-0.290
-0.240
PARAMETERS FOR KC
LOG A B C
-1.634 0.29 -75.202
STO ERROR OF ESTIMATE - 0.014
PARAMETERS FOR KC
LOG A B C
-0.116 0.16 17.640
STO ERROR OF ESTIMATE
0.007
-------
4-10
X 33.
CH
H20
= CH20 + H
X 34.
H20
CH3 + Q
THERHOCHEH1CAL DATA
THERHOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-58.052
-58.217
-57.537
-56.452
-55.583
-54.961
-54.504
-54.157
-53.887
-53.681
-53.540
-53.462
-53.462
CP
(GIBBS/HOLE)
-1.568
-0.014
2.151
2.013
1.467
1.052
0.788
0.611
0.474
0.348
0.222
0.079
-0.080
S
(GIBBS/HOLE)
-9.174
-9.629
-8.777
-7.893
-7.390
-7.110
-6.944
-6.836
-6.764
-6.715
-6.686
-6.670
-6.670
LOG KC
(C IN
HOLE/CO
40.550
23.344
10.657
0.500
4.460
3.251
2.455
1.888
1.466
1.140
0.879
0.666
0.489
T
(OEG Kl
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
10.177
10.176
10.725
11.439
11.995
12.389
12.682
12.923
13.137
13.337
13.517
13.673
13.792
CP
(GIBBS/HOLE)
-0.512
0.454
1.455
1.303
0.930
0.665
0.521
0.450
0.412
0.381
0.342
0.278
0.192
S
(GIBBS/HOLE)
-3.978
-4.000
-3.280
-2.698
-2.376
-2.200
-2.092
-2.017
-1.960
-1.913
-1.875
-1.846
-1.824
LOG KC
(C IN
HOLE/CO
-8.326
-5.320
-3.061
-2.256
-1.830
-1.564
-1.380
-1.248
-1.147
-1.066
-I. 001
-0.947
-0.902
PARAMETERS FOR KC
LOG A B C
-3.672 0.54 -58.052
STD ERROR OF ESTIMATE
0.011
PARAMETERS FOR KC
LOG A B C
-2.093 0.41 10.177
STD ERROR OF ESTIMATE
0.004
X 35.
CH
H20
CH30
X 36.
CH
* M
CHN
THERHOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
IKCAL/MOLE)
-81.202
-82.136
-82.521
-81.858
-81.06o
-80.329
-79.645
-79.000
-78.386
-77.802
-77.262
-76.768
-76.338
CP
(GIBBS/MOLE)
-6.034
-3.186
0.806
1.582
1.539
1.413
1.324
1.259
1.199
1.127
1.040
0.927
0.791
S
(SI BBS/HOLE I
-35.575
-38.029
-38.724
-38.196
-37.740
-37.411
-37.162
-36.962
-36.799
-36.661
-36.547
-36.453
-36.377
LOG KC
(C IN
HOLE/CO
56.134
32.204
14.485
8.669
5.826
4.158
3.072
2.313
1.756
1.334
1.002
0.725
0.413
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-222.665
-223.194
-223.814
-224.101
-224.327
-224.527
-224.690
-224.825
-224.964
-225.148
-225.420
-225.813
-226.359
CP
(GIBBS/MOLE)
-3.370
-2.021
-0.746
-0.479
-0.426
-0.361
-0.286
-0.255
-0.299
-0.428
-0.636
-0.906
-1.217
S
(GIBBS/MOLE)
-32.123
-33.508
-34.419
-34.655
-34.785
-34.874
-34.933
-34.973
-35.009
-35.051
-35.107
-35.179
-35.271
LOG KC
(C IN
MOLE/CO
160.580
94.844
46.304
30.166
22.125
17.316
14.124
11.851
10.154
8.839
7.791
6.936
6.225
PARAMETERS FOR KC
LOG A B C
-5.927 0.87 -81.202
PARAMETERS FOR KC
LOG A B C
-4.031 0.55 -222.665
STD ERROR 3F ESTIMATE
0.030
STD ERROR OF ESTIMATE
0.007
-------
4-11
X 37.
CH
+ N
CN
X 38.
CH
NO
CHN
THERHOCHEMICAL DATA
THERHOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-98.865
-98.855
-98.732
-98.731
-98.901
-99.068
-99.100
-98.979
-98.761
-98.528
-98.358
-98.310
-98.429
CP
(GIBBS/HOLE)
-0.004
0.128
0.213
-0.213
-0.394
-0.221
0.102
0.371
0.490
0.442
0.252
-0.036
-0.381
S
(GIBBS/HOLE)
-4.537
-4.514
-4.350
-4.342
-4.438
-4.513
-4.525
-4.487
-4.427
-4.371
-4.334
-4.321
-4.339
LOG KC
(C IN
MOLE/CO
71.475
42.221
20.625
13.435
v.837
7.672
6.230
5.197
4.426
3.827
3.349
2.959
2.633
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-71.721
-71.657
-71.145
-70.636
-70.221
-69.854
-69.482
-69.074
-68.621
-68.129
-67.613
-67.085
-66.569
CP
(GIBBS/HOLE)
-0.298
0.741
1.098
0.919
0.762
0.724
U.774
0.860
0.947
1.015
1.050
1.049
1.012
S
(GIBBS/HOLE)
-7.388
-7.247
-6.550
-6.135
-5.896
-5.732
-5.596
-5.470
-5.349
-5.233
-5.125
-5.025
-4.934
LOG KC
1C IN
MOLE/CC)
50.959
29.738
14.117
8.951
6.385
t.854
3.839
3.117
2.580
2.165
1.836
1.568
1.347
PARAMETERS FOR KC
LOG A B C
-1.044 0.02 -98.865
STD ERROR 3F ESTIMATE
0.005
PARAMETERS FOR KC
LOG A B C
-2.649 0.36 -71.721
STD ERROR OF ESTIMATE
0.002
X 39.
CH
NO
CHO + N
X 40.
CH
NO
CN
HO
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6COO
H
(KCAL/MOLE)
-41.615
-41.984
-41.629
-41.545
-41.606
-41.771
-41.971
-42.161
-42.295
-42.381
-42.376
-42.281
-42.098
CP
(GIBBS/MOLE)
-0.868
-0.089
0.547
0.265
-0.052
-0.199
-0.199
-0.106
0.049
0.241
0.452
U.666
0.874
S
(GIBBS/HOLE)
-3.789
-4.042
-3.815
-3.636
-3.607
-3.638
-3.675
-3.701
-3.704
-3.687
-3.652
-3.600
-3.531
LOG KC
(C IN
MOLE/CC)
29.677
17.471
8.266
5.259
J.760
2.840
2.256
1.825
1.503
1.255
1.057
0.897
0.767
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-50.088
-50.094
-50.265
-50.645
-51.104
-51.458
-51.593
-51.495
-51.204
-50.785
-50.300
-49.791
-49.294
CP
(GIBBS/MOLE)
0.030
-0.104
-0.578
-0.898
-0.866
-0.512
-0.030
0.410
0.731
0.923
1.007
1.013
u.968
S
(GIBBS/MOLE)
-1.781
-1.794
-2.013
-2.317
-2.580
-2.740
-2.791
-2.761
-2.683
-2.585
-2.483
-2.386
-2.299
LOG KC
(C IN
MOLE/CC)
36.325
21.504
10.545
6.872
5.021
3.899
3.149
2.611
2.210
1.901
1.656
1.457
1.294
PARAMETERS FOR KC
LOG A B C
-1.123 0.09 -41.615
PARAMETERS FOR KC
LOG A B C
0.223 -0.20 -50.088
STD ERROR OF ESTIMATE
0.008
STD ERROR OF ESTIMATE
0.006
-------
4-12
X 41.
CH
NO
CO
HN
X 42.
CH
N02
CHN + 02
THERMOCHEHICAL DATA
THERMOCHEMICAL DATA
T
(DEC K)
298
SOU
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
1KCAL/HOLE)
-99.985
-100.019
-100.196
-100.524
-100.984
-101.503
-102.023
-102.511
-102.960
-103.373
-103.760
-104.131
-104.495
CP
(GIBBS/MOLE)
-0.174
-0.199
-0.504
-0.806
-1.003
-1.056
-1.014
-0.938
-0.859
-0.796
-0.754
-0.733
-0.729
S
(GIBBS/HOLE)
-3.561
-3.646
-3.881
-4.142
-4.405
-4.638
-4.827
-4.978
-5.098
-5.194
-5.277
-5.348
-5.410
LOG KC
(C IN
HOLE/CO
72.510
42.920
21.048
13.740
10.072
7.860
6.377
5.312
4.510
3.885
3.382
2.969
2.625
T
(DES Kl
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
I KCAL/MOLE)
-117.610
-117.617
-117.576
-117.545
-117.523
-117.438
-117.229
-116.882
-116.412
-115.847
-115.223
-114.569
-113.914
CP
(GIBBS/HOLE)
-0.219
u.051
0.090
0.034
0.082
0.282
0.558
0.825
1.045
1.200
1.288
1.317
1.297
S
(GIBBS/HOLE)
-3.848
-3.871
-3.815
-3.790
-3.779
-3.741
-3.665
-3.559
-3.434
-3.301
-3.170
-3.045
-2.931
LOG KC
(C IN
HOLE/CO
85.369
50.564
24.862
16.297
12.016
9.448
7.739
6.520
5.610
4.905
4.343
3.887
3.509
PARAMETERS FOR KC
LOG A B C
-0.163 -0.21 -99.985
STD ERROR OF ESTIMATE
0.008
PARAMETERS FOR KC
LOG A B C
-0.929 0.02 -117.610
STD ERROR OF ESTIMATE
U.001
X 43.
CH + N02
CHO + NO
X 44.
CH
+ N02
CN
H02
THERMOCHEMICAL DATA
THERMOCHEHICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-119.330
-119.741
-119.935
-120.415
-120.974
-121.590
-122.210
-122.812
-123.381
-123.950
-124.501
-125.057
-125.627
CP
(GIBBS/MOLE)
-0.407
-0.810
-0.643
-0.792
-0.993
-1.059
-1.018
-0.936
-0.849
-0.779
-0.732
-0.708
-0.700
S
(GIBBS/MOLE)
2.948
2.613
2.097
1.817
1.559
1.327
1.138
0.986
0.867
0.771
0.692
U.623
0.562
LOG KC
(C IN
MOLE/CO
88.112
52.910
26.670
17.940
13.560
10.900
9.152
7.884
6.931
0.188
5.592
5.106
4.699
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-40.910
-41.039
-41.442
-41.933
-42.458
-42.874
-43.074
-43.051
-42.847
-42.527
-42.153
-41.773
-41.420
CP
(GIBBS/MOLE)
-0.503
-0.720
-0.890
-1.056
-0.988
-0.637
-0.170
0.249
0.546
0.712
0.768
0.742
0.663
S
(GIBBS/MOLE)
1.725
1.400
0.847
0.451
0.14B
-0.039
-0.113
-0.107
-0.053
0.022
0.101
0.174
0.235
LOG KC
(C IN
MOLE/CO
30.364
18.244
9.242
6.207
4.672
3.739
3.113
2.664
2.329
2.070
1.864
1.698
1.560
PARAMETERS FOR KC
LOG A B C
1.462 -0.28 -119.330
PARAMETERS FOR KC
LOG A B C
1.365 -0.35 -40.910
STD ERROR OF ESTIMATE
U.011
STD ERROR OF ESTIMATE
0.004
-------
4-13
X 45.
CH
N02
CO
HNO
X 46.
CH
M02
C02
HN
THERHOCHEMICAL DATA
THERHOCHEHICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-152.527
-152.681
-153.130
-153.589
-154.135
-154.742
-155.360
-155.964
-156.547
-157.110
-157.666
-158.226
-158.797
CP
(GIBBS/HOLE)
-0.565
-0.891
-0.866
-1.000
-1.170
-1.240
-1.228
-1.186
-1.143
-1.117
-1.112
-1.128
-1.161
S
(GIBBS/HOLE)
-1.121
-1.509
-2.134
-2.503
-2.816
-3.088
-3.313
-3.500
-3.655
-3.787
-3.905
-4.012
-4.111
LOG KC
(C IN
MOLE/CO
111.559
66.407
32.999
21.829
16.227
12.852
10.594
0.973
7.754
6.802
0.037
5.410
*r.886
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-153.952
-153.904
-153.780
-153.706
-153.682
-153.662
-153.595
-153.457
-153.243
-152.958
-152.612
-152.212
-151.759
CP
(GIBBS/MOLE)
0.031
0.306
0.200
u.089
0.026
0.073
0.201
0.351
0.503
0.634
u.744
0.856
0.953
S
(GIBBS/HOLE)
-6.699
-6.580
-6.403
-6.342
-6.328
-6.319
-6.295
-6.253
-6.197
-6.129
-6.056
-5.980
-5.901
LOG KC
1C IN
MOLE/CO
111.382
65.831
32.207
21.007
15.409
12.052
9.813
8.215
1.018
6.089
3.346
4.741
4.238
PARAMETERS FOR KC
LOG A B C
0.793 -0.37 -152.527
STD ERROR OF ESTIMATE
0.005
PARAMETERS FOR KC
LOG A B C
-1.687 0.08 -153.952
STD ERROR OF ESTIMATE
0.001
X 47.
CH
N2
CHN + N
X 48.
CH
N2
CN
HN
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
3.265
3.328
3.960
4.591
5.097
5.529
5.958
6.427
6.964
7.586
8.300
v.109
9.999
CP
(GIBBS/MOLE)
-0.395
0.846
1.375
1.127
0.911
0.839
0.881
0.990
1.144
1.322
1.506
1.676
1.818
S
(GIBBS/MOLE)
-4.665
-4.528
-3.672
-3.157
-2.867
-2.673
-2.518
-2.374
-2.232
-2.087
-1.939
-1.788
-1.635
LOG KC
(C IN
HOLE/CO
-3.408
-2.441
-1.666
-1.358
-1.182
-1.066
-0.983
-0.919
-0.866
-0.822
-0.784
-0.750
-0.717
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
52.012
52.016
52.018
51.860
51.593
51.397
51.399
51.624
52.032
52.562
53.157
53.769
54.362
CP
(GIBBS/MOLE)
0.001
0.053
-0.131
-0.479
-0.520
-0.220
0.231
0.650
0.960
i.145
1.220
1.214
1.150
S
(GIBBS/MOLE)
2.208
2.221
2.229
2.106
1.952
1.863
1.863
1.932
2.040
2.165
2.290
2.407
2.511
LOG KC
(C IN
MOLE/CO
-37.644
-22.251
-10.882
-7.096
-5.211
-4.086
-3.337
-2.802
-2.398
-2.080
-1.823
-1.611
-1.431
PARAMETERS FOR KC
LOG A B C
-2.265 0.43 J.265
STO ERROR 3F ESTIMATE
0.003
PARAMETERS FOR KC
LOG A B C
0.706 -0.07 52.012
STD ERROR OF ESTIMATE
0.005
-------
4-14
X 49.
CH
N20
CHN + NO
X 50.
CH
N20
CHO
N2
TrtERHOCHEMICAL DATA
THERHDCHEHICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-107.730
-107.859
-108.232
-108.652
-109.144
-109.667
-110.167
-110.622
-111.032
-111.407
-111.763
-112.114
-112.483
CP
(GIBBS/HOLE)
-0.499
-0.719
-0.768
-0.920
-1.035
-1.035
-0.959
-0.864
-0.780
-0.725
-0.702
-0.715
-0.759
S
(GIBBS/HOLE)
2.292
1.967
1.452
1.114
0.830
0.597
0.415
0.275
0.165
0.076
0.001
-0.066
-0.130
LOG KC
(C IN
HOLE/CO
79.469
47.575
23.971
16.073
12.108
9.717
8.116
0.967
6.103
5.427
4.885
4.440
..069
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-152.610
-153.171
-153.821
-154.788
-155.847
-156.967
-158.096
-159.210
-160.291
-161.374
-162.439
-163.504
-164.580
CP
(GIBBS/MOLE)
-0.972
-1.654
-1.596
-1.782
-1.998
-2.073
-2.039
-1.960
-1.875
-1.806
-1.756
-1.725
-1.703
S
(GIBBS/HOLE)
3.168
2.453
1.309
0.635
0.090
-0.368
-0.742
-1.052
-1.307
-1.524
-1.712
-1.878
-2.026
LOG KC
(C IN
MOLE/CO
112.554
67.487
33.903
22.690
17.050
13.623
11.355
9.711
0.472
7.504
e.726
6.087
5.553
PARAMETERS FOR KC
LOG A B C
1.416 -0.32 -107.730
STD ERROR OF ESTIMATE
0.005
PARAMETERS FOR KC
LOG A B C
2.559 -0.66 -152.610
STD ERROR OF ESTIMATE
0.014
X 51.
CH
N20
- CN
+ HNO
X 52.
CH
CHO
THERMOCHEH1CAL DATA
THERMOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-33.810
-34.076
-34.802
-35.578
-36.431
-37.219
-37.824
-38.227
-38.465
-38.599
-38.687
-38.773
-38.893
CP S
(GIBBS/MOLE) (GIBBS/MOLE)
-0.955 4.868
-1.483
-1.446
-1.663
-1.692
-1.418
-1.004
-0.622
-0.350
-0.203
-0.162
-0.198
-0.285
4.198
3.188
2.563
2.072
1.718
1.497
1.372
1.309
1.277
1.258
1.242
1.222
LOG KC
(C IN
MOLE/CO
25.847
15.813
8.302
5.743
4.434
3.629
3.083
2.686
2.387
2.153
1.966
1.811
1.684
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-192.559
-193.521
-194.298
-195.010
-195.712
-196.444
-197.179
-197.912
-198.638
-199.400
-200.183
-201.009
-201.888
CP
(GIBBS/MOLE)
-3.940
-2.851
-1.297
-1.133
-1.240
-1.284
-1.259
-1.221
-1.197
-1.202
-1.234
-1.289
-1.355
S
(GIBBS/MOLE)
-28.524
-30.303
-31.684
-32.156
-32.496
-32.780
-33.012
-33.204
-33.364
-33.505
-33.634
-33.754
-33.868
LOG KC
(C IN
MOLE/CC)
139.298
82.577
40.453
26.474
19.500
15.302
12.541
10.559
9.077
7.929
7.012
6.265
5.645
PARAMETERS FOR KC
LOG A B C
2.761 -0.61 -33.810
PARAMETERS FOR KC
LOG A B C
-2.505 0.29 -192.559
STO ERROR OF ESTIMATE
0.006
STD ERROR OF ESTIMATE
0.009
-------
4-15
X 53.
CH
CO
* H
X 54.
CH
02
CHO
THERHOCHEHICAL DATA
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-175.876
-175.905
-175.841
-175.888
-176.160
-176.585
-177.082
-177.613
-178.168
-178.748
-179.362
-180.016
-180.718
CP
(GIBBS/MOLE)
-0.276
-0.019
0.117
-0.332
-0.728
-0.942
-1.036
-1.087
-1.132
-1.192
-1.266
-1.356
-1.454
PARAMETERS FOR
LOG A B
-1.531 -0.04
STD ERROR OF ESTIMATE
X 55.
CH + 02
S
(GIBBS/MOLE)
-7.583
-7.662
-7.582
-7.612
-7.766
-7.955
-8.137
-8.301
-8.448
-8.584
-8.715
-8.839
-8.961
KC
C
-175.876
0.008
LOG KC
(C IN
MOLE/CO
127.262
75.213
36.772
23.962
17.553
13.698
11.122
9.275
7.888
6.805
5.934
5.221
4.625
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-73.441
-73.781
-73.504
-73.506
-73.672
-74.006
-74.463
-75.004
-75.590
-76.232
-76.891
-77.573
-78.282
CP
(GIBBS/MOLE)
-0.486
-0.120
0.365
0.093
-0.313
-0.617
-0.802
-0.901
-0.947
-0.964
-0.970
-0.976
-0.985
PARAMETERS FOR
LOG A B
-0.257 0.04
STD ERROR OF ESTIMATE
CO * HO
X 56.
THERHOCHEHICAL DATA
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-158.925
-158.941
-159.249
-159.763
-160.429
-161.210
-162.067
-162.972
-163.906
-164.856
-165.819
-166.789
-167.767
CP
(GIBBS/MOLE)
0.140
-0.282
-0.856
-1.189
-1.461
-1.651
-1.771
-1.843
-1.887
-1.916
-1.933
-1.949
-1.964
S
(GIBBS/MOLE)
-1.630
-1.663
-2.068
-2.479
-2.859
-3.208
-3.521
-3.799
-4.048
-4.272
-4.475
-4.661
-4.831
LOG KC
(C IN
MOLE/CO
116.137
69.109
34.351
22.734
16.906
13.391
11.037
9.345
8.070
7.072
6.269
3.609
5.056
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
CH + 02
S
(GIBBS/MOLE)
-0.592
-0.763
-0.638
-0.528
-0.558
-0.664
-0.793
-0.925
-1.048
-1.161
-1.263
-1.357
-1.441
KC
C
-73.441
0.010
LOG KC
(C IN
MOLE/CO
53.702
32.084
15.925
10.594
7.929
6.306
5.252
4.481
3.901
3.448
3.085
2.787
2.537
» C02 * H
THERMOCHEMICAL DATA
H
(KCAL/MOLE)
-183.954
-183.830
-182.994
-182.161
-181.556
-181.160
-180.907
-180.751
-180.660
-180.615
-180.604
-180.613
-180.637
CP
(GIBBS/MOLE)
-0.150
1.176
1.829
1.448
0.981
0.629
0.395
0.237
0.132
0.053
-0.006
-0.035
-0.057
S
(GIBBS/MOLE)
-14.261
-13.972
-12.839
-12.157
-11.806
-11.627
-11.536
-11.487
-11.462
-11.451
-11.449
-11.451
-11.455
LOG KC
(C IN
HOLE/CO
131.724
77.298
37.186
23.883
17.259
13.296
10.658
8.775
/.366
6.269
5.391
4.674
4.076
PARAMETERS FOR KC
LOG A B C
0.602 -0.32 -158.925
STD ERROR OF ESTIMATE - 0.011
PARAMETERS FOR KC
LOG A B C
-4.774 u.58 -183.954
STD ERROR OF ESTIMATE
0.002
-------
4-16
X 57.
CHN
+ H
CN
+ H
X 58.
CHN
CHO
= CH20 + CN
THERHOCHEHICAL DATA
THERMOCHEHICAL DATA
T
IDES K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MDLE)
123.800
124.339
125.082
125.370
125.426
125.459
125.590
125.846
126.203
126.620
127.062
127.503
127.930
CP
(GIBBS/MOLE)
3.366
2.149
U.959
0.266
0.032
0.140
0.388
0.626
0.789
0.870
0.888
0.870
0.836
S
(GIBBS/HOLE)
27.586
28.994
30.069
30.313
30.347
30.361
30.408
30.486
30.582
30.680
30.773
30.858
30.932
LOG KC
(C IN
HOLE/CO
-89.105
-52.623
-25.679
-16.731
-12.288
-9.644
-7.894
-6.654
-5.728
-5.012
-4.442
-3.977
-3.592
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
36.750
36.696
35.970
35.878
35.925
36.134
36.541
37.132
37.854
38.683
39.544
40.419
41.290
CP
(GIBBS/MOLE)
-1.410
-1.616
-0.677
-0.273
0.039
0.419
U.799
1.098
1.283
1.364
1.372
1.336
1.274
S
(GIBBS/HOLE)
-1.210
-2.051
-2.859
-3.045
-3.083
-3.034
-2.923
-2.776
-2.617
-2.460
-2.315
-2.184
-2.072
LOG KC
(C IN
HOLE/CO
-27.201
-16.488
-8.486
-5.893
-4.600
-3.803
-3.300
-2.925
-2.641
-2.417
-2.234
-2.085
-1.958
PARAMETERS FOR KC
LOG A B C
2.987 -0.53 123.800
STD ERROR OF ESTIMATE
0.012
PARAMETERS FOR KC
LOG A B C
0.555 -0.34 36.750
OF ESTIMATE
0.015
X 59.
CHN
CH2
CH3
CN
X 60.
CHN + CH20
CH30 + CN
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
14.170
13.989
13.608
13.166
12.898
12.812
12.943
13.270
13.741
14.304
14.914
15.541
16.172
CP S
(GIBBS/MOLE) (GIBBS/MOLE)
-0.623 0.251
-1.006
-0.811
-0.665
-0.375
0.043
0.470
0.817
1.052
1.185
1.244
1.261
1.258
-0.203
-0.839
-1.141
-1.298
-1.338
-1.291
-1.191
-1.065
-0.933
-0.804
-0.685
-0.575
LOG KC
(C IN
MOLE/CO
-10.332
-6.158
-3.142
-2.168
-1.694
-1.413
-1.225
-1.089
-0.985
-0.899
-0.828
-0.768
-0.715
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
100.650
100.420
100.098
99.964
99.943
100.091
100.449
101.003
101.704
102.499
103.340
104.197
105.054
CP
(GIBBS/MOLE)
-1.100
-1.023
-0.386
-0.165
0.104
0.501
0.924
1.274
1.514
1.649
1.706
1.718
1.707
S
(GIBBS/MOLE)
1.185
0.594
0.122
0.010
-0.003
0.060
0.190
0.360
0.547
0.734
0.912
1.075
1.225
LOG KC
(C IN
HOLE/CO
-73.521
-43.763
-21.851
-14.562
-10.922
-8.737
-7.277
-6.229
-5.438
-4.818
-4.319
-3.918
-3.668
PARAMETERS FOR KC
LOG A B C
0.895 -0.31 14.170
PARAMETERS FOR KC
LOG A B C
0.731 -0.19 100.650
STD ERROR OF ESTIMATE
0.003
STO ERROR OF ESTIMATE
0.006
-------
4-17
X 61.
CHN + CH3
CH4
CN
X 62.
CHN + CO
CHO
CN
THERHOCHEHICAL DATA
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
18.985
18.455
17.615
17.330
17.274
17.418
17.781
18.342
19.051
19.852
20.700
21.562
22.422
CP
(GIBBS/HOLE)
-2.332
-2.558
-0.939
-0.303
0.078
0.506
0.937
1.290
1.528
1.662
1.717
1.727
1.712
S
(GIBBS/HOLE)
-1.697
-3.050
-4.282
-4.522
-4.556
-4.495
-4.363
-4.191
-4.002
-3.814
-3.635
-3.469
-3.320
LOG KC
(C IN
HOLE/CO
-14.288
-8.733
-4.786
-3.513
-2.883
-2.505
-2.249
-2.061
-1.916
-1.798
-1.699
-1.615
-1.542
T
(JEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
107.117
106.723
106.625
106.248
105.874
105.600
105.493
105.547
105.733
105.968
106.241
106.510
106.760
CP
(GIBBS/HOLE)
-0.298
-0.683
-0.455
-0.535
-0.480
-0.202
0.165
0.492
0.724
0.860
0.920
0.937
u.935
S
(GIBBS/MOLE)
0.645
6.353
5.967
5.769
5.617
5.536
5.533
5.583
3.666
5.759
3.854
5.943
6.025
LOG KC
(C IN
MOLE/CC)
-77.069
-45.259
-21.998
-14.219
-10.341
-8.040
-6.475
-5.370
-4.539
-3.888
-3.364
-2.933
-2.572
PARAMETERS FOR KC
LOG A B C
0.806 -0.48 18.985
STD ERROR OF ESTIMATE
0.015
PARAMETERS FOR KC
LOG A B C
2.013 -0.19 107.117
STD ERROR DF ESTIMATE
0.010
X 63.
CHN * H
CH2
X 64.
CHM + H
CN
H2
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6003
H
(KCAL/MOLE)
120.915
120.773
120.140
119.694
119.220
118.755
118.295
117.855
117.463
117.145
116.924
116.817
116.843
CP
(GIBBS/MOLE)
-0.301
-0.972
-1.113
-0.972
-0.937
-0.934
-0.911
-0.846
-0.729
-0.562
-0.350
-0.109
0.150
S
(GIBBS/MOLE)
7.334
0.986
6.212
5.790
5.518
5.308
5.141
5.003
4.897
4.821
4.773
t.750
4.752
LOG KC
(C IN
HOLE/CO
-87.027
-51.261
-24.913
-16.173
-11.821
-9.219
-7.493
-6.264
-5.346
-4.634
-4.065
-3.601
-3.214
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE 1
19.600
19.539
18.852
17.896
16.966
16.229
15.754
15.534
15.537
15.712
16.012
16.403
16.870
CP
(GIBBS/MOLE)
0.322
-0.794
-1.758
-1.950
-1.709
-1.221
-0.689
-0.200
0.195
0.489
0.700
0.864
1.000
S
(GIBBS/MOLE)
4.010
1. 878
2.963
2.191
1.655
1.322
1.149
1.080
1.080
1.120
1.184
1.259
1.340
LOG KC
(C IN
HOLE/CO
-13.493
-7.694
-3.473
-2.129
-1.493
-1.130
-0.897
-0.734
-0.614
-0.519
-0.441
-0.377
-0.322
PARAMETERS FOR KC
L3G A B C
2.764 -0.41 120.915
STD ERROR 3F ESTIMATE
0.002
PARAMETERS FOR KC
LOG A B C
2.592 -0.59 19.600
STO ERROR 3F ESTIMATE
0.010
-------
4-18
X 65.
CHN » HN
CH2
N2
X 66.
CHN -I- HNO
CH2
N20
THERMOCHEHICAL DATA
THERMOCHEHICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLEI
-29.962
-30.098
-30.610
-30.897
-31.274
-31.710
-32.204
-32.748
-33.330
-33.945
-34.591
-35.262
-35.948
CP
(GIBBS/HOLE)
-0.306
-0.897
-0.769
-0.706
-0.811
-0.935
-1.040
-1.125
-1.199
-1.265
-1.318
-1.359
-1.381
S
(GIBBS/MOLE)
0.589
0.251
-0.367
-0.658
-0.872
-1.068
-1.247
-1.416
-1.570
-1.715
-1.851
-1.978
-2.098
LOG KC
(C IN
HOLE/CO
22.092
13.211
0.594
4.358
3.227
2.539
2.074
1.735
1.478
1.273
1.107
0.969
0.850
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HQLE)
55.860
55.994
56.210
56.541
56.750
56.906
57.019
57*103
57.167
57.216
57.253
57.280
57.307
CP
(GIBBS/HOLE)
0.650
0.639
0.546
0.478
U.361
0.263
0.195
0.147
0.111
0.083
0.064
0.053
0.054
S
(GIBBS/HOLE)
-2.071
-1.726
-1.326
-1.115
-0.992
-0.923
-0.881
-0.856
-0.839
-0.827
-0.819
-0.813
-0.809
LOG KC
(C IN
HOLE/CO
-41.399
-24.853
-12.590
-8.481
-6.418
-5.176
-4.346
-3.753
-3.307
-2.960
-2.682
-2.453
-2.265
PARAMETERS FOR KC
LOG A B C
1.013 -0.32 -29.962
STO ERROR 3F ESTIMATE
0.002
PARAMETERS FOR KC
LOG A B C
-1.040 0.22 55.860
STD ERROR OF ESTIMATE
0.000
X 67.
CHN
HNO
CH20 + N2
X 68.
CHN
HO
= CHO + HN
THERMOCHEMICAL DATA
THERMOCHEHICAL DATA
T
(DES K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-82.050
-82.399
-83.049
-83.332
-83.491
-83.614
-83.731
-83.851
-83.972
-84.092
-84.208
-84.312
-84.397
CP S
(GIBBS/MOLE) (GIBBS/MOLE)
-1.427 -2.910
-1.787
-0.827
-0.392
-0.267
-0.236
-0.236
-0.240
-0.242
-0.239
-0.222
-0.191
-0.144
-3.796
-4.738
-4.973
-5.065
-5.120
-5.162
-5.200
-5.233
-5.261
-5.285
-5.304
-5.320
LOG KC
(C IN
HOLE/CO
59.506
35.186
17.115
11.054
8.016
0.191
4.972
t.100
3.444
2.934
2.526
2.191
1.911
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
57.220
56.798
56.694
56.369
55.994
55.555
55.063
54.531
53.977
53.380
52.781
52.170
51.559
CP
(GIBBS/MOLE)
-0.502
-0.778
-0.381
-0.443
-0.617
-0.746
-0.819
-0.856
-0.866
-0.859
-0.841
-0.809
-0.762
S
(GIBBS/HOLE)
4.865
4.501
4.099
3.944
3.792
3.638
3.497
3.366
3.251
3.150
3.060
2.981
2.914
LOG KC
(C IN
MOLE/CC)
-40.884
-23.843
-11.495
-7.351
-5.290
-4.079
-3.247
-2.669
-2.239
-1.904
-1.638
-1.421
-1.241
PARAMETERS FOR KC
LOG A B C
0.354 -0.39 -82.050
PARAMETERS FOR KC
LOG A B C
1.626 -0.20 57.220
STD ERROR OF ESTIMATE
0.008
STD ERROR OF ESTIMATE
0.009
-------
4-19
X 69.
CHN -I- HO
CH2
NO
X 70.
CHN + HO
CH20
THERHOCHEHICAL DATA
THERMOCHEHICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
IKCAL/HOLE)
72.138
72.012
71.673
71.608
71.423
71.145
70.788
70.371
69.906
69.402
68.866
68.298
67.708
CP
(GIBBS/MOLE)
-0.335
-0.740
-0.322
-0.287
-0.465
-0.643
-0.779
-0.885
-0.970
-1.043
-1.105
-1.158
-1.199
S
(GIBBS/HOLE)
4.578
4.266
3.875
3.765
3.660
3.535
3.407
3.277
3.153
3.035
2.922
2.815
2.712
LOG KC
(C IN
HOLE/CO
-51.877
-30.544
-14.833
-9.610
-7.005
-5.446
-4.412
-3.678
-3.130
-2.708
-2.372
-2.099
-1.875
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
45.223
44.806
44.606
44.978
45.423
45.821
46.163
46.466
46.763
47.087
47.468
47.929
48.486
CP
(GIBBS/HOLE)
-2.308
-1.601
0.448
U.890
0.853
0.732
0.630
0.582
0.601
0.682
0.817
0.989
1.180
S
(GIBBS/MOLE)
-3.218
-4.299
-4.661
-4.364
-4.110
-3.932
-3.807
-3.716
-3.638
-3.562
-3.484
-3.398
-3.304
LOG KC
(C IN
HOLE/CO
-33.849
-20.521
-10.765
-7.506
-5.861
-4.862
-4.193
-3.711
-3.348
-3.063
-2.833
-2.645
-2.485
PARAMETERS FOR KC
LOG A B C
1.497 -0.18 72.138
STD ERROR OF ESTIMATE
0.001
PARAMETERS FOR KC
L3G A B C
-0.790 -0.03 45.223
STO ERROR OF ESTIMATE
0.016
X 71.
CHN + HO
- CN + H20
X 72.
CHN
H02
= CHO + HNO
THERMOCHEMICAL DATA
THERMOCHEHICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6003
H
(KCAL/MOLE)
4.410
4.168
3.411
2.699
2.105
1.714
1.567
1.644
1.889
2.240
2.650
3.081
3.519
CP
(GIBBS/MOLE)
-0.744
-1.459
-1.490
-1.336
-1.008
-0.541
-0.056
0.342
0.617
u.776
0.847
0.874
0.879
S
(GIBBS/HOLE)
1.419
0.816
-0.234
-0.813
-1.158
-1.335
-1.388
-1.367
-1.301
-1.218
-1.132
-1.049
-0.973
LOG KC
(C IN
MOLE/CC)
-2.924
-1.644
-0.797
-0.571
-0.484
-0.441
-0.418
-0.402
-0.388
-0.376
-0.363
-0.352
-0.341
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-4.500
-4.919
-5.063
-5.408
-5.803
-6.268
-6.793
-7.366
-7.967
-8.615
-9.272
-9.943
-10.617
CP
(GIBBS/MOLE)
-0.360
-0.854
-0.431
-0.479
-0.662
-0.805
-0.893
-0.943
-0.965
-0.969
-0.960
-0.933
-0.889
S
(GIBBS/HOLE)
3.799
3.444
2.986
2.815
2.653
, 2.487
2.333
2.190
2.064
1.950
1.848
1.757
1.679
LOG KC
(C IN
MOLE/CC)
4.126
2.904
1.759
1.403
1.214
1.073
1.006
0.939
0.886
0.844
0.809
0.779
0.754
PARAMETERS FOR KC
LOG A B C
1.837 -0.55 1.410
STO ERROR OF ESTIMATE
0.002
PARAMETERS FOR KC
LOG A B C
1.441 -0.22 -4.500
STD ERROR OF ESTIMATE
0.010
-------
4-20
X 73.
CHN + H02
= CH2 + N02
CHN
H02
CH20 + NO
THERMOCHEMICAl DATA
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
62.960
62.957
62.850
62.896
62.777
62.561
62.269
61.927
61.549
61.144
60.719
60.280
59.834
CP
(GIBBS/MOLE)
0.198
-0.124
-0.010
-0.129
-0.343
-0.518
-0.639
-0.724
-0.785
-0.832
-0.866
-0.887
-0.894
S
(GIBBS/HOLE)
1.072
1.072
1.015
0.997
0.932
0.834
0.729
0.623
0.523
0.428
0.338
0.255
0.178
LOG KC
(C IN
HOLE/CO
-45.916
-27.284
-13.530
-8.945
-6.656
-5.286
-4.376
-3.731
-3.249
-2.877
-2.580
-2.340
-2.141
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-41.670
-42.006
-42.523
-42.604
-42.591
-42.582
-42.595
-42,629
-42.680
-42.740
-42.804
-42.865
-42.917
CP
(GIBBS/MOLE)
-1.314
-1.706
-0.430
-0.009
0.034
-0.003
-0.049
-0.087
-0.112
-0.127
-0.128
-0.114
-0.089
S
(GIBBS/HOLE)
0.013
-0.838
-1.609
-1.679
-1.672
-1.668
-1.672
-1.683
-1.697
-1.711
-1.724
-1.735
-1.745
LOG KC
(C IN
HOLE/CO
30.547
18.178
8.942
5.840
4.288
3.358
2.739
2.295
1.961
1.701
1.494
1.323
1.181
PARAMETERS FOR KC
LOG A B C
0.355 -0.04 62.960
STD ERROR OF ESTIMATE
0.003
PARAMETERS FOR KC
LOG A B C
0.653 -0.27 -41.670
STD ERROR OF ESTIMATE
0.010
X 75.
CHN + H2
CH2
HN
X 76.
CHN + H2
« CHS + N
THERMOCHEHICAL DATA
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
150.062
149.922
149.346
149.067
148.750
148.394
147.982
147.518
146.994
146.409
145.769
145.074
144.336
CP S
(GIBBS/MOLE) (GIBBS/HOLE)
-0.227 10.197
-0.971
-0.861
-0.628
-0.659
-0.772
-0.872
-0.986
-1.108
-1.228
-1.336
-1.435
-1.518
9.857
9.150
0.862
8.682
S.522
8.373
8.229
8.089
7.953
7.818
7.686
7.558
LOG KC
1C IN
MOLE/CO
-107.770
-63.377
-30.656
-19.782
-14.357
-11.109
-8.950
-7.413
-6.264
-5.373
-4.663
-4.085
-3.606
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
115.485
115.223
114.896
114.964
115.152
115.338
115.484
115.591
115.667
115.737
115.826
115.955
116.145
CP
(GIBBS/MOLE)
-1.246
-1.184
-0.166
U.313
0.397
0.330
0.248
0.171
0.128
0.134
0.194
0.288
0.408
S
(GIBBS/MOLE)
3.575
2.905
2.410
2.458
2.565
2.648
2.701
2.732
2.752
2.768
2.785
2.806
2.837
LOG KC
(C IN
MOLE/CO
-83.866
-49.725
-24.582
-16.212
-12.022
-9.502
-7.821
-6.619
-5.717
-5.014
-4.452
-3.992
-3.607
PARAMETERS FOR KC
LOG A B C
3.144 -0.33 150.062
STD ERROR OF ESTIMATE
0.000
PARAMETERS FOR KC
LOG A B C
1.066 -0.13 115.485
STD ERROR OF ESTIMATE
0.010
-------
4-21
X 77.
CHN + H20
' CH2 + HNO
X 78.
CHN + H20
CH20 + HN
THERHOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
SOOO
5500
6000
H
(KCAL/HOLE)
141.648
141.627
141.692
141.983
142.031
141.879
141.564
141.122
140.584
139.970
139.292
138.558
137.779
CP
(GIBBS/HOLE)
-0.047
-0.045
0.490
0.306
-0.114
-0.485
-0.768
-0.985
-1.157
-1.297
-1.412
-1.515
-1.604
S
(GIBBS/HOLE)
5.735
5.681
5.845
6.027
6.060
5.991
5.877
5.741
5.598
5.454
5.311
5.172
5.037
LOG KC
1C IN
HOLE/CO
-102.575
-60.662
-29.705
-19.369
-14.195
-11.093
-9.027
-7.557
-6.458
-5.606
-4.928
-4.376
-3.919
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
89.560
89.326
89.253
89.548
89.814
89.975
90.037
90.019
89.942
89.823
89.675
89.508
89.330
CP
(GIBBS/HOLE)
-1.168
-0.935
0.432
0.620
0.430
U.214
0.036
-0.100
-0.200
-0.271
-0.316
-0.347
-0.367
S
(GIBBS/HOLE)
2.236
1.634
1.474
1.712
1.867
1.939
1.962
1.957
1.935
1.908
1.877
1.846
1.815
LOG KC
(C IN
HOLE/CO
-65.161
-38.687
-19.184
-12.673
-9.406
-7.441
-6.129
-5.192
-4.492
-3.945
-3.509
-3.154
-2.858
PARAMETERS FOR KC
LOG A B C
1.004 0.08 141.648
STD ERROR OF ESTIMATE - 0.002
PARAMETERS FOR KC
LOG A B C
0.344 0.01 89.560
STD ERROR OF ESTIMATE
0.008
X 79.
CHN + H20
CH3 * NO
X 80.
CHN + H20
CH30 + N
THERMOCHEMICAL DATA
THERMOCHEHICAL DATA
T
(DEG K)
296
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
61.898
81.833
81.870
82.075
82.216
82.243
82.164
81.997
81.758
81.466
81.130
80.758
80.361
CP
(GIBBS/HOLE)
-0.214
-0.287
0.357
0.384
0.166
-0.059
-0.253
-0.410
-0.535
-0.634
-0.708
-0.771
-0.820
S
(GIBBS/HOLE)
3.410
3.247
3.270
3.437
3.520
3.532
3.504
3.453
3.389
3.320
3.250
3.179
3.110
LOG KC
(C IN
MOLE/CO
-59.285
-35.058
-17.178
-11.207
-8.215
-6.418
-5.219
-4.365
-3.727
-3.231
-2.837
-2.515
-2.249
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
141.463
141.058
141.293
142.243
143.261
144.198
145.045
145.825
146.578
147.346
148.158
149.045
150.021
CP
(GIBBS/HOLE)
-2.664
-1.165
1.552
2.061
1.965
1.774
1.610
1.514
1.498
1.555
1.676
1.833
2.008
S
(GIBBS/MOLE)
-3.452
-4.521
-4.305
-3.541
-2.955
-2.537
-2.229
-1.989
-1.790
-1.610
-1.440
-1.274
-1.106
LOG KC
(C IN
HOLE/CO
-104.446
-62.640
-31.819
-21.497
-16.299
-13.158
-11.052
-9.538
-8.398
-7.505
-6.789
-6.211
-5.812
PARAMETERS FOR KC
LOG A B C
0.555 0.05 81.898
STD ERROR OF ESTIMATE > 0.002
PARAHETERS FOR KC
LOG AS C
-1.896 0.32 141.463
STO ERROR OF ESTIMATE 0.022
-------
4-22
X 81.
CHN + N
CN
HN
X 82.
CHN * NO
CHO
N2
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLEI
48.747
48.688
48.058
47.269
46.496
45.868
45.441
45.197
45.068
44.976
44.857
44.660
44.363
CP
(GIBBS/HOLE)
0.396
-0.793
-1.506
-1.606
-1.431
-1.059
-0.650
-0.340
-0.184
-0.177
-0.286
-0.462
-0.668
PARAMETERS FOR
LOG A 8
2.972 -0.50
STD ERROR OF ESTIMATE
X 83.
CHN + NO
- CN
S
(GIBBS/HOLE)
0.873
6.749
5.901
5.263
4.819
4.536
4.381
4.306
H.272
4.252
4.229
1.195
4.146
KC
C
48.747
0.008
+ HNO
LOG KC
(C IN
HOLE/CO
-34.236
-19.810
-9.216
-5.738
-4.029
-3.020
-2.354
-1.883
-1.532
-1.258
-1.039
-0.861
-0.714
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-44.880
-45.312
-45.589
-46.136
-46.703
-47.300
-47.929
-48.588
-49.259
-49.967
-50.676
-51.390
-52.097
CP
(GIBBS/MOLE)
-0.473
-0.935
-0.828
-0.862
-0.963
-1.038
-1.080
-1.096
-1.095
-1.081
-1.054
-1.010
-0.944
PARAMETERS FOR
LOG A B
1.142 -0.33
STD ERROR OF ESTIMATE
X 84.
THERMOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
73.920
73.783
73.430
73.074
72.713
72.448
72.343
72.395
72.567
72.808
73.076
73.341
73.590
CP
(GIBBS/HOLE)
-0.456
-0.764
-0.678
-0.743
-0.657
-0.383
-0.045
0.242
0.430
0.522
0.540
0.517
0.474
S
(GIBBS/MOLE)
2.576
2.231
1.736
1.449
1.242
1.121
1.082
1.097
1.144
1.201
1.257
1.308
1.352
LOG KC
(C IN
MOLE/CC)
-53.622
-31.762
-15.669
-10.330
-7.674
-6.088
-5.033
-4.281
-3.716
-3.274
-2.919
-2.629
-2.385
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
CHN + N02
S
(GIBBS/MOLE)
0.876
0.486
-0.143
-0.479
-0.740
-0.965
-1.157
-1.327
-1.472
-1.600
-1.713
-1.812
-1.896
KC
C
-44.880
0.010
LOG KC
(C IN
MOLE/CC)
33.085
19.912
y.932
6.617
4.942
3.906
3.239
2.744
2.369
2.077
1.841
1.647
1.484
* CHO + N20
THERMOCHEMICAL DATA
H
(KCAL/MOLE)
-11.600
-11.882
-11.703
-11.763
-11.830
-11.923
-12.043
-12.190
-12.349
-12.543
-12.738
-12.943
-13.144
CP
(GIBBS/MOLE)
0.092
-0.091
0.125
0.128
0.042
-0.024
-0.059
-0.072
-0.069
-0.054
-0.030
0.007
0.059
S
(GIBBS/MOLE)
0.656
0.646
0.645
0.703
0.729
0.730
0.723
0.711
0.702
0.695
0.691
0.689
0.692
LOG KC
(C IN
MOLE/CC)
8.643
5.335
2.699
1.867
1.452
1.183
1.036
0.917
0.828
0.761
0.707
0.666
0.630
PARAMETERS FOR KC
LOG A B C
1.344 -0.28 73.920
STD ERROR OF ESTIMATE
0.001
PARAMETERS FOR KC
LOG A B C
0.045 0.04 -11.600
STD ERROR OF ESTIMATE 0.009
-------
4-23
A 85.
CHN * 0
CHO + N
X 86.
CHN + 0
-- CN
HO
THERHOCHEHICAL DATA
THERHOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
30.106
29.673
29.516
29.091
28.615
28.083
27.511
26.913
26.326
25.748
25.237
24.804
24.471
CP
(GIBBS/MOLE)
-0.570
-0.830
-0.551
-0.654
-0.814
-0.923
-0.973
-0.966
-0.898
-0.774
-0.598
-0.383
-0.138
S
(GIBBS/HOLE)
3.599
3.205
2.735
2.499
2.289
2.094
1.921
1.769
1.645
1.546
1.473
1.425
1.403
LOG KC
(C IN
HOLE/CO
-21.282
-12.267
-5.851
-3.692
-2.625
-2.014
-1.583
-1.292
-1.077
-0.910
-0.779
-0.671
-0.580
T
(DEG Kl
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
21.633
21.563
20.880
19.991
19.117
18.396
17.889
17.579
17.417
17.344
17.313
17.294
17.275
CP
(GIBBS/HOLE)
0.328
-0.845
-1.676
-1.817
-1.628
-1.236
-0.804
-0.450
-0.216
-0.092
-0.043
-0.036
-0.044
S
(GIBBS/HOLE)
5.607
3.453
4.537
3.818
3.316
2.992
2.805
2.709
2.666
2.648
2.642
2.639
2.635
LOG KC
(C IN
HOLE/CO
-14.634
-8.234
-3.572
-2.079
-1.364
-0.955
-0.690
-0.506
-0.370
-0.264
-0.180
-0.111
-0.053
PARAMETERS FOR KC
LOG A B C
1.526 -0.26 30.106
STO ERROR OF ESTIMATE - 0.010
PARAMETERS FOR KC
LOG A B C
2.872 -0.56 21.633
STO ERROR OF ESTIMATE
0.009
X 87.
CHN + 0
CO
+ HN
X 88.
CHN
02
- CHO * NO
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-28.264
-28.362
-29.051
-29.888
-30.763
-31.649
-32.541
-33.437
-34.339
-35.244
-36.147
-37.046
-37.926
CP
(GIBBS/MOLE)
0.124
-0.940
-1.602
-1.725
-1.765
-1.780
-1.788
-1.798
-1.806
-1.811
-1.804
-1.782
-1.741
S
(GIBBS/HOLE)
3.827
3.601
2.669
1.993
1.491
1.094
0.769
0.492
0.251
0.039
-0.152
-0.323
-0.476
LOG KC
(C IN
MOLE/CO
21.551
13.182
6.931
4.789
3.687
3.006
2.538
2.195
1.930
1.720
1.546
1.401
1.278
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-1.720
-2.124
-2.359
-2.870
-3.451
-4.152
-4.981
-5.930
-6.969
-8.103
-9.278
-10.488
-11.713
CP
(GIBBS/HOLE)
-0.188
-0.861
-0.733
-0.826
-1.075
-1.341
-1.576
-1.761
-1.894
-1.979
-2.020
-2.025
-1.997
S
(GIBBS/MOLE)
6.796
0.484
5.912
5.607
5.338
5.068
4.803
4.545
t.301
4.072
3.862
3.668
3.493
LOG KC
(C IN
HOLE/CO
2.743
2.346
1.808
1.643
1.544
1.452
1.413
1.364
1.321
1.283
1.249
1.219
1.190
PARAMETERS FOR KC
LOG A B C
2.485 -0.57 -28.264
STO ERROR OF ESTIMATE
0.010
PARAMETERS FOR KC
LOG A B C
2.391 -0.31 -1.720
STD ERROR OF ESTIMATE 3 0.011
-------
4-24
X 89.
CHN
02
CN
H02
X 90.
CHN
02
CO
HNO
THERMOCHEHICAL DATA
THERHOCHEHICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
76.700
76.578
76.134
75.612
75.065
74.564
74.155
73.831
73.565
73.320
73.070
72.796
72.494
CP
(GIBBS/HOLE)
-0.284
-0.771
-0.980
-1.090
-1.070
-0.919
-0.728
-0.576
-0.499
-0.488
-0.520
-0.575
-0.634
S
(GIBBS/HOLE)
5.573
5.271
4.662
4.241
3.927
3.702
3.552
3.452
3.381
3.323
3.271
3.219
3.166
LOG KC
(C IN
HOLE/CO
-55.005
-32.320
-15.620
-10.090
-7.344
-5.709
-4.626
-3.856
-3.281
-2.835
-2.479
-2.189
-1.949
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-34.917
-35.064
-35.554
-36.044
-36.612
-37.304
-38.131
-39.082
-40.135
-41.263
-42.443
-43.657
-44.883
CP
(GIBBS/HOLE)
-0.346
-0.942
-0.956
-1.034
-1.252
-1.522
-1.786
-2.011
-2.188
-2.317
-2.400
-2.445
-2.458
S
(GIBBS/HOLE)
*.727
2.362
1.681
1.287
0.963
0.653
0.352
0.059
-0.221
-0.486
-0.735
-0.967
-1.180
LOG KC
(C IN
MOLE/CO
26.190
15.843
8.137
5.532
4.211
3.404
2.855
2.453
2.144
1.897
1.694
1.523
1.377
PARAMETERS FOR KC
LOG A B C
2.294 -0.38 76.700
STD ERROR OF ESTIMATE
0.005
PARAMETERS FOR KC
LOG A B C
1.723 -0.40 -34.917
STD ERROR 3F ESTIMATE
0.006
X 91.
CHN
02
C02 + HN
X 92.
CHO
+ M
CO
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-36.342
-36.287
-36.204
-36.161
-36.159
-36.224
-36.366
-36.575
-36.831
-37.111
-37.389
-37.643
-37.845
CP S
(GIBBS/MOLE) (GIBBS/MOLE)
0.250 -2.851
0.255
0.110
0.055
-0.056
-0.209
-0.357
-0.474
-0.542
-0.566
-0.544
-0.461
-0.344
-2.709
-2.588
-2.552
-2.549
-2.578
-2.630
-2.694
-2.763
-2.828
-2.886
-2.935
-2.970
LOG KC
(C IN
MOLE/CO
26.013
15.267
7.345
4.710
3.393
2.604
2.074
1.695
1.408
1.184
1.003
0.854
0.729
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(RIAL/MOLE)
16.683
17.616
18.457
19.122
19.552
19.859
20.097
20.299
20.470
20.652
20.821
20.993
21.170
CP
(GIBBS/MOLE)
3.664
2.832
1.414
0.801
0.512
0.342
0.223
0.134
0.065
0.010
-0.032
-0.067
-0.099
S
(GIBBS/MOLE)
20.941
22.641
24.102
24.544
24.730
24.825
24.875
24.903
24.916
24.921
24.919
24.915
24.907
LOG KC
(C IN
MOLE/CO
-12.036
-7.364
-3.681
-2.512
-1.947
-1.604
-1.419
-1.284
-1.189
-1.124
-1.078
-1.044
-1.020
PARAMETERS FOR KC
LOG A B C
-0.757 0.05 -36.342
PARAMETERS FOR KC
LOG A B C
0.974 -0.33 16.683
STD ERROR OF ESTIMATE =
0.002
STD ERROR OF ESTIMATE = 0.014
-------
4-25
X 93.
CHO + CHO
CH2
C02
X 94.
CHO + CHO
CH20 + CO
THERHOCHEHICAL DATA
THERMOCHEMICAL DATA
T
(DE6 K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-19.704
-18.949
-18.866
-18.052
-17.279
-16.482
-15.660
-14.805
-13.933
-12.986
-12.026
-11.027
-9.983
CP
(GIBBS/HOLE)
0.605
1.154
0.902
1.037
1.171
1.235
1.259
1.258
1.248
1.229
1.212
1.215
1.216
S
(GIBBS/HOLE)
-9.934
-9.428
-8.724
-8.338
-8.019
-7.749
-7.523
-7.328
-7.162
-7.015
-6.886
-6.769
-6.665
LOG KC
1C IN
HOLE/CO
12.277
6.220
2.199
0.808
0.134
-0.215
-0.504
-0.678
-0.804
-0.903
-0.980
-1.043
-1.095
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-70.367
-70.027
-70.655
-70.370
-69.949
-69.466
-68.952
-68.415
-67.879
-67.285
-66.697
-66.091
-65.470
CP
(GIBBS/HOLE)
-1.112
-0.933
-0.222
0.262
0.519
0.621
0.634
0.606
0.559
0.504
0.452
0.399
U.339
S
(GIBBS/MOLE)
-7.855
-8.404
-8.826
-8.814
-8.700
-8.570
-8.456
-8.359
-8.283
-8.219
-8.169
-8.127
-8.097
LOG KC
(C IN
HOLE/CO
49.868
28.771
13.512
8.326
3.741
4.237
3.175
2.445
1.898
i.471
1.130
0.848
0.614
PARAMETERS FOR KC
LOG A B C
-3.278 0.38 -19.704
STO ERROR OF ESTIMATE
0.021
PARAMETERS FOR KC
LOG A B C
-1.457 -0.14 -70.367
STD ERROR OF ESTIMATE
0.024
X 95.
CHO
CH2
CH3
CO
X 96.
CHO + CH20
CH3 + C02
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-92.947
-92.734
-93.017
-93.082
-92.976
-92.788
-92.550
-92.277
-91.992
-91.664
-91.327
-90.969
-90.588
CP
(GIBBS/MOLE)
-0.325
-0.323
-0.356
-0.130
0.105
0.245
0.305
0.325
0.328
0.325
0.324
0.324
0.323
S
(GIBBS/MOLE)
-6.394
-6.556
-6.806
-6.910
-6.915
-6.874
-6.824
-6.774
-6.731
-6.692
-6.658
-6.628
-6.600
LOG KC
1C IN
MOLE/CO
66.737
39.101
18.856
12.051
8.647
6.627
5.250
4.281
3.554
2.989
2.536
2.165
1.857
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-42.284
-41.656
-41.228
-40.764
-40.306
-39.804
-39.258
-38.667
-38.046
-37.365
-36.656
-35.905
-35.101
CP
(GIBBS/MOLE)
1.392
1.764
0.768
0.645
0.757
0.859
0.930
0.977
1.017
1.050
1.084
1.140
1.200
S
(GIBBS/MOLE)
-8.473
-7.580
-6.704
-6.434
-6.234
-6.053
-5.891
-5.743
-5.610
-5.488
-5.375
-5.270
-5.168
LOG KC
(C IN
HOLE/CO
29.146
16.550
7.543
4.533
3.040
2.175
1.571
1.158
0.852
0.615
0.426
0.274
0.148
PARAMETERS FOR KC
LOG A B C
-1.117 -0.11 -92.947
STD ERROR 3F ESTIMATE
0.010
PARAMETERS FOR KC
LOG A B C
-2.939 0.41 -42.284
STD ERROR OF ESTIMATE - 0.009
-------
4-26
X 97.
CHO + CH20
CH30
CO
X 98.
CHO + CH3
CH2
CH20
THERMOCHEMICAL DATA
THERHOCHEM1CAL DATA
T
(DES K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-6.467
-6.303
-6.527
-6.284
-5.931
-5.509
-5.044
-4.544
-4.029
-3.469
-2.901
-2.313
-1.706
CP
(GIBBS/HOLE)
-0.802
-0.340
0.069
0.370
0.584
0.703
0.759
0.782
0.790
0.789
0.786
0.781
0.772
S
(GIBBS/HOLE)
-5.460
-5.759
-5.845
-5.759
-5.620
-5.476
-5.343
-5.223
-5.119
-5.025
-4.942
-4.868
-4.800
LOG KC
(C IN
HOLE/CO
3.548
1.496
0.147
-0.343
-0.581
-0.697
-0.802
-0.859
-0.899
-0.930
-0.955
-0.985
-1.096
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
22.580
22.707
22.362
22.712
23.027
23.322
23.598
23.-B62
24.113
24.379
24.630
24.878
25.118
CP
(GIBBS/HOLE)
-0.787
-0.610
0.134
0.392
0.414
0.376
0.329
0.281
0.231
u.179
0.128
0.075
0.016
S
(GIBBS/HOLE)
-1.461
-1.848
-2.020
-1.904
-1.785
-1.696
-1.632
-1.585
-1.552
-1.527
-1.511
-1.499
-1.497
LOG KC
(C IN
HOLE/CO
-16.869
-10.330
-5.344
-3.725
-2.906
-2.390
-2.075
-1.836
-1.656
-1.518
-1.406
-1.317
-1.243
PARAMETERS FOR KC
LOG A B C
-1.281 0.00 -6.467
STO ERROR OF ESTIMATE
0.012
PARAMETERS FOR KC
LOG A B C
-0.339 -0.02 22.580
STD ERROR OF ESTIMATE
0.013
X 99.
CHO
CH3
CH4 + CO
X100.
CHO
CH30
CH20 + CH20
THERMOCHEHICAL DATA
THERMOCHEMICAL DATA
T
OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-88.132
-88.268
-89.010
-88.918
-88.600
-88.182
-87.712
-87.205
-86.682
-86.116
-85.541
-84.948
-84.338
CP
(GIBBS/MOLE)
-2.034
-1.875
-0.484
0.232
0.558
0.708
0.772
0.798
0.804
0.802
0.797
0.790
0.777
S
(GIBBS/MOLE)
-8.342
-9.403
-10.249
-10.291
-10.173
-10.031
-9.896
-9.774
-9.668
-9.573
-9.489
-9.412
-9.345
LOG KC
(C IN
MOLE/CO
62.781
36.526
17.212
10.706
7.458
5.535
4.226
3.309
2.623
2.090
1.665
1.318
1.030
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-63.900
-63.724
-64.128
-64.086
-64.018
-63.956
-63.908
-63.871
-63.850
-63.816
-63.796
-63.778
-63.764
CP
(GIBBS/MOLE)
-0.310
-0.593
-0.291
-0.108
-0.065
-0.082
-0.125
-0.176
-0.231
-0.285
-0.334
-0.382
-0.433
S
(GIBBS/MOLE)
-2.395
-2.645
-2.981
-3.055
-3.080
-3.094
-3.113
-3.136.
-3.164
-3.194
-3.227
-3.259
-3.297
LOG KC
(C IN
HOLE/CO
46.320
27.275
13.365
8.669
6.322
4.934
3.977
3.304
2.797
2.401
2.085
1.833
1.710
PARAMETERS FOR KC
LOG A B C
-1.206 -0.28 -88.132
STD ERROR OF ESTIMATE = 0.020
PARAMETERS FOR KC
LOG A B C
-0.176 -0.14 -63.900
STD ERROR OF ESTIMATE > 0.011
-------
4-27
xioi.
CHO + CH30
CH4
C02
X102.
CHO
CH4
CH2 + CH30
THERMOCHEMICAL DATA
THERHOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-123.949
-123.621
-123.711
-123.398
-122.975
-122.477
-121.926
-121.328
-120.699
-120.012
-119.296
-118.540
-117.733
CP
(GIBBS/HOLE)
0.160
0.229
0.215
U.507
0.731
0.864
U.943
0.993
1.031
1.063
1.095
1.149
1.205
S
(GIBBS/HOLE)
-11.355
-11.224
-11.108
-10.966
-10.787
-10.608
-10.444
-10.294
-10.159
-10.036
-9.922
-9.814
-9.713
LOG KC
(C IN
MOLE/CO
88.379
51.580
24.608
15.582
11.079
8.407
6.599
5.326
4.374
3.635
3.046
2.577
2.274
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
104.245
104.672
104.845
105.346
105.696
105.995
106.266
106.523
106.766
107.026
107.270
107.513
107.750
CP
(GIBBS/HOLE)
0.445
0.925
0.687
0.530
0.440
0.371
0.316
0.265
0.217
0.166
0.117
0.066
0.011
S
(GIBBS/HOLE)
1.421
1.796
2.384
2.628
2.768
2.859
2.921
2.966
2.997
3.021
3.036
3.045
3.048
LOG KC
(C IN
MOLE/CO
-76.102
-45.360
-22.409
-14.774
-10.945
-8.622
-7.103
-6.004
-5.178
-4.538
-4.026
-3.620
-3.369
PARAMETERS FOR KC
LOG A B C
-2.864 0.12 -123.949
STD .ERROR OF ESTIMATE
0.012
PARAMETERS FOR KC
LOG A B C
-0.413 0.26 104.245
STO ERROR OF ESTIMATE -
U.009
X103.
CHO + CH4
CH20 + CH3
X104.
CHO
* CH2 + 0
THERMOCHEMICAL DATA
THERMOCHEHICAL DATA
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
17.765
18.241
18.355
18.548
18.651
18.716
18.760
18.790
18.803
18.831
18.844
18.857
18.868
CP
(GIBBS/MOLE)
0.922
0.942
0.262
0.030
-0.039
-0.087
-0.138
-0.192
-0.245
-0.298
-0.345
-0.391
-0.438
S
(GIBBS/MOLE)
0.487
0.999
1.423
1.477
1.473
1.461
1.440
1.415
1.385
1.354
1.320
1.285
1.248
LOG KC
(C IN
HOLE/CO
-12.913
-7.755
-3.700
-2.380
-1.717
-1.298
-1.051
-0.864
-0.725
-0.619
-0.535
-0.470
-0.416
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
90.809
91.100
90.624
90.603
90.605
90.672
90.784
90.942
91.137
91.397
91.687
92.013
92.372
CP
(GIBBS/MOLE)
0.269
-0.142
-0.562
-0.318
-0.123
-0.011
0.062
0.120
0.169
0.212
0.248
0.274
0.288
S
(GIBBS/MOLE)
3.735
3. 781
3.477
3.291
3.229
3.214
3.220
3.234
3.252
3.275
3.300
3.325
3.349
LOG KC
(C IN
HOLE/CO
-65.745
-38.994
-19.062
-12.481
-9.196
-7.205
-5.910
-4.972
-4.269
-3.724
-3.286
-2.930
-2.634
PARAMETERS FOR KC
LOG A B C
-0.250 0.14 17.765
STD ERROR OF ESTIMATE = U.009
PARAMETERS FOR KC
LOG A B C
1.238 -0.15 90.809
STD ERROR OF ESTIMATE
0.009
-------
4-28
X105.
CHO
CH20
X106.
CHO
CO
H2
THERMOCHEMICAL DATA
THERMOCH6HICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-87.050
-87.643
-89.112
-89.492
-89.501
-89.325
-89.049
-88.714
-88.349
-87.937
-87.518
-87.084
-86.640
CP
(GIBBS/HOLE)
-4.776
-3.765
-1.636
-0.539
0.007
0.279
0.411
0.472
0.494
0.494
0.484
0.466
0.438
S
(GIBBS/HOLE)
-28.796
-31.045
-32.928
-33.358
-33.430
-33.395
-33.331
-33.262
-33.199
-33.140
-33.088
-33.042
-33.004
LOG KC
1C IN
HOLE/CO
61.904
36.135
17.193
10.838
7.688
5.841
4.594
3.729
3.087
2.595
2.208
1.892
1.634
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-87.517
-87.184
-87.773
-88.352
-88.908
-89.371
-89.739
-90.013
-90.196
-90.256
-90.229
-90.107
-89.890
CP
(GIBBS/HOLE)
0.620
-0.111
-1.303
-1.415
-1.229
-1.019
-0.854
-0.692
-0.529
-0.371
-0.220
-0.073
0.065
S
(GIBBS/MOLE)
-2.635
-2.475
-3.004
-3.578
-3.962
-4.214
-4.384
-4.503
-4.586
-4.639
-4.670
-4.684
-4.685
LOG KC
(C IN
HOLE/CO
63.576
37.565
18.525
12.090
8.848
6.910
5.578
4.636
3.925
3.369
2.923
2.556
2.250
PARAMETERS FOR KC
LOG A B C
-2.431 0.19 -87.050
STD ERROR OF ESTIMATE
0.026
PARAMETERS FOR KC
LOG A B C
0.579 -0.39 -87.517
STD ERROR OF ESTIMATE
0.011
X107.
CHO
CH2 + NO
X108.
CHO
HN
CH20 + N
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
14.918
15.214
14.979
15.239
15.429
15.590
15.725
15.840
15.929
16.022
16.085
16.128
16.149
CP S
(GIBBS/MOLE) (GIBBS/MOLE)
0.167 -0.287
0.038
0.059
0.156 .
0.152
0.103
0.040
-0.029
-0.104
-0.184
-0.264
-0.349
-0.437
-0.235
-0.224
-0.179
-0.132
-0.103
-0.090
-0.089
-0.098
-0.115
-0.138
-0.166
-0.202
LOG KC
(C IN
MOLE/CO
-10.993
-6.701
-3.338
-2.259
-1.715
-1.367
-1.165
-1.009
-0.891
-0.804
-0.734
-0.678
-0.634
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-11.997
-11.992
-12.088
-11.391
-10.571
-9.734
-8.900
-8.065
-7.214
-6.293
-5.313
-4.241
-3.073
CP
(GIBBS/MOLE)
-1.806
-0.823
0.829
1.333
1.470
1.478
1.449
1.438
1.467
1.541
1.658
1.798
1.942
S
(GIBBS/MOLE)
-8.083
-8.800
-8.760
-8.308
-7.902
-7.570
-7.304
-7.082
-6.889
-6.712
-6.544
-6.379
-6.218
LOG KC
(C IN
HOLE/CO
7.035
3.322
0.730
-0.155
-0.571
-0.783
-0.946
-1.042
-1.109
-1.159
-1.195
-1.224
-1.244
PARAMETERS FOR KC
LOG A B C
-0.129 0.01 14.918
STD ERROR OF ESTIMATE
0.009
PARAMETERS FOR KC
LOG A B C
-2.417 0.16 -11.997
STD ERROR OF ESTIMATE - 0.022
-------
4-29
X109.
CHD + HN
CN
H20
X110.
CHO
HNO
CH2 + N02
THERHOCHEHICAL DATA
THERHOCHEHICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-52.810
-52.630
-53.283
-53.670
-53.889
-53.841
-53.496
-52.887
-52.088
-51.140
-50.131
-49.089
-48.040
CP
(GIBBS/HOLE)
-0.242
-0.681
-1.109
-0.893
-0.391
0.205
0.763
1.198
1.483
1.635
1.688
1.683
1.641
S
(GIBBS/HOLE)
-3.446
-3.685
-4.333
-4.757
-4.950
-4.973
-4.885
-4.733
-4.552
-4.368
-4.192
-4.030
-3.887
LOG KC
(C IN
HOLE/CO
37.960
22.199
10.698
6.780
4.806
3.638
2.829
2.267
1.851
1.528
1.275
1.069
0.900
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
67.460
67.876
67.913
68.304
68.580
68.829
69.062
69.293
69.516
69.759
69.991
70.223
70.451
CP
(GIBBS/HOLE)
0.558
0.730
0.421
0.350
0.319
0.287
0.254
0.219
0.180
0.137
0.094
0.046
-0.005
S
(GIBBS/MOLE)
-2.727
-2.372
-1.971
-1.818
-1.721
-1.653
-1.604
-1.567
-1.541
-1.522
-1.510
-1.502
-1.501
LOG KC
(C IN
MOLE/CO
-50.042
-30.188
-15.289
-10.348
-7.870
-6.359
-5.382
-4.670
-4.135
-3.721
-3.389
-3.119
-2.895
PARAMETERS FOR KC
LOG A B C
0.210 -0.35 -52.810
STD ERROR OF ESTIMATE
U.009
PARAMETERS FOR KC
LOG A B C
-1.086 0.17 67.460
STD ERROR 3F ESTIMATE
0.009
Xlll.
CHO
HNO
CH20 + NO
X112.
CHO * HO
- CH2 + 02
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-37.170
-37.087
-37.460
-37.196
-36.788
-36.314
-35.802
-35.263
-34.713
-34.125
-33.532
-32.922
-32.300
CP
(GIBBS/MOLE)
-0.954
-0.852
0.001
0.470
0.696
U.802
0.844
0.856
0.853
0.842
0.832
0.819
0.800
S
(GIBBS/MOLE)
-3.786
-4.282
-4.595
-4.494
-4.325
-4.155
-4.005
-3.873
-3.761
-3.661
-3.572
-3.492
-3.424
LOG KC
(C IN
MOLE/CO
26.421
15.274
7.183
4.437
3.074
2.285
1.733
1.356
1.075
0.857
0.685
0.544
0.427
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
73.858
74.136
74.032
74.478
74.874
75.297
75.769
76.301
76.875
77.505
78.144
78.786
79.421
CP
(GIBBS/MOLE)
-0.147
0.121
0.411
0.539
0.610
0.698
0.797
0.876
0.924
0.936
0.915
0.867
0.798
S
(GIBBS/MOLE)
-2.218
-2.218
-2.037
-1.842
-1.678
-1.533
-1.396
-1.268
-1.148
-1.037
-0.940
-0.853
-0.781
LOG KC
(C IN
MOLE/CO
-54.620
-32.890
-16.641
-11.253
-8.549
-6.898
-5.825
-5.042
-4.451
-3.991
-3.621
-3.318
-3.065
PARAMETERS FOR KC
LOG AS C
-0.788 -0.05 -37.170
STD ERROR OF ESTIMATE
0.016
PARAMETERS FOR KC
LOG A B C
-0.894 0.12 73.858
STD ERROR OF ESTIMATE
0.011
-------
4-30
X113.
CHO
HO
CH20
X114.
CHO
HO
CO
H20
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
15.117
15.133
15.090
15.687
16.808
17.738
18.652
19.553
20.437
21.339
22.231
23.125
24.015
CP S
(GIBBS/MOLE) (GIBBS/MOLE)
-1.738 -6.817
-0.771
0.999
1.544
1.667
1.655
1.603
1.548
1.499
1.456
1.415
1.372
1.318
PARAMETERS FOR KC
LOG A B
-2.316 0.22
STO ERROR OF ESTIMATE »
X115.
CHO + HO
C02
-7.504
-7.396
-6.863
-6.399
-6.026
-5.728
-5.485
-5.283
-5.108
-4.957
-4.823
-4.707
C
15.117
0.023
+ H2
LOG KC
(C IN
MOLE/CO
-12.567
-8.254
-4.914
-3.814
-3.236
-2.848
-2.610
-2.419
-2.271
-2.153
-2.054
-1.974
-1.905
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-102.707
-102.555
-103.214
-103.549
-103.769
-103.886
-103.926
-103-.903
-103.844
-103.728
-103.591
-103.429
-103.241
CP
(GIBBS/MOLE)
-0.446
-0.776
-1.035
-0.801
-0.528
-0.339
-0.221
-0.150
-0.107
-0.084
-0.073
-0.063
-0.056
PARAMETERS FOR
LOG A B
-0.175 -0.35
STD ERROR OF ESTIMATE
X116.
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-112.546
-112.073
-111.518
-110.750
-110.035
-109.321
-108.579
-107.792
-106.950
-106.015
-105.014
-103.931
-102.760
CP S
(GIBBS/MOLE) (GIBBS/MOLE)
0.330 -15.266
1.347
1.382
1.222
1.213
1.261
1.312
1.388
1.490
1.598
1.707
1.841
1.972
-14.784
-13.775
-13.256
-12.909
-12.633
-12.399
-12.191
-12.000
-11.818
-11.644
-11.474
-11.309
LOG KC
(C IN
MOLE/CO
79.163
45.754
21.360
13.239
V.201.
6.815
3.199
4.066
3.221
2.566
2.045
1.621
1.270
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
CHO + H02
S
(GIBBS/MOLE)
-5.226
-5.537
-6.201
-6.582
-6.775
-6.871
-6.921
-6.950
-6.967
-6.977
-6.986
-6.992
-6.998
KC
C
-102.707
0.009
LOG KC
(C IN
MOLE/CO
74.145
43.615
21.201
13.648
9.857
7.599
6.057
4.968
4.151
3.512
3.001
2.581
2.231
CH20 « 02
THERHOCHEMICAL DATA
H
(KCAL/HOLE)
-39.950
-39.882
-40.164
-39.734
-39.140
-38.430
-37.614
-36.699
-35.711
-34.637
-33.526
-32.377
-31.204
CP
(GIBBS/HOLE)
-1.126
-0.845
0.303
0.817
1.109
1.338
1.527
1.674
1.782
1.852
1.892
1.911
1.908
S
(GIBBS/HOLE)
-6.783
-7.322
-7.521
-7.286
-7.010
-6.736
-6.475
-6.228
-5.998
-5.783
-5.586
-5.403
-5.238
LOG KC
(C IN
HOLE/CO
27.804
15.832
7.134
4.197
2.744
1.906
1.326
0.931
0.640
0.418
0.245
0.104
-0.009
PARAMETERS FOR KC
LOG A B C
-4.797 0.51 -112.546
STD ERROR OF ESTIMATE
0.011
PARAMETERS FOR KC
LOG A B C
-1.738 0.04 -39.950
STO ERROR OF ESTIMATE 0.019
-------
4-31
X117.
CHQ + H02
C02 + H20
X118.
CHO
H2
CH2
HO
THERMOCHEMICAL DATA
THERHOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-165.852
-165.495
-165.621
-165.443
-165.113
-164.629
-164.017
-163.293
-162.484
-161.571
-160.590
-159.528
-158.379
CP
(GIBBS/MOLE)
0.292
0.345
-0.019
0.252
0.623
0.915
1.134
1.300
1.440
1.557
1.664
1.797
1.931
PARAMETERS FOR
LOG A B
-2.841 0.08
STD ERROR OF ESTIMATE
X119.
CHO + H2
S
(GIBBS/HOLE)
-11.870
-11.665
-11.583
-11.550
-11.426
-11.253
-11.067
-10.879
-10.696
-10.519
-10.349
-10.184
-10.023
KC
C
-165.852
0.011
LOG KC
(C IN
HOLE/CO
118.978
69.786
33.663
21.580
15.543
11.951
9.529
7.818
0.540
5.547
f.757
4.112
3.578
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
92.842
93.124
92.652
92.698
92.756
92.839
92.919
92.987
93.017
93.029
92.988
92.904
92.777
CP S
(GIBBS/MOLE) (GIBBS/MOLE)
0.275 5.332
-0.193
-0.480
-0.185
-0.042
-0.026
-0.053
-0.130
-0.242
-0.369
-0.495
-0.626
-0.756
PARAMETERS FOR KC
LOG A B
1.518 -0.13
STD ERROR 3F ESTIMATE
CH20 + H
X120.
THERMOCHEMICAL DATA
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
17.150
17.157
17.118
17.982
18.959
19.905
20.787
21.598
22.317
22.971
23.532
24.016
24.420
CP
(GIBBS/HOLE)
-1.732
-0.822
1.081
1.677
1.748
1.640
1.488
1.298
1.088
0.875
0.672
0.472
0.274
S
(GIBBS/HOLE)
-5.220
-5.929
-5.822
-5.236
-4.738
-4.356
-4.072
-3.856
-3.697
-3.580
-3.499
-3.443
-3.412
LOG KC
(C IN
MOLE/CO
-13.708
-8.794
-5.013
-3.764
-3.107
-2.673
-2.403
-2.191
-2.027
-1.898
-1.793
-1.708
-1.636
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
CHO + H2
CH3
5.356
3.051
4.918
4.890
4.884
4.876
4.863
4.838
..803
4.758
f.705
4.644
C
92.842
0.009
+ 0
LOG KC
(C IN
HOLE/CO
-66.886
-39.534
-19.161
-12.431
-9.067
-7.030
-5.703
-4.744
-4.025
-3.469
-3.025
-2.664
-2.365
THERHOCHEHICAL DATA
H
(KCAL/MOLE)
85.379
85.550
85.380
85.873
86.537
87.255
87.973
88.678
89.341
89.989
90.589
91.151
91.674
CP S
(GIBBS/MOLE) (GIBBS/HOLE)
-0.676 -0.024
-0.354
0.385
0.967
1.211
1.253
1.221
1.137
1.026
0.908
0.792
0.671
0.546
-0.300
-0.325
-0.041
0.276
0.554
U.780
0.963
1.107
1.222
1.312
1.381
1.434
LOG KC
(C IN
MOLE/CO
-62.584
-37.458
-18.731
-12.520
-9.397
-7.488
-6.238
-5.327
-4.640
-4.104
-3.673
-3.321
-3.027
PARAMETERS FOR KC
LOG A B C
-2.037 0.25 17.150
PARAHETERS FOR KC
LOG A B C
-0.459 0.12 85.379
STO ERROR OF ESTIHATE
0.024
STD ERROR OF ESTIHATE
0.018
-------
4-32
X121.
CHO + H2 + M
CH30
X122.
CHO
H20
CH2
H02
THERHOCHEHICAL DATA
THERMOCHEMICAL DATA
J
>EG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-6.000
-6.762
-7.866
-7.424
-6.524
-5.463
-4.354
-3.245
-2.182
-1.150
-0.190
0.710
1.544
CP
(GIBBS/MOLE)
-6.198
-3.994
-0.264
1.246
1.820
2.001
2.024
1.946
1.813
1.654
1.490
1.320
1.145
S
(GIBBS/MOLE)
-31.621
-34.329
-35.769
-35.539
-35.088
-34.657
-34.290
-33.982
-33.732
-33.526
-33.360
-33.226
-33.119
LOG KC
(C IN
MOLE/CC)
1.876
0.066
-1.185
-1.595
-1.741
-1.766
-1.786
-1.766
-1.737
-1.704
-1.670
-1.649
-1.712
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
146.148
146.546
146.755
147.391
147.834
148.147
148.357
148.488
148.551
148.585
148.564
148.501
148.396
CP
(GIBBS/MOLE)
0.313
u.809
0.921
0.785
0.548
0.320
0.125
-0.042
-0.192
-0.328
-0.452
-0.582
-0.715
S
(GIBBS/MOLE)
1.936
2.237
2.859
3.212
3.407
3.504
3.544
3.551
3.534
3.504
3.463
3.415
3.358
LOG KC
(C IN
HOLE/CO
-106.701
-63.566
-31.464
-20.772
-15.409
-12.166
-10.033
-8.496
-7.344
-6.450
-5.737
-5.155
-4.673
PARAMETERS FOR KC
LOG A B C
-4.292 0.58 -6.000
STD ERROR OF ESTIMATE
0.0*2
PARAMETERS FOR KC
LOG A B C
-0.437 0.30 146.148
STD ERROR OF ESTIMATE
0.010
X123.
CHO
H20
= CH20 + HO
X124.
CHO
H20
» CH3 + 02
THERHOCHEHICAL DATA
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
32.340
32.528
32.559
33.179
33.820
34.420
34.974
35.488
35.965
36.443
36.894
37.338
37.771
CP
(GIBBS/MOLE)
-0.666
-0.157
0.813
1.063
1.047
0.960
0.855
0.756
0.666
u.588
0.525
0.462
0.395
S
(GIBBS/MOLE)
-2.629
-2.867
-2.625
-2.232
-1.925
-1.699
-1.535
-1.409
-1.316
-1.242
-1.183
-1.135
-1.099
LOG KC
(C IN
MOLE/CC)
-24.277
-14.844
-7.689
-5.322
-4.116
-3.362
-2.882
-2.523
-2.253
-2.041
-1.871
-1.733
-1.617
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
83.618
83.957
84.229
84.945
85.667
86.395
87.145
87.927
88.727
89.569
90.408
91.246
92.074
CP
(GIBBS/HOLE)
-0.026
0.574
1.090
1.210
1.243
1.282
1.323
1.351
1.359
1.345
1.312
1.254
1.177
S
(GIBBS/MOLE)
-3.386
-3.237
-2.642
-2.170
-1.818
-1.536
-1.299
-1.092
-0.912
-0.752
-0.612
-0.489
-0.383
LOG KC
(C IN
MOLE/CC)
-62.028
-37.404
-18.986
-12.850
-9.759
-7.870
-6.632
-5.729
-5.048
-4.514
-4.086
-3.734
-3.439
PARAMETERS FOR KC
LOG A B C
-1.281 0.21 32.340
STD ERROR OF ESTIMATE « 0.015
PARAMETERS FOR KC
LOG A B C
-1.B36 0.37 83.61B
STD ERROR OF ESTIMATE
0.013
-------
4-33
X12S.
CHO
H20
CH30 + 0
X126.
CHO
CN
HO
THERMOCHEMICAL DATA
THERHOCHEHICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
111.357
111.385
111.777
113.152
114.646
116.115
117.534
118.912
120.252
121.598
122.921
124.241
125.550
CP
(GIBBS/HOLE)
-2.094
-0.335
2.103
2.715
2.779
2.697
2.583
2.480
2.396
2.329
2.274
2.216
2.146
S
(GIBBS/MOLE)
-7.051
-7.726
-7.040
-6.040
-5.244
-4.631
-4.150
-3.758
-3.435
-3.156
-2.913
-2.699
-2.509
LOG KC
(C IN
HOLE/CO
-83.164
-50.373
-25.968
-17.805
-13.674
-11.144
-9.469
-8.246
-7.321
-6.595
-6.010
-5.540
-5.232
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-8.473
-8.110
-8.636
-9.100
-9.498
-9.687
-9.622
-9.334
-8.909
-8.404
-7.924
-7.510
-7.196
CP
(GIBBS/HOLE)
0.898
-0.015
-1.125
-1.163
-0.814
-0.313
0.169
0.516
0.682
0.682
u.555
0.347
0.094
S
(GIBBS/HOLE)
2.008
2.248
1.802
1.319
1.027
0.898
0.884
0.940
1.021
1.102
1.169
1.214
1.232
LOG KC
(C IN
HOLE/CO
6.648
4.033
2.279
1.613
1.261
1.059
0.893
0.786
U.707
0.646
0.599
0.560
U.527
PARAMETERS FOR KC
LOG A B C
-3.422 0.58 111.357
STD ERROR OF ESTIMATE
0.029
PARAMETERS FOR KC
LOG A B C
1.346 -0.30 -8.473
STD ERROR OF ESTIMATE
0.007
X127.
CHO + N
CO
+ HN
X128.
CHO > NO
CN
H02
THERMOCHEMICAL DATA
THERMOCHEHICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6300
H
(KCAL/MOLE)
-58.370
-58.035
-58.567
-58.979
-59.378
-59.732
-60.052
-60.350
-60.665
-60.992
-61.384
-61.850
-62.397
r.P
(GIBBS/MOLE)
0.694
-0.110
-1.051
-1.071
-0.951
-0.857
-0.815
-0.832
-0.908
-1.037
-1.206
-1.399
-1.603
S
(GIBBS/MOLE)
0.228
0.396
-0.066
-0.506
-0.798
-1.000
-1.152
-1.277
-1.394
-1.507
-1.625
-1.748
-1.879
LOG KC
(C IN
MOLE/CC)
42.833
25.449
12.782
8.481
6.312
5.020
4.121
3.487
3.007
2.630
2.325
2.072
1.858
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAI./MOLE)
78.420
78.702
78.493
78.482
78.516
78.716
79.136
79.761
80.534
81.423
82.348
83.284
84.207
CP
(GIBBS/HOLE)
-0.096
0.090
-0.247
-0.264
0.005.
0.422
0.848
1.185
1.395
1.491
1.500
1.450
1.363
S
(GIBBS/MOLE)
-1.223
-1.213
-1.250
-1.366
-1.411
-1.366
-1.251
-1.093
-0.920
-0.749
-0.591
-0.449
-0.327
LOG KC
(C IN
MOLE/CC)
-57.748
-34.666
-17.428
-11.733
-8.888
-7.161
-6.039
-5.220
-4.602
-4.118
-3.728
-3.408
-3.139
PARAMETERS FOR KC
LOG A B C
0.959 -0.31 -58.370
PARAMETERS FOR KC
LOG A B C
-0.097 -0.06 78.420
STD ERROR OF ESTIMATE
0.010
STD ERROR OF ESTIMATE
0.008
-------
4-34
X129.
CHD + NO
CO
HNO
X130.
CHO
NO
C02 + HN
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-33.197
-32.940
-33.195
-33.174
-33.161
-33.152
-33.150
-33.152
-33.166
-33.160
-33.165
-33.169
-33.170
CP
(GIBBS/MOLE)
-0.158
-0.081
-0.223
-0.208
-0.177
-0.181
-0.210
-0.250
-0.294
-0.338
-0.380
-0.420
-0.461
PARAMETERS FOR
LOG A B
-0.668 -0.08
STD ERROR OF ESTIMATE
X131.
CHO + N02
S
(GIBBS/MOLE)
-4.069
-4.122
-4.231
-4.320
-4.375
-4.415
-4.451
-4.486
-4.522
-4.558
-4.597
-4.63S
-4.673
KC
C
-33.197
0.009
LOG KC
(C IN
MOLE/CO
23.447
13.497
6.329
3.889
2.667
1.952
1.442
1.089
0.823
0.614
u.445
0.304
0.187
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H CP S
(KCAL/MOLE) (GIBBS/MOLE) (GIBBS/MOLE)
-34.622 0.438 -9.647
-34.163
-33.845
-33.291
-32.708
-32.072
-31.385
-30*645
-29.862
-29.008
-28.111
-27.155
-26.132
1.116
0.843
0.881
1.019
1.132
1.219
1.287
1.352
1.413
1.476
1.564
1.653
-9.193
-8.500
-8.159
-7.887
-7.646
-7.433
-7.239
-7.064
-6.900
-6.748
-6.603
-6.463
LOG KC
(C IN
HOLE/CO
23.270
12.921
5.537
3.067
1.849
1.152
0.661
0.331
0.087
-0.099
-0.246
-0.365
-0.461
PARAMETERS FOR KC
LOG A B C
-3.149 0.37 -34.622
= C02 + HNO
X132.
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-87.164
-86.825
-86.779
-86.356
-85.859
-85.311
-84.722
-84.098
-83.449
-82.745
-82.017
-81.250
-80.434
CP
(GIBBS/MOLE)
0.047
0.424
0.481
0.687
0.852
0.948
1.005
1.039
1.068
1.092
1.118
1.169
1.221
S
(GIBBS/MOLE)
-7.207
-7.056
-6.753
-6.520
' -6.298
-6.096
-5.919
-5.761
-5.621
-5.493
-5.376
-5.267
-5.164
LOG KC
(C IN
MOLE/CO
62.319
36.408
17.488
11.156
8.004
0.144
4.878
3.992
3.331
2.818
2.409
2.076
1.800
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
STD ERROR
CHO * N2
OF ESTIMATE
= CN
0.011
+ HNO
THERMOCHEMICAL DATA
H
(KCAL/MOLE)
118.800
119.095
119.019
119.210
119.416
119.748
120.272
120.983
121.826
122.775
123.752
124.731
125.687
CP
(GIBBS/MOLE)
0.017
0.171
0.150
0.119
0.306
0.655
1.035
1.338
1.525
1.603
1.594
1.527
1.418
S
(GIBBS/HOLE)
1.700
1.745
1.879
1.928
1.982
2. 086
2.239
2.424
2.616
2.801
2.970
3.120
3.248
LOG KC
(C IN
MOLE/CC)
-86.707
-51.674
-25.601
-16.947
-12.616
-9.994
-8.272
-7.025
-6.085
-5.351
-4.760
-4.276
-3.869
PARAMETERS FOR KC
LOG A B C
-2.192 0.20 -87.164
PARAMETERS FOR KC
LOG A B C
0.201 0.05 118.800
STD ERROR OF ESTIMATE
0.012
STO ERROR OF ESTIMATE
0.009
-------
4-35
X133.
CHO + 0
CO
HO
X134.
CHO
C02
TH6RHOCHEMICAL DATA
THERHOCHEMICAL DATA
T
(DE6 K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-85.484
-85.160
-85.745
-86.257
-86.757
-87.204
-87.604
-87.968
-88.316
-88.624
-88.928
-89.216
-89.485
CP S
(GIBBS/MOLE) (GIBBS/MOLE)
0.626 -1.038
-0.162
-1.221
-1.282
-1.148
-1.034
-0.969
-0.942
-0.940
-0.952
-0.963
-0.973
-0.979
-0.900
-1.430
-1.951
-2.301
-2.544
-2.728
-2.874
-3.000
-3.111
-3.212
-3.304
-3.390
LOG KC
(C IN
MOLE/CO
62.435
37.025
18.426
12.140
8.977
7.085
5.785
t.864
4.169
3.624
3.184
2.822
2.519
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
PARAMETERS FOR KC
LOG A B C
0.859 -0.37 -85.484
STD ERROR OF ESTIMATE
X135.
CHO * 02
CO
0.010
+ H02
H
(KCAL/MOLE)
-110.513
-110.049
-109.490
-108.655
-107.884
-107.154
-106.444
-105.747
-105.070
-104.383
-103.713
-103.040
-102.355
CP
(GIBBS/MOLE)
0.336
1.296
1.464
1.355
1.294
1.246
1.197
1.138
1.079
1.017
u.964
0.941
0.928
PARAMETERS FOR
LOG A B
-4.517 0.53
STD ERROR OF ESTIMATE
X136.
THERMOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-30.417
-30.145
-30.491
-30.636
-30.809
-31.036
-31.338
-31.716
-32.168
-32.648
-33.171
-33.714
-34.266
CP
(GIBBS/MOLE)
0.014
-0.088
-0.525
-0.555
-0.590
-0.717
-0.893
-1.068
-1.223
-1.348
-1.440
-1.512
-1.569
S
(GIBBS/MOLE)
-1.072
-1.082
-1.305
-1.528
-1.690
-1.834
-1.981
-2.131
-2.285
-2.436
-2.583
-2.724
-2.859
LOG KC
(C IN
MOLE/CO
22.064
12.939
6.378
4.129
2.997
2.331
1.849
1.514
1.258
1.053
0.885
0.744
0.623
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
CHO + 02
S
(GIBBS/MOLE)
-13.669
-13.209
-12.201
-11.629
-11.248
-10.963
-10.743
-10.562
-10.414
-10.290
-10.186
-10.094
-10.014
KC
C
-110.513
0.011
LOG KC
(C IN
MOLE/CO
78.022
45.214
21.261
13.289
9.330
6.990
5.406
4.294
3.465
2.821
2.306
1.887
1.539
C02 + HO
THERMOCHEMICAL DATA
H
(KCAL/MOLE)
-93.562
-93.085
-92.898
-92.530
-92.153
-91.779
-91.429
-91.106
-90.808
-90.491
-90.170
-89.813
-89.404
CP
(GIBBS/MOLE)
0.752
1.033
0.491
0.498
0.561
0.537
0.462
0.382
0.324
0.293
0.297
0.348
0.418
S
(GIBBS/MOLE)
-7.716
-7.210
-6.687
-6.496
-6.341
-6.216
-6.127
-6.060
-6.014
-5.978
-5.946
-5.916
-5.884
LOG KC
(C IN
MOLE/CC)
66.897
39.110
18.840
12.061
8.683
6.683
5.321
4.364
3.647
3.088
2.641
2.275
1.970
PARAMETERS FOR KC
LOG A B C
0.281 -0.18 -30.417
STD ERROR OF ESTIMATE
0.010
PARAMETERS FOR KC
LOG A B C
-2.384 0.25 -93.562
STD ERROR OF ESTIMATE
0.009
-------
4-36
X137.
CH2 + CH20
CH4 + CO
X138.
CH2
CH30
= CH20 + CH3
THERMOCHEMICAL DATA
THERHOCHEMICAL DATA
T
IDES K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-110.712
-110.975
-111.372
-111.630
-111.627
-111.504
-111.310
-11-1.067
-110.795
-110.495
-110.171
-109.826
-109.456
CP
(GIBBS/MOLE)
-1.247
-1.265
-0.618
-0.160
0.144
0.332
0.443
0.517
0.573
0.623
0.669
0.715
0.761
PARAMETERS FOR
LOG A B
-0.867 -0.26
STD ERROR OF ESTIMATE
X139.
CH2 + CH4
S
(GIBBS/HOLE)
-6.881
-7.555
-8.229
-8.387
-8.388
-8.335
-8.264
-8.189
-8.116
-8.046
-7.978
-7.913
-7.848
KC
C
-110.712
0.008
LOG KC
(C IN
HOLE/CO
79.650
46.856
22.556
14.431
10.364
7.925
0.301
5.145
».279
3.608
3.071
2.635
2.273
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-86.480
-86.431
-86.490
-86.798
-87.045
-87.279
-87.506
-87.733
-87.963
-88.195
-88.426
-88.656
-88.882
CP S
(GIBBS/MOLE) (GIBBS/HOLE)
0.477 -0.934
0.017
-0.425
-0.500
-0.479
-0.458
-0.454
-0.457
-0.462
-0.464
-0.462
-0.457
-0.449
-0.797
-0.961
-1.151
-1.295
-1.398
-1.481
-1.551
-1.612
-1.667
-1.716
-1.760
-1.800
LOG KC
(C IN
MOLE/CO
63.189
37.605
18.709
12.3.94
9.228
7.324
6.052
5.140
4.453
3.919
3.491
3.150
2.953
PARAMETERS FOR KC
LOG A B C
0.163 -0.11 -86.480
STD ERROR OF ESTIMATE
CHS + CH3
X140.
THERMOCHEHICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-4.815
-4.466
-4.007
-4.164
-4.376
-4.606
-4.838
-5.072
-5.310
-5.548
-5.786
-6.021
-6.250
CP
(GIBBS/MOLE)
1.709
1.552
0.128
-0.362
-0.453
-0.463
-0.467
-0.473
-0.476
-0.477
-0.473
-0.466
-0.454
S
(GIBBS/MOLE)
1.948
2.847
3.443
3.381
3.258
a. 157
3.072
3.000
2.937
2.881
2.831
2.784
2.745
LOG KC
(C IN
MOLE/CO
3.956
2.575
1.644
1.345
1.189
1.092
1.024
0.972
0.931
0.899
0.871
0.847
0.627
T
:DEG KI
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
CH2 + C02
= CH20
0.003
* CO
THERHOCHEMICAL DATA
H
(KCAL/MOLE)
-50.663
-51.078
-51.789
-52.318
-52.670
-52.984
-53.292
-53.610
-53.946
-54.299
-54.671
-55.064
-55.487
CP S
(GIBBS/HOLE) (GIBBS/MOLE)
-1.717 2.079
-2.087
-1.124
-0.775
-0.652
-0.614
-0.625
-0.652
-0.689
-0.725
-0.760
-0.816
-0.877
1.024
-0.102
-0.476
-0.681
-0.821
-0.933
-1.031
-1.121
-1.204
-1.283
-1.358
-1.432
LOG KC
(C IN
MOLE/CO
37.591
22.551
11.313
7.518
5.607
4.452
3.679
3.123
2.702
2.374
2.110
1.891
1.709
PARAMETERS FOR KC
LOG A B C
0.088 0.17 -4.815
STD ERROR OF ESTIMATE = 0.011
PARAMETERS FOR KC
LOG A B C
1.821 -0.52 -50.663
STD ERROR OF ESTIMATE » 0.006
-------
4-37
X141.
CH2
CH3
X142.
CH2 + HN
CH3 + N
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
IDEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-109.630
-110.350
-111.474
-112.204
-112.528
-112.647
-112.647
-112.576
-112.462
-112.316
-112.148
-111.962
-111.758
CP
(GIBBS/MOLE)
-3.989
-3.155
-1.770
-0.931
-0.407
-0.097
0.082
0.191
0.263
0.315
0.356
0.391
0.422
PARAMETERS FOR
LOG A
-2.092
B
0.21
STO ERROR OF ESTIMATE
X143.
CH2 + HMD
S
(GIBBS/MOLE)
-27.335
-29.197
-30.908
-31.454
-31.645
-31.699
-31.699
-31.677
-31.647
-31.613
-31.577
-31.543
-31.507
KC
C
-109.630
U.016
LOG KC
(C IN
HOLE/CO
78.773
46.465
22.537
14.563
10.594
8.231
0.669
5.565
<>.743
4.113
3.614
3.209
2.877
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MQLE)
-34.577
-34.699
-34.450
-34.103
-33.598
-33.056
-32.498
-31.927
-31.327
-30.672
-29.943
-29.119
-28.191
CP
(GIBBS/MOLE)
-1.019
-0.213
0.695
0.941
1.056
1.102
1.120
1.157
1.236
1.362
1.530
1.723
1.926
PARAMETERS FOR
LOG A
-2.077
B
0.19
STD ERROR OF ESTIMATE
» CH2D + HN
X144.
THERMOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-52.088
-52.301
-52.439
-52.435
-52.217
-51.904
-51.527
-51.103
-50.642
-50.147
-49.617
-49.050
-48.449
CP
(GIBBS/MOLE)
-1.121
-0.890
-0.058
0.314
0.544
0.699
0.804
0.885
0.957
1.026
1.096
1.168
1.237
S
(GIBBS/HOLE)
-3.499
-4.047
-4.371
-4.315
-4.193
-4.052
-3.915
-3.784
-3.663
-3.546
-3.434
-3.326
-3.222
LOG KC
(C IN
MOLE/CC)
37.414
21.975
10.521
6.696
4.789
3.6S2
2.898
2.365
1.966
1.661
1.419
1.222
1.061
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
CH2 + HNO
S
(GIBBS/MOLE)
-6.622
-6.952
-6.740
-6.404
-6.117
-5.874
-5.672
-5.497
-5.337
-5.185
-5.033
-4.880
-4.721
KC
C
-34.577
0.011
LOG KC
(C IN
MOLE/CC)
23.904
13.652
6.074
3.570
2.335
1.607
1.129
0.794
u.547
0.359
0.211
0.093
-0.001
CH3 + NO
THERMOCHEMICAL DATA
H
(KCAL/MOLE)
-59.750
-59.794
-59.822
-59.908
-59.815
-59.636
-59.400
-59.125
-58.826
-58.504
-58.162
-57.800
-57.418
CP
(GIBBS/MOLE)
-0.167
-0.242
-0.133
0.078
0.282
0.426
0.515
0.575
U.622
0.663
0.704
0.744
0.784
S
(GIBBS/MOLE)
-2.325
-2.434
-2.575
-2.590
-2.540
-2.459
-2.373
-2.288
-2.209
-2.134
-2.061
-1.993
-1.927
LOG KC
(C IN
MOLE/CC)
43.290
25.604
12.527
8.162
5.980
4.675
3.808
3.192
2.731
2.375
2.091
1.861
1.670
PARAMETERS FOR KC
LDG A B C
-0.659 -0.07 -52.088
STD ERROR OF ESTIMATE
0.010
PARAMETERS FOR KC
LOG A B C
-0.449 -0.02 -59.750
STD ERROR OF ESTIMATE
0.004
-------
4-38
X145.
CH2
HNO
CH30 + N
X146.
CH2
HO
CH20 + H
THERHOCHEMICAL DATA
THERHOCHEHICAL DATA
T
(OES Kl
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-0.185
-0.569
-0.399
0.260
1.230
2.319
3.481
4.703
5.994
/.376
8.866
10.487
12.242
CP
(GIBBS/MOLE)
-2.617
-1.120
1.062
1.755
2.079
2.259
2.378
2.499
2.655
2.852
3.088
3.34B
3.612
PARAMETERS FOR
LOG A B
-2.900 0.24
STO ERROR OF ESTIMATE
X147.
T
(DES K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
CH2 + HO
THERMO
H
(KCAL/MOLE)
-7.463
-7.574
-7.272
-6.825
-6.219
-5.584
-4i946
-4.309
-3.676
-3.040
-2.399
-1.753
-1.103
S
(GIBBS/MOLE)
-9.187
-10.202
-10.150
-9.568
-9.015
-8.528
-8.106
-7.730
-7.388
-7.064
-6.751
-6.446
-6.143
KC
C
-0.185
0.024
LOG KC
(C IN
MOLE/CO
-1.871
-1.978
-2.114
-2.128
-2.104
-2.065
-2.025
-1.981
-1.940
-1.899
-1.861
-1^835
-1.893
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-75.692
-75.967
-75.534
-74.716
-73.797
-72.934
-72.132
-71.389
-70.700
-70.058
-69.456
-68.888
-68.357
CP
(GIBBS/MOLE)
-2.007
-0.629
1.561
1.862
1.790
1.666
1.541
1.428
1.330
1.244
1.167
1.098
1.030
S
(GIBBS/MOLE)
-10.552
-11.285
-10.873
-10.154
-9.628
-9.240
-8.948
-8.719
-8.535
-8.383
-8.257
-8.148
-8.056
LOG KC
(C IN
MOLE/CO
53.178
30.740
14.148
a. 667
5.960
4.357
3.300
2.553
1.998
1.571
1.232
0.956
0.729
PARAMETERS FOR KC
LOG A B C
-3.555 0.38 -75.692
STD ERROR OF ESTIMATE
CH3 + 0
CHEMICAL DATA
CP
(GIBBS/MOLE)
-0.951
-0.161
0.865
1.152
1.253
1.279
1.274
1.267
1.268
1.277
1.287
1.297
1.302
X148.
CH2 + HO
0.018
+ M - CH30 + M
THERMDCHEMICAL DATA
S
(GIBBS/MOLE)
-5.356
-5.656
-5.376
-4.959
'-4.614
-4.330
-4.096
-3.900
-3.731
-3.581
-3.446
-3.324
-3.210
LOG KC
(C IN
MQLE/CC)
4.302
2.076
0.430
-0.089
-0.330
-0.458
-0.535
-0.583
-0.615
-0.635
-0.648
-0.657
-0.662
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-98.842
-99.886
-100.518
-100.122
-99.280
-98.302
-97.273
-96.232
-95.199
-94.179
-93.178
-92.194
-91.233
CP
(GIBBS/HOLE)
-6.A73
-3.801
0.216
1.431
1.862
2.027
2.077
2.076
2.055
2.023
1.985
1.946
1.901
S
(GIBBS/MOLE)
-36.953
-39.685
-40.820
-40.457
-39.978
-39.541
-39.166
-38.845
-38.570
-38.329
-38.118
-37.931
-37.763
LOG KC
(C IN
MOLE/CO
68.762
39.600
17.976
10.836
7.326
5.264
3.917
2.978
2.288
1.765
1.355
1.015
0.653
PARAMETERS FOR KC
LOG A B C
-1.977 0.25 -7.463
STD ERROR OF ESTIMATE
0.012
PARAMETERS FOR KC
LOG A B C
-5.610 0.71 -98.842
STD ERROR OF ESTIMATE * 0.037
-------
4-39
X149.
CH2 + H02
» CH20 t HO
X150.
CH2
H02
CH3
02
THERHDCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-113.808
-114.018
-114.196
-114.212
-114.014
-113.727
-113.383
-113.000
-112.586
-112.142
-111.670
-111.163
-110.625
CP S
(GIBBS/MOLE) (GIBBS/MOLE)
-0.979 -4.565
-0.966
-0.108
0.278
0.499
0.640
0.730
0.798
0.858
u.916
0.977
1.044
1.110
-5.104
-5.484
-5.444
-5.332
-5.203
-5.079
-4.960
-4.850
-4.746
-4.646
-4.550
-4.457
LOG KC
(C IN
MOLE/CO
82.424
48.722
23.775
15.450
11.293
8.804
7.151
5.973
5.091
4.409
3.866
3.422
3.056
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
PARAMETERS FOR KC
LOG A 8 C
-0.844 -0.08 -113.806
STD ERROR OF ESTIMATE
X151.
CH2 + H02
CH30
0.010
* 0
H
(KCAL/MOLE)
-62.530
-62.589
-62.526
-62.446
-62.167
-61.752
-61.212
-60.561
-59.824
-59.016
-58.156
-57.255
-56.322
CP
(GIBBS/MOLE)
-0.339
-0.235
0.169
0.425
0.695
U.962
1.198
1.393
1.551
1.673
1.764
1.836
1.892
PARAMETERS FOR
LOG A B
-1.399 0.06
ST3 ERROR OF ESTIMATE
X152.
THERHOCHEMICAL DATA
T
(OE6 K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-34.791
-35.161
-34.978
-34.239
-33.188
-32.032
-30.823
-29.576
-28.299
-26.987
-25.643
-24.260
-22.846
CP S
(GIBBS/HOLE) (GIBBS/MOLE)
-2.407 -8.987
-1.144
1.182
1.930
2.231
2.377
2.458
2.522
2.588
2.657
2.726
2.798
2.861
-9.963
-9.899
-9.252
-8.651
-8.135
-7.694
-7.309
-6.969
-6.660
-6.376
-6.114
-5.867
LOG KC
(C IN
MOLE/CO
23.537
13.193
5.496
2.967
1.735
1.022
0.564
0.250
0.023
-0.145
-0.273
-0.385
-0.559
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
CH2 + H2
S
(GIBBS/MOLE)
-5.322
-5.474
-5.501
-5.382
-5.225
-5.040
-4.843
-4.643
-4.446
-4.256
-4.075
-3.904
-3.741
KC
C
-62.530
0.008
LOG KC
(C IN
MOLE/CO
44.673
26.162
12.478
7.922
5.650
4.296
3.401
2.767
2.296
1.936
1.651
1.421
1.234
CH3 + H
THERHOCHEHICAL DATA
H
(KCAL/MQLE)
-5.430
-5.550
-5.244
-4.730
-4.068
-3.417
-2.811
-2.264
-1.796
-1.408
-1.098
-0.862
-0.698
CP
(GIBBS/MOLE)
-0.945
-0.212
0.947
1.285
1.334
1.264
1.159
1.017
0.857
0.696
0.544
0.397
0.258
S
(GIBBS/MOLE)
-3.759
-4.081
-3.802
-3.332
-2.953
-2.660
-2.440
-2.271
-2.145
-2.053
-1.988
-1.944
-1.915
LOG KC
(C IN
MOLE/CO
3.161
1.536
U.331
-0.039
-0.201
-0.283
-0.328
-0.355
-0.371
-0.380
-0.387
-0.391
-0.393
PARAMETERS FOR KC
LOG A B C
-2.984 0.28 -34.791
PARAMETERS FOR KC
LOG A B C
-1.697 0.27 -5.430
STO ERROR OF ESTIMATE
0.026
STO ERROR OF ESTIMATE
0.013
-------
4-40
X153.
CH2 + H2
* M
CH4
X154.
CH2 + H20
CH20 + H2
THERHOCHEHICAL DATA
THERHOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-110.245
-111.434
-112.711
-112.770
-112.220
-111.458
-110.620
-109.768
-108.948
-108.176
-107.460
-106.803
-106.206
CP
(GIBBS/MOLE)
-6.643
-4.919
-0.951
0.716
1.380
1.630
1.708
1.681
1.596
1.48B
1.373
1.254
1.134
PARAMETERS FOR
LOG A B
-3.878 0.32
STD ERROR OF ESTIMATE
X155.
CH2 + H20
S
(GIBBS/MOLE)
-33.042
-36.125
-38.153
-38.167
-37.856
-37.516
-37.211
-36.948
-36.729
-36.547
-36.396
-36.271
-36.167
KC
C
-110.245
=> 0.041
LOG KC
(C IN
MOLE/CO
77.978
45.426
21.224
13.179
9.204
6.856
5.317
4.238
3.441
2.834
2.356
1.971
1.657
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-60.502
-60.596
-60.093
-59.519
-58.936
-58.419
-57.945
-57.499
-57.052
-56.586
-56.094
-55.566
-55.006
CP
(GIBBS/MOLE)
-0.941
u.036
1.293
1.248
1.089
0.986
0.908
0.886
0.908
0.957
1.020
1.088
1.151
PARAMETERS FOR
LOG A B
-2.799 0.34
STD ERROR OF ESTIMATE
= CH3 + HO
X156.
THERMOCHEMICAL DATA
T
(OE6 K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
9.760
9.821
10.197
10.467
10.793
11.098
11.376
11.626
11.852
12.064
12.264
12.460
12.653
CP
(GIBBS/MOLE)
0.121
0.453
0.679
0.671
0.633
0.584
0.526
0.475
0.435
0.409
0.397
0.387
0.379
S
(GIBBS/MOLE)
-1.168
-1.019
-0.605
-0.328
'-0.140
-0.003
0.097
0.176
0.236
0.285
0.328
0.364
0.398
LOG KC
(C IN
MOLE/CO
-7.408
-4.514
-2.345
-1.597
-1.210
-0.972
-0.807
-0.687
-0.597
-0.523
-0.465
-0.416
-0.374
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
CH2 * H20
S
(GIBBS/MOLE)
-7.961
-8.223
-7.676
-7.150
-6.815
-6.583
-6.411
-6.272
-6.154
-6.045
-5.941
-5.840
-5.743
KC
C
-60.502
0.008
LOG KC
(C IN
MOLE/CO
42.609
24.690
11.472
7.109
4.951
3.668
2.821
2.221
1.772
1.428
1.154
0.931
0.748
= CH30 + H
THERMOCHEMICAL DATA
H
(KCAL/MOLE)
20.548
20.285
21.153
22.549
24.041
25.443
26.750
27.970
29.115
30.201
31.234
32.228
33.178
CP
(GIBBS/MOLE)
-2.363
-0.193
2.665
3.033
2.902
2.708
2.521
2.360
2.227
2.117
2.026
1.942
1.858
S
(GIBBS/MOLE)
-10.786
-11.507
-10.517
-9.331
-8.473
-7.845
-7.370
-6.992
-6.687
-6.431
-6.213
-6.024
-5.858
LOG KC
(C IN
MOLE/CO
-17.419
-11.379
-6.906
-5.324
-4.478
-3.939
-3.559
-3.274
-3.052
-2.871
-2.724
-2.610
-2.598
PARAMETERS FOR KC
LOG AS C
-0.941 0.24 9.760
STD ERROR OF ESTIMATE
0.003
PARAMETERS FOR KC
LOG A B C
-4.660 0.74 20.548
STD ERROR OF ESTIMATE
0.024
-------
4-41
X157.
CH2 + H2D
CH4
X158.
CH2 + N
= CN
H2
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
7.112
0.713
6.932
7.806
8.950
10.120
11.266
12.389
13.486
14.572
15.651
16.728
17.800
CP
(GIBBS/HOLE)
-2.539
-1.260
1.416
2.185
2.339
2.326
2.267
2.215
2.179
2.163
2.157
2.150
2.135
S
(GIBBS/MULE)
-8.472
-9.522
-9.424
-8.668
-8.012
-7.490
-7.071
-6.724
-6.432
-6.177
-5.949
-5.744
-5.557
LOG KC
(C IN
MOLE/CO
-7.062
-5.013
-3.559
-3.031
-2.729
-2.522
-2.366
-2.242
-2.143
-2.057
-1.984
-1.920
-1.863
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-101.315
-101.234
-101.288
-101.798
-102.254
-102.526
-102.541
-102.321
-101.926
-101.433
-100.912
-100.414
-99.973
CP
(GIBBS/HOLE)
0.623
0.178
-0.645
-0.978
-0.772
-0.287
0.222
0.646
0.924
1.051
1.050
0.973
0.850
S
(GIBBS/HOLE)
-3.324
-3.108
-3.249
-3.599
-3.863
-3.986
-3.992
-3.923
-3.817
-3.701
-3.589
-3.491
-3.412
LOG KC
1C IN
HOLE/CO
73.534
43.567
21.440
14.044
10.328
8.089
6.596
5.530
f.732
4.115
3.624
3.224
2.892
PARAMETERS FOR KC
LOG A B C
-3.008 U.32 7.112
STO ERROR OF ESTIMATE
0.027
PARAMETERS FOR KC
LOG A B C
-0.171 -0.17 -101.315
STD tRROR 3F ESTIMATE
0.008
X159.
CH2
NO
CH20 * N
X160.
CH2
NO
CN
H20
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-26.915
-27.206
-27.067
-26.630
-26.000
-25.324
-24.625
-23.905
-23.143
-22.315
-21.398
-20.369
-19.222
CP
(GIBBS/MOLE)
-1.973
-0.861
0.770
1.177
1.318
1.375
1.409
1.467
1.571
1.725
1.922
2.147
2.379
S
(GIBBS/MOLE)
-7.796
-8.565
-8.536
-8.129
-7.770
-7.467
-7.214
-6.993
-6.791
-6.597
-6.406
-6.213
-6.016
LOG KC
(C IN
MOLE/CO
18.028
10.023
4.068
2.104
1.144
0.584
U.219
-0.033
-0.218
-0.355
-0.461
-0.546
-0.610
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-67.728
-67.844
-68.262
-68.909
-69.318
-69.431
-69.221
-68.727
-68.017
-67.162
-66.216
-65.217
-64.189
CP
(GIBBS/MOLE)
-0.409
-0.719
-1.168
-1.049
-0.543
0.102
0.723
1.227
1.587
1.819
1.952
2.032
2.078
S
(GIBBS/MOLE)
-3.159
-3.450
-4.109
-4.578
-4.818
-4.870
-4.795
-4.644
-4.454
-4.253
-4.054
-3.864
-3.685
LOG KC
(C IN
MOLE/CO
48.953
28.900
14.036
9.039
6.521
5.005
3.994
3.276
2.742
2.332
2.009
1.747
1.534
PARAMETERS FOR KC
LOG A B C
-2.288 0.15 -26.915
PARAMETERS FOR KC
LOG A B C
0.339 -0.36 -67.728
STO ERROR OF ESTIMATE
0.016
STD ERROR OF ESTIMATE
0.002
-------
4-42
X161.
CH2
N02
CH20
NO
X162.
CH2 * N20
= CH20 + N2
THERHOCHEHICAL DATA
THERMOCHEHICAL DATA
J
(DEG. K)
298
50.0
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-104.630
-104.963
-105.373
-105.500
-105.368
-105.143
-104.864
-104.556
-104.229
-103.884
-103.523
-103.145
-102.751
CP
(GIBBS/MOLE)
-1.512
-1.582
-0.420
0.120
0.377
U.515
0.590
0.637
0.673
0.705
0.738
0.773
U.805
PARAMETERS FOR
LOG A
0.297
B
-0.23
STD ERROR OF ESTIMATE
X163.
CH2 + 0
S
(GIBBS/MOLE)
-1.059
-1.910
-2.624
-2.676
-2.604
-2.502
-2.401
-2.306
-2.220
-2.139
-2.062
-1.990
-1.923
KC
C
-104.630
0.013
LOG KC
(C IN
MOLE/CO
76.463
45.462
22.472
14.785
10.944
8.644
7.115
6.026
5.210
4.578
».074
3.663
3.322
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-137.910
-138.393
-139.259
-139.873
-140.241
-140.520
-140.750
-140.954
-141.139
-141.308
-141.461
-141.592
-141.704
CP
(GIBBS/MOLE)
-2.077
-2.426
-1.373
-0.870
-0.628
-0.499
-0.431
-0.387
-0.353
-0.322
-0.286
-0.244
-0.198
PARAMETERS FOR
LOG A
1.394
B
-0.61
STD ERROR OF ESTIMATE
+ M CH20 + M
X164.
THERMOCHEHICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MDLE)
-177.859
-178.743
-179.736
-180.095
-180.106
-179.997
-179.833
-179.656
-179.486
-179.334
-179.205
-179.097
-179.012
CP
(GIBBS/MOLE)
-5.045
-3.623
-1.074
-0.221
0.130
0.290
0.349
0.352
0.325
u.282
0.236
0.192
0.150
S
(GIBBS/MOLE)
-32.531
-34.826
-36.405
-36.649
-36.659
-36.609
-36.551
-36.496
-36.451
-36.415
-36.388
-36.367
-36.353
LOG KC
(C IN
MOLE/CO
127.649
75.129
36.255
23.319
16.884
13.046
10.504
8.701
7.356
0.319
5.494
4.822
4.268
T
(OEG Kl
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
CH2 + 0
CO
S
(GIBBS/MOLE)
-0.839
-2.070
-3.412
-3.858
-4.073
-4.197
-4.281
-4.344
-4.394
-4.434
-4.466
-4.491
-4.511
KC
C
-137.910
0.008
+ H2
LOG KC
(C IN
MOLE/CO
100.905
60.039
29.705
19.535
14.434
11.367
9.318
7.853
6.751
5.894
5.208
4.644
f.176
THERMOCHEMICAL DATA
H
(KCAL/MOLE)
-178.326
-178.284
-178.397
-178.955
-179.513
-180.043
-180.523
-180.955
-181.333
-181.653
-181.916
-182.120
-182.262
CP
(GIBBS/MOLE)
0.351
0.031
-0.741
-1.097
-1.106
-1.008
-0.916
-0.812
-0.698
-0.583
-0.468
-0.347
-0.223
S
(GIBBS/MOLE)
-6.370
-6.256
-6.481
-6.869
-7.191
-7.428
-7.604
-7.737
-7.838
-7.914
-7.970
-8.009
-8.034
LOG KC
(C IN
MOLE/CO
129.321
76.559
37.587
24.571
18.044
14.115
11.488
9.60B
8.194
7.093
0.209
5.486
4.884
PARAMETERS FOR KC
LOG A B C
-3.670 0.34 -177.859
STD ERROR OF ESTIMATE = O.022
PARAMETERS FOR KC
LOG A B C
-0.658 -0.24 -178.326
STD ERROR OF ESTIMATE
0.010
-------
4-43
X165.
CH2 + 02
CH20 + 0
X166.
CH2 * 02
CO
H20
THERHOCHEHICAL DATA
THERMOCHEHICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-58.741
-59.003
-58.942
-58.591
-58.066
-57.559
-57.117
-56.748
-56.438
-56.166
-55.913
-55.661
-55.406
CP
(GIBBS/HOLE)
-1.591
-0.892
U.588
1.005
1.057
0.957
0.806
0.672
0.575
0.520
0.500
0.505
0.520
PARAMETERS FOR
LOG A B
-1.422 0.09
STD ERROR OF ESTIMATE
X167.
CH2 + 02
S
(GIBBS/MOLE)
-4.599
-5.286
-5.359
-5.021
-4.721
-4.493
-4.332
-4.217
-4.135
-4.071
-4.017
-3.970
-3.926
KC
C
-58.741
0.014
LOG KC
(C IN
MOLE/CO
42.053
24.636
11.727
7.439
5.313
4.050
3.215
2.623
2.180
1.838
1.567
1.344
1.160
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-176.565
-176.691
-177.246
-178.027
-178.643
-179.183
-179.695
-180.204
-180.719
-181.233
-181.735
-182.215
-182.662
CP
(GIBBS/MOLE)
-0.299
-0.897
-1.446
-1.340
-1.138
-1.037
-1.018
-1.026
-1.031
-1.020
-0.988
-0.930
-0.854
PARAMETERS FOR
LOG A B
0.71B -0.48
STD ERROR OF ESTIMATE
= C02 + H2
X168.
THERMOCHENICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-186.404
-186.209
-185.550
-185.228
-184.909
-184.618
-184.348
-184.093
-183.825
-183.520
-183.158
-182.717
-182.181
CP
(GIBBS/HOLE)
0.477
1.226
0.971
0.683
0.603
0.563
0.515
0.512
0.566
u.662
0.792
U.974
1.174
S
(GIBBS/MOLE)
-13.048
-12.566
-11.738
-11.414
-11.231
-11.100
-11.003
-10.923
-10.852
-10.781
-10.704
-10.621
-10.528
LOG KC
(C IN
MOLE/CO
133.783
78.644
38.001
24.492
17.750
13.713
11.024
9.108
7.672
6.557
5.666
4.939
4.335
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
CH20
+ M « CO
S
(GIBBS/MOLE)
-3.008
-3.319
-4.164
-4.740
-5.097
-5.338
-5.525
-5.682
-5.819
-5.940
-6.046
-6.139
-6.217
KC
C
-176.565
0.004
+ H2 + M
LOG KC
(C IN
MOLE/CO
128.765
76.505
37.842
24.901
18.406
14.497
11.882
10.010
8.602
(.503
6.622
5.899
5.296
THERMOCHEMICAL DATA
H
(KCAL/MOLE)
-0.467
0.459
1.339
1.140
0.593
-0.046
-0.690
-1.299
-1.847
-2.319
-2.711
-3.023
-3.250
CP
(GIBBS/MOLE)
5.396
3.654
0.333
-0.876
-1.236
-1.298
-1.265
-1.164
-1.023
-0.865
-0.704
-0.539
-0.373
S
(GIBBS/MOLE)
26.161
28.570
29.924
29.780
29.468
29.181
28.947
28.759
28.613
28.501
28.418
28.358
28.319
LOG KC
(C IN
MOLE/CO
1.672
1.430
1.332
1.252
1.160
1.069
u.984
0.907
0.838
0.774
0.715
0.664
0.616
PARAMETERS FOR KC
LOG A B C
-3.902 0.38 -186.404
STD ERROR OF ESTIMATE <= 0.002
PARAMETERS FOR KC
LOG A B C
3.011 -0.58 -0.467
STD ERROR OF ESTIMATE » 0.032
-------
4-44
X169.
CH20 + CH20
CH4 t C02
X170.
CH20 + CH4
CH3
CH30
THERMOCHEHICAL DATA
THERHOCHEHICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLEI
-60.049
-59.897
-59.583
-59.312
-58.957
-58.521
-58.018
-57.457
-56.849
-56.196
-55.500
-54.762
-53.969
CP
(GIBBS/MOLE)
U.470
0.822
U.506
0.615
0.796
0.946
1.068
1.169
1.262
1.348
1.429
1.531
1.638
S
(GIBBS/MOLE)
-8.960
-8.579
-8.127
-7.911
-7.707
-7.514
-7.331
-7.158
-6.995
-6.842
-6.695
-6.555
-6.416
LOG KC
(C IN
HOLE/CO
42.059
24.305
11.243
6.913
*.757
3.473
2.622
2.022
1.577
1.234
0.961
0.744
0.564
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
81.665
81.965
82.483
82.634
82.669
82.673
82.668
82.661
82.653
82.647
82.640
82.635
82.632
CP
(GIBBS/HOLE)
1.232
1.535
0.553
0.138
0.026
-0.005
-0.013
-0.016
-0.014
-0.013
-0.011
-0.009
-0.005
S
(GIBBS/MOLE)
2.882
3.644
4.404
4.532
f.553
4.555
4.553
4.551
4.549
4.548
4.547
4.544
f.545
LOG KC
(C IN
HOLE/CO
-59.233
-35.030
-17.065
-11.049
-8.039
-6.232
-5.028
-4.168
-3.522
-3.020
-2.620
-2.303
-2.126
PARAMETERS FOR KC
LOG A B C
-2.688 0.26 -60.049
STD ERROR OF ESTIMATE
0.002
PARAMETERS FOR KC
LOG A B C
-0.074 0.28 81.665
STD ERROR OF ESTIMATE
0.008
X171.
CH20 + H
CH3 * 0
X172.
CH20 + H
CH30
THERMOCHEHICAL DATA
THERMOCHEMICAL DATA
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
68.229
68.393
68.262
67.891
67.578
67.350
67.186
67.080
67.024
67.018
67.057
67.135
67.254
CP
(GIBBS/HOLE)
1.056
0.468
-0.696
-0.710
-0.537
-0.387
-0.267
-0.161
-0.062
0.033
0.120
0.199
0.272
S
(GIBBS/HOLE)
5.196
5.629
5.497
3.195
'5.014
-------
4-45
X173.
CH20 + HN
CH3
NO
KIT,.
CH20 + HN
CH30 + N
THERMOCHEMICAL DATA
THERMOCHEHICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-7.662
-7.493
-7.383
-7.473
-7.598
-7.732
-7.873
-8.022
-8.184
-8.357
-8.545
-8.750
-8.969
CP
(GIBBS/MOLE)
0.954
0.648
-0.075
-0.236
-0.262
-0.273
-0.289
-0.310
-0.335
-0.363
-0.392
-0.424
-0.453
S
(GIBBS/HOLE)
1.174
1.613
1.796
1.725
1.653
1.593
1.542
1.496
1.454
1.412
1.373
1.333
1.295
LOG KC
(C IN
HOLE/CO
5.876
3.629
2.006
1.466
1.191
1.023
0.910
0.827
0.765
0.714
0.672
0.639
0.609
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
51.903
51.732
52.040
52.695
53.447
54.223
55.008
55.806
56.636
57.523
58.483
59.537
60.691
CP
(GIBBS/HOLE)
-1.496
-0.230
1.120
1.441
1.535
1.560
1.574
1.614
1.698
1.826
1.992
2.180
2.375
S
(GIBBS/HOLE)
-5.688
-6.155
-5.779
-5.253
-4.822
-4.476
-4.191
-3.946
-3.725
-3.518
-3.317
-3.120
-2.921
LOG KC
(C IN
MOLE/CO
-39.285
-23.953
-12.635
-8.824
-6.893
-5.717
-4.923
-4.346
-3.906
-3.560
-3.280
-3.057
-2.954
PARAMETERS FOR KC
LOG A B C
0.210 0.04 -7.662
STD ERROR OF ESTIMATE
0.005
PARAMETERS FOR KC
LOG A B C
-2.240 0.31 51.903
STD ERROR OF ESTIMATE
0.014
X175.
CH20 + HNO
CH3
N02
X176.
CH20 + HNO
CH30 + NO
THERHOCHEMICAL DATA
THERHOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
44.880
45.169
45.551
45.592
45.553
45.507
45.464
45.431
45.403
45.380
45.361
45.345
45.333
CP
(GIBBS/HOLE)
1.345
1.340
0.287
-0.042
-0.095
-0.089
-0.075
-0.062
-0.051
-0.042
-0.034
-0.029
-0.021
S
(GIBBS/HOLE)
-1.266
-0.524
0.049
0.086
0.064
0.043
0.028
0.018
0.011
0.005
0.001
-0.003
-0.004
LOG KC
(C IN
HOLE/CO
-33.173
-19.858
-9.945
-6.623
-4.964
-3.969
-3.307
-2.834
-2.479
-2.203
-1.983
-1.802
-1.652
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
26.730
26.637
26.668
26.890
27.230
27.643
28.106
28.608
29.137
29.691
30.264
30.856
31.464
CP
(GIBBS/MOLE)
-0.644
-0.259
0.292
0.578
0.761
0.884
0.969
1.032
1.084
1.127
1.166
1.201
1.233
S
(GIBBS/HOLE)
-1.391
-1.637
-1.614
-1.439
-1.245
-1.061
-0.892
-0.737
-0.597
-0.467
-0.345
-0.233
-0.127
LOG KC
(C IN
HOLE/CO
-19.899
-12.001
-6.182
-4.232
-3.248
-2.649
-2.244
-1.948
-1.722
-1.544
-1.400
-1.289
-1.283
PARAMETERS FOR KC
LOG A B C
-0.746 0.20 44.880
STD ERROR OF ESTIMATE = 0.008
PARAMETERS FOR KC
LOG A B C
-0.612 0.08 26.730
STO ERROR OF ESTIMATE = 0.008
-------
4-46
X177.
CH20 * HO
CH3 + 02
X178.
CH20 + HO
CH30 + 0
THERHOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEC Kl
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
51.278
51.429
51.670
51.766
51.847
51.975
52.171
52.439
52.762
53.126
53.514
53.908
54.303
CP
(GIBBS/MOLE)
0.640
u.731
0.277
0.147
0.196
0.322
0.468
U.595
0.693
0.757
0.787
0.792
0.782
PARAMETERS FOR
LOG A
-0.555
B
U.15
STD ERROR OF ESTIMATE
X179.
T
IOEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
CH20 + H02
THERMO
H
(KCAL/MOLE)
23.950
23.842
23.964
24.352
24.878
25.527
26.294
27.172
28.139
29.179
30.270
31.401
32.560
S
(GIBBS/MOLE)
-0.757
-0.370
-0.017
0.062
0.107
0.163
0.236
0.317
0.404
0.490
0.571
0.646
u.716
KC
C
51.278
0.002
LOG KC
(C IN
MOLE/CC )
-37.751
-22.560
-11.297
-7.528
-5.643
-4.508
-3.750
-3.206
-2.795
-2.473
-2.215
-2.001
-1.822
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
79.017
78.857
79.218
79.973
80.826
81.695
82.560
83.424
84.287
85.155
86.027
86.903
87.779
CP S
(GIBBS/MOLE) (GIBBS/MOLE)
-1.428
-0.178
1.290
1.652
1.732
1.737
1.728
1.724
1.730
1.741
1.749
1.754
1.751
-4.422
-4.859
-4.415
-3.808
-3.319
-2.932
-2.615
-2.349
-2.119
-1.914
-1.730
-1.564
-1.410
LOG KC
(C IN
MOLE/CC)
-58.887
-35.529
-18.279
-12.483
-9.558
-7.782
-6.587
-5.723
-5.068
-4.554
-4.139
-3.807
-3.615
PARAMETERS FOR KC
LOG A
-2.140
B
0.37
STD ERROR OF ESTIMATE =
CH30 + 02
X180.
CHEMICAL DATA
CP
(GIBBS/HOLE)
-0.816
-0.252
0.594
0.925
1.174
1.420
1.652
1.850
2.013
2.137
2.226
2.293
2.341
S
(GIBBS/MOLE)
-4.388
-4.677
-4.540
-4.231
-3.930
-3.642
-3.362
-3.092
-2.834
-2.589
-2.359
-2.144
-1.941
LOG KC
(C IN
MOLE/CC)
-18.516
-11.443
-6.231
-4.472
-3.578
-3.028
-2.651
-2.373
-2.157
-1.983
-1.840
-1.729
-1.719
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
CH20 + H2
» CH3
C
79.017
0.015
+ HO
THERMOCHEMICAL DATA
H
(KCAL/MOLE)
70.262
70.417
70.290
69.986
69.729
69.517
69.321
69.125
68.904
68.650
68.358
68.026
67.659
CP
S
(GIBBS/MOLE) (GIBBS/HOLE)
1.062
0.417
-0.614
-0.577
-0.456
-0.402
-0.382
-0.411
-0.473
-0.548
-0.623
-0.701
-0.772
6.793
7.204
7.071
6.822
6.675
6. 580
6.508
6.448
6.390
6.330
6.269
6.204
6.141
LOG KC
(C IN
MOLE/CC)
-50.017
-29.204
-13.817
-8.706
-6.161
-4.640
-3.628
-2.908
-2.369
-1.951
-1.619
-1.347
-1.122
PARAMETERS FOR KC
LOG A B C
-1.562 0.18 23.9SO
STD ERROR OF ESTIMATE
0.011
PARAMETERS FOR KC
LOG A B C
1.857 -0.10 70.262
STD ERROR OF ESTIMATE - 0.005
-------
4-47
X181.
CH20 * H2
« CH30 + H
X182.
CH20 + H2
= CH4 + 0
THERMOCHEHICAL DATA
THERHOCHEHICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
81.050
80.881
81.246
82.068
82.977
83.862
84.695
85.469
86.167
86.787
87.328
87.794
88.184
CF>
(GIBBS/HOLE)
-1.422
-0.229
1.372
1.785
1.813
1.722
1.613
1.474
1.319
1.160
1.006
0.854
0.707
S
(GIBBS/HOLE)
-2.825
-3.284
-2.841
-2.181
-1.658
-1.262
-0.959
-0.720
-0.533
-0.386
-0.272
-0.184
-0.115
LOG KC
(C IN
HOLE/CO
-60.028
-36.069
-18.378
-12.433
-9.429
-7.607
-6.380
-5.495
-4.824
-4.299
-3.878
-3.541
-3.346
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
67.614
67.309
67.025
67.325
67.886
68.539
69.213
69.888
70.538
71.158
71.745
72.294
72.806
CP
(GIBBS/HOLE)
-1.598
-1.296
0.123
0.937
1.250
1.340
1.359
1.329
1.271
1.206
1.137
1.062
0.984
S
(GIBBS/HOLE)
-0.511
-1.299
-1.748
-1.518
-1.197
-0.907
-0.660
-0.452
-0.278
-0.132
-0.008
0.096
0.186
LOG KC
(C IN
HOLE/CO
-49.671
-29.703
-15.031
-10.140
-7.680
-6.190
-5.187
-4.463
-3.915
-3.485
-3.138
-2.851
-2.611
PARAMETERS FOR KC
LOG A B C
-1.860 0.39 81.050
STO ERROR OF ESTIMATE
0.016
PARAMETERS FOR KC
LOG A B C
-0.208 -0.02 67.614
STD ERROR OF ESTIMATE
U.018
X183.
CH20 + H20
- CH3 + H02
X184.
CH20 + H20
CH30 + HO
THERHOCHEHICAL DATA
THERMOCHEMICAL DATA
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
123.568
123.839
124.393
124.679
124.807
124.825
124.759
124.626
124.438
124.206
123.934
123.623
123.278
CP
(GIBBS/HOLE)
1.100
1.419
0.787
0.393
0.134
-0.056
-0.204
-0.323
-0.423
-0.507
-0.580
-0.657
-0.731
S
(GIBBS/HOLE)
3.397
4.085
f.879
5.116
5.192
5.200
5.176
5.136
5.086
5.031
».974
4.914
4.855
LOG KC
(C IN
HOLE/CCI
-89.832
-53.236
-26.120
-17.047
-12.503
-9.776
-7.958
-6.660
-5.688
-4.932
-4.331
-3.838
-3.430
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
96.240
96.252
96.687
97.265
97.838
98.377
98.882
99.359
99.815
100.259
100.690
101.116
101.535
CP
(GIBBS/HOLE)
-0.356
0.436
1.104
1.171
1.112
1.042
0.980
0.932
0.897
0.873
0.859
U.844
0.828
S
(GIBBS/HOLE)
-0.234
-0.222
0.356
0.823
1.155
1.395
1.578
1.727
1.848
1.952
2.044
2.124
2.198
LOG KC
(C IN
HOLE/CO
-70.597
-42.119
-21.054
-13.991
-10.438
-8.296
-6.859
-5.827
-5.050
-4.442
-3.956
-3.566
-3.327
PARAHETERS FOR KC
LOG A B C
-0.097 0.33 123.568
STD ERROR OF ESTIMATE
0.007
PARAHETERS FOR KC
LOG A B C
-1.105 0.36 96.240
STD ERROR OF ESTIHATE
0.006
-------
4-48
X18S.
CH20 + H20
CH4
02
X186.
CH20 + N
CN
H20
THERHOCHEHICAL DATA
THERMOCHEMICAL DATA
T
(DEG K)
296
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
65.853
65.716
65.874
66.397
67.016
67.679
68.385
69.137
69.924
70.738
71.564
72.389
73.206
CP S
(GIBBS/HOLE) (GIBBS/HOLE)
-0.948 -3.873
-0.368
U.828
1.180
1.282
1.369
1.461
1.543
1.604
1.643
1.657
1.645
1.615
PARAMETERS FOR
LOG A B
-1.586 0.22
STD ERROR OF ESTIMATE
X187.
CH20 + 0
- CO
-4.236
-4.065
-3.647
-3.291
-2.997
-2.739
-2.507
-2.297
-2.106
-1.932
-1.774
-1.631
KC
C
65.853
0.012
* H20
LOG KC
(C IN
HOLE/CCI
-49.115
-29.649
-15.286
-10.470
-8.042
-6.572
-5.581
-4.865
-4.323
-3.895
-3.551
-3.264
-3.023
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H CP
(KCAL/MOLE) (GIBBS/MOLE)
-40.813 1.564
-40.638
-41.195
-42.279
-43.318
-44.107
-44.596
-44.822
-44.874
-44.847
-44.818
-44.848
-44.967
0.142
-1.938
-2.226
-1.861
-1.273
-0.686
-0.240
0.016
0.094
0.030
-0.115
-0.301
PARAMETERS FOR
LOG A B
2.627 -0.52
X188.
THERHOCHEHICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-117.824
-117.688
-118.304
-119.436
-120.577
-121.624
-122.578
-123.456
-124.281
-125.067
-125.822
-126.554
-127.256
CP
(GIBBS/HOLE)
1.292
-0.005
-2.034
-2.345
-2.195
-1.994
-1.824
-1.698
-1.606
-1.540
-1.488
-1.435
-1.374
S
(GIBBS/HOLE)
1.591
1.967
1.195
0.281
-0.376
-0.845
-1.193
-1.465
-1.684
-1.869
-2.029
-2.169
-2.291
LOG KC
(C IN
MOLE/CC)
86.712
51.869
26.115
17.462
13.093
10.447
a. 667
7.387
0.422
5.665
5.055
4.555
4.136
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
STO ERROR
CH20 + 0
OF ESTIMATE
S
(GIBBS/MOLE)
t.637
5.115
<».427
3.551
2.952
2.597
2.419
2.349
2.337
2.344
2.352
2.349
2.331
KC
C
-40.813
0.016
LOG KC
(C IN
MQLE/CCI
30.925
18.877
9.968
6.935
5.377
4.421
3.775
3.309
2.960
2.687
2.470
2.293
2.144
= C02 -r H2
THERHOCHEHICAL DATA
H CP
(KCAL/MOLE) (GIBBS/MOLE)
-127.663 2.068
-127.206
-126.608
-126.637
-126.843
-127.059
-127.231
-127.345
-127.387
-127.354
-127.245
-127.056
-126.775
2.118
0.383
-0.322
-0.454
-0.394
-0.291
-0.160
-0.009
u.142
0.292
0.469
0.654
S
(GIBBS/MOLE)
-8.449
-7.280
-6.379
-6.393
-6.510
-6.607
-6.671
-6.706
-6.717
-6.710
-6.687
-6.651
-6.602
LOG KC
(C IN
MOLE/CC)
91.730
54.008
26.274
17.053
12.437
9.663
7.809
6.485
5.492
4.719
4.099
3.595
3.175
PARAMETERS FOR KC
LOG A B C
2.140 -0.58 -117.824
STD ERROR OF ESTIMATE " 0.018
PARAMETERS FOR KC
LOG A B C
-2.480 0.28 -127.663
STD ERROR OF ESTIMATE ' U.016
-------
4-49
X1B9.
CH20 + 02
C02
H20
X190.
CH3
C02
CH30 + CO
THERMOCHEHICAL DATA
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-125.902
-125.613
-125.457
-125.709
-125.973
-126.199
-126.403
-126.594
-126.773
-126.934
-127.064
-127.151
-127.175
CP
(GIBBS/HOLE)
1.418
1.190
-0.322
-0.565
-0.486
-0.423
-0.393
-0.374
-0.342
-0.295
-0.228
-0.114
0.023
S
(GIBBS/HOLE)
-5.087
-4.343
-4.062
-4.264
-4.416
-4.517
-4.592
-4.651
-4.698
-4.736
-4.763
-4.781
-4.785
LOG KC
(C IN
MOLE/CO
91.174
53.954
26.529
17.383
12.799
10.045
8.203
6.887
5.900
3.129
4.512
4.008
3.587
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
35.817
35.353
34.701
34.480
34.375
34.295
34.214
34.123
34.017
33.896
33.755
33.592
33.395
CP
(GIBBS/MOLE)
-2.194
-2.104
-0.699
-0.275
-0.173
-0.156
-0.171
-0.195
-0.227
-0.261
-0.298
-0.359
-0.428
S
(GIBBS/HOLE)
3.013
1.821
0.859
0.675
0.614
U.577
0.548
0.520
0.491
u.463
0.433
0.402
0.368
LOG KC
(C IN
HOLE/CO
-25.598
-15.054
-7.396
-4.876
-3.621
-2.872
-2.373
-2.017
-1.751
-1.545
-1.381
-1.259
-1.244
PARAMETERS FOR KC
LOG A 8 C
-1.102 0.04 -125.902
STO ERROR OF ESTIMATE
U.010
PARAMETERS FOR KC
LOG A B C
1.658 -0.41 35.817
STD ERROR 3F ESTIMATE
0.009
X191.
CH3 + H
CH4
X192.
CH3
HN
CH4
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-104.815
-105.884
-107.467
-108.040
-108.152
-108.041
-107.809
-107.504
-107.152
-106.768
-106.362
-105.941
-105.508
CP
(GIBBS/MOLE)
-5.698
-4.707
-1.898
-0.569
0.046
0.366
U.549
0.664
0.739
0.792
0.829
0.857
0.876
S
(GIBBS/HOLE)
-29.283
-32.044
-34.351
-34.835
-34.903
-34.856
-34.771
-34.677
-34.584
-34.494
-34.408
-34.327
-34.252
LOG KC
(C IN
MOLE/CC)
74.817
43.890
20.893
13.218
9.405
7.139
5.645
4.593
3.812
3.214
2.743
2.362
2.050
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-29.762
-30.233
-30.443
-29.939
-29.222
-28.450
-27.660
-26.855
-26.017
-25.124
-24.157
-23.098
-21.941
CP
(GIBBS/HOLE)
-2.728
-1.765
0.567
1.303
1.509
1.565
1.587
1.630
1.712
1.839
2.003
2.189
2.380
S
(GIBBS/MOLE)
-8.570
-9.799
-10.183
-9.785
-9.375
-9.031
-8.744
-8.497
-8.274
-8.066
-7.864
-7.664
-7.466
LOG KC
(C IN
MOLE/CC)
19.948
11.077
4.430
2.225
1.146
0.515
0.105
-0.178
-0.384
-0.540
-0.660
-0.754
-0.828
PARAMETERS FOR KC
LOG A 8 C
-2.180 0.04 -104.815
STO ERROR OF ESTIMATE = 0.028
PARAMETERS FOR KC
LOG A B C
-2.166 0.02 -29.762
STD ERROR OF ESTIMATE
0.023
-------
4-50
X193.
CH3 + HNO
CH30 + HN
X194.
CHS
HNO
CH4 + NO
THERMOCHEMICAL DATA
THERHOCHEHICAL DATA
T
(DEC K)
298
sop
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
34.392
34.130
34.051
34.363
34.828
35.375
35.979
36.630
37.321
38.048
38.809
39.606
40.433
CP
(GIBBS/HOLE)
-1.598
-0.907
0.367
0.814
1.023
1.157
1.258
1.342
1.419
1.490
1.558
1.625
1.686
S
(GIBBS/MOLE)
-2.565
-3.250
-3.410
-3.164
-2.898
-2.654
-2.434
-2.233
-2.051
-1.879
-1.718
-1.566
-1.422
LOG KC
1C IN
MOLE/CCI
-25.775
-15.630
-8.188
-5.698
-4.439
-3.672
-3.154
-2.775
-2.487
-2.258
-2.072
-1.928
-1.892
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
PARAMETERS FOR KC
LOG A B C
-0.822 0.04 34.392
STO ERROR OF ESTIMATE
X195.
CH3 * HO
0.013
H
(KCAL/MOLE)
-54.935
-55.328
-55.815
-55.744
-55.439
-55.030
-54.562
-54.053
-53.516
-52.956
-52.376
-51.779
-51.168
CP
(GIBBS/MOLE)
-1.876
-1.794
-0.261
0.440
0.735
0.889
0.982
1.048
1.096
1.140
1.177
1.210
1.238
PARAMETERS FOR
LOG A B
-0.537 -0.20
STO ERROR OF ESTIMATE
CH30 + H
X196.
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
10.788
10.464
10.956
12.082
13.248
14.345
15.374
16.344
17.263
18.137
18.970
19.768
20.525
CP
(GIBBS/MOLE)
-2.484
-0.646
1.986
2.362
2.269
2.124
1.995
1.885
1.792
1.708
1.629
1.555
1.479
S
(GIBBS/MOLE)
-9.618
-10.488
-9.912
-9.003
-8.333
-7.842
-7.467
-7.168
-6.923
-6.716
-6.541
-6.388
-6.256
LOG KC
1C IN
HOLE/CO
-10.011
-6.865
-4.561
-3.727
-3.268
-2.967
-2.752
-2.587
-2.455
-2.348
-2.259
-2.194
-2.224
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
CH3 + HO
S
(GIBBS/MOLE)
-4.273
-5.281
-6.018
-5.971
-5.798
-5.616
-5.445
-5.288
-5.146
-5.015
-4.892
-4.777
-4.672
KC
C
-54.935
0.016
LOG KC
(C IN
MOLE/CO
39.334
23.029
10.883
b.817
4.791
3.583
2.784
2.220
1.800
1.476
1.220
1.014
0.843
= CH4 + 0
THERMOCHEMICAL DATA
H
(KCAL/MOLE)
-2.648
-3.108
-3.265
-2.661
-1.843
-0.978
-0.108
0.763
1.634
2.508
3.387
4.268
5.147
CP
(GIBBS/HOLE)
-2.660
-1.713
0.737
1.514
1.706
1.742
1.741
1.740
1.744
1.754
1.760
1.763
1.756
S
(GIBBS/HOLE)
-7.304
-8.503
-8.819
-8.340
-7.872
-7.487
-7.168
-6.900
-6.668
-6.462
-6.277
-6.108
-5.955
LOG KC
(C IN
MOLE/CO
0.346
-0.499
-1.214
-1.434
-1.519
-1.550
-1.559
-1.555
-1.546
-1.534
-1.519
-1.504
-1.489
PARAMETERS FOR KC
LOG A B C
-3.718 0.49 10.788
STD ERROR OF ESTIMATE = 0.021
PARAMETERS FOR KC
LOG A B C
-2.066 0.08 -2.648
STD ERROR OF ESTIMATE - 0.024
-------
4-51
X197.
CH3 + H02
* CH30 + HO
X198.
CH3
H02
CH4
02
THERMOCHEHICAL DATA
THERMDCHEMICAL DATA
T
(DEC K)
296
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-27.328
-27.587
-27.706
-27.414
-26.969
-26.448
-25.877
-25.267
-24.623
-23.947
-23.244
-22.507
-21.743
CP
(GIBBS/HOLE)
-1.456
-0.983
0.317
0.778
0.978
1.098
1.184
1.255
1.320
1.380
1.439
1.501
1.559
PARAMETERS FOR
LOG A B
-1.007 0.02
STD ERROR OF ESTIMATE
X199.
CH3 * H2
S
(GIBBS/HOLE)
-3.631
-4.307
-4.523
-4.293
-4.037
-3.805
-3.598
-3.409
-3.238
-3.079
-2.930
-2.790
-2.657
KC
C
-27.328
0.014
LOG KC
(C IN
MOLE/CO
19.235
11.117
5.066
3.056
2.065
1.480
1.099
0.833
0.638
0.490
0.375
u.272
0.103
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
IKCAL/MOLE)
-57.715
-58.123
-58.519
-58.282
-57.791
-57.146
-56.374
-55.489
-54.514
-53.468
-52.370
-51.234
-50.072
CP
(GIBBS/MOLE)
-2.048
-1.787
0.041
0.787
1.148
1.425
1.665
1.866
2.027
1.150
2.237
2.302
2.346
PARAMETERS FOR
LOG A B
-1.488 -0.10
STD ERROR OF ESTIMATE
- CH4 + H
X200.
THERMOCHEHICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-0.615
-1.084
-1.237
-0.566
0.308
1.189
2.027
2.808
a. 514
4.140
4.688
5.159
5.552
CP
(GIBBS/MOLE)
-2.654
-1.764
0.819
1.647
1.787
1.727
1.626
1.490
1.333
1.173
1.017
0.863
0.712
S
(GIBBS/MOLE)
-5.707
-6.928
-7.245
-6.713
-6.211
-5.817
-5.512
-5.271
-5.082
-4.934
-4.819
-4.728
-4.660
LOG KC
(C IN
MOLE/CC)
-0.795
-1.039
-1.313
-1.384
-1.390
-1.375
-1.352
-1.327
-1.302
-1.279
-1.258
-1.238
-1.220
T
(DEC K)
298
SOO
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
CH3 + H20
THERMO
H
(KCAL/MOLE)
25.978
25.835
26.397
27.279
28.109
28.860
29.561
30.234
30.911
31.609
32.332
33.090
33.876
S
(GIBBS/MOLE)
-7.270
-8.321
-8.944
-8.763
-8.483
-8.197
-7.915
-7.643
-7.383
-7.137
-6.906
-6.688
-6.486
KC
C
-57.715
U.020
LOG KC
(C IN
MOLE/CC)
40.717
23.587
10.834
6.577
f .461
3.204
^.377
1.795
1.365
1.037
0.780
0.574
0.407
= CH30 + H2
CHEMICAL DATA
CP
(GIBbS/HOLE)
-1.418
0.019
1.718
1.748
1.568
1.444
1.362
1.343
1.370
1.421
1.482
1.545
1.600
S
(GIBBS/MOLE)
-7.027
-7.426
-6.715
-5.999
-5.520
-5.185
-4.930
-4.721
-4.542
-4.378
-4.225
-4.080
-3.943
LOG KC
(C IN
MOLE/CC)
-20.580
-12.915
-7.237
-5.285
-4.277
-3.656
-3.231
-2.919
-2.681
-2.491
-2.337
-2.219
-2.205
PARAMETERS FOR KC
LOG A B C
-1.786 0.10 -0.615
STD ERROR OF ESTIMATE = 0.025
PARAMETERS FOR KC
LOG A B C
-2.963 0.46 25.978
STD ERROR OF ESTIMATE » 0.011
-------
4-52
X201.
CH3
H20
CH4
HO
X202.
CH3 + NO
= CH30 + N
THERMOCHEMICAL DATA
THERHOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
IK.CAL/HOLE)
14.575
14.287
14.204
14.631
15.169
15.704
16.214
16.698
17.162
17.612
18.050
18.481
18.903
CP
(GIBBS/HOLE)
-1.568
-1.099
0.551
1.033
1.086
1.047
0.993
0.948
0.911
0.686
0.870
0.653
0.833
S
(GIBBS/HOLE)
-3.116
-3.666
-4.048
-3.709
-3.398
-3.160
-2.975
-2.824
-2.701
-2.596
-2.503
-2.420
-2.347
LOG KC
(C IN
MOLE/CO
-11.364
-7.089
-3.989
-2.942
-2.399
-2.064
-1.831
-1.659
-1.528
-1.422
-1.336
-1.263
-1.201
T
(OES K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
59.565
59.225
59.423
60.168
61.045
61.955
62.881
63.828
64.820
65.880
67.028
68.287
69.660
CP
(GIBBS/HOLE)
-2.450
-0.878
1.195
1.677
1.797
1.833
1.863
1.924
2.033
2.189
2.384
2.604
2.828
S
(GIBBS/HOLE)
-6.862
-7.768
-7.575
-6.978
-6.475
-6.069
-5.733
-5.442
-5.179
-4.930
-4.690
-4.453
-4.216
LOG KC
(C IN
MOLE/CO
-45.161
-27.582
-14.641
-10.290
-8.084
-6.740
-5.833
-5.173
-4.671
-4.274
-3.952
-3.696
-3.563
PARAMETERS FOR KC
LOG A B C
-1.030 0.07 14.575
STD ERROR OF ESTIMATE
0.015
PARAMETERS FOR KC
LOG A B C
-2.451 0.27 59.565
STD ERROR OF ESTIMATE
0.020
X203.
CH3
N02
» CH30 + NO
X204.
CHS
N20
CH30 + N2
THERMOCHEMICAL DATA
THERHOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-18.150
-18.532
-18.863
-18.702
-18.323
-17.864
-17.358
-16.823
-16.266
-15.689
-15.097
-14.469
-13.869
CP
(GIBBS/MOLE)
-1.989
-1.599
0.005
0.620
0.856
0.973
1.044
1.094
1.135
1.169
1.200
1.230
1.254
S
(GIBBS/MOLE)
-0.125
-1.113
-1.663
-1.525
-1.309
-1.104
-0.920
-0.755
-0.606
-0.472
-0.346
-0.230
-0.123
LOG KC
(C IN
HOLE/CO
13.274
7.857
3.763
2.391
1.716
1.320
1.063
0.886
0.757
0.659
0.563
0.513
0.369
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-51.430
-51.962
-52.769
-53.075
-53.196
-53.241
-53.244
-53.221
-53.176
-53.113
-53.035
-52.936
-52.822
CP
(GIBBS/MOLE)
-2.554
-2.443
-0.948
-0.370
-0.149
-0.041
0.023
0.070
0.109
0.142
U.176
0.213
0.251
S
(GIBBS/MOLE)
0.095
-1.273
-2.451
-2.707
-2.778
-2.799
-2.800
-2.793
-2.782
-2.767
-2.750
-2.731
-2.711
LOG KC
(C IN
HOLE/CO
37.716
22.434
10.996
7.141
5.206
4.043
3.266
2.713
2.298
1.975
1.717
1.494
1.223
PARAMETERS FOR KC
LOG A B C
0.134 -0.11 -18.150
STD ERROR OF ESTIMATE
0.016
PARAMETERS FOR KC
LOG A B C
1.231 -0.49 -51.430
STD ERROR OF ESTIMATE
0.011
-------
4-53
xzos.
CHS + 0
+ M
CH30
X206.
CH3
02
CH30 + 0
THERHOCHEMICAL DATA
THERHOCHEHICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-91.379
-92.312
-93.246
-93.297
-93.061
-92.718
-92.327
-91.923
-91.523
-91.139
-90.779
-90.441
-90.130
CP
(GIBBS/MOLE)
-5.522
-3.640
-0.649
0.279
0.609
0.748
0.803
0.809
0.787
0.746
0.698
0.649
0.599
S
(GIBBS/MOLE)
-31.597
-34.029
-35.444
-35.498
-35.364
-35.211
-35.070
-34.945
-34.839
-34.748
-34.672
-34.607
-34.553
LOG KC
(C IN
HOLE/CO
64.460
37.524
17.546
10.925
7.656
5.722
4.452
3.561
2.903
2.400
2.003
1.672
1.315
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
27.739
27.428
27.548
28.207
28.979
29.720
30.389
30.985
31.525
32.029
32.513
32.995
33.476
CP
(GIBBS/HOLE)
-2.068
-0.909
1.013
i.505
1.536
1.415
1.260
1.129
1.037
0.984
0.962
0.962
0.969
S
(GIBBS/MOLE)
-3.665
-4.489
-4.398
-3.870
-3.426
-3.095
-2.851
-2.666
-2.523
-2.404
-2.301
-2.210
-2.126
LOG KC
(C IN
HOLE/CO
-21.136
-12.969
-6.982
-4.955
-3.915
-3.274
-2.837
-2.517
-2.273
-2.081
-1.924
-1.806
-1.793
PARAMETERS FOR KC
LOG A B C
-3.833 0.46 -91.379
STD ERROR DF ESTIMATE
0.025
PARAMETERS FOR KC
LOG A B C
-1.585 0.21 27.739
STD ERROR OF ESTIMATE
0.017
X207.
CH30 + H
CH4
X208.
CH30 -I- HN
CH4
NO
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-13.436
-13.572
-14.221
-14.743
-15.091
-15.323
-15.482
-15.581
-15.629
-15.629
-15.583
-15.500
-15.378
CP
(GIBBS/MOLE)
-0.176
-1.067
-1.249
-0.848
-0.563
-0.382
-0.254
-0.145
-0.048
0.046
0.131
0.208
0.277
S
(GIBBS/MOLE)
2.314
1.985
1.093
0.663
0.461
0.355
0.299
0.268
0.255
0.254
0.264
0.280
0.301
LOG KC
(C IN
MOLE/CO
10.357
6.366
3.347
2.293
1.749
1.417
1.193
1.032
0.909
0.814
0.740
0.690
0.735
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-89.327
-89.458
-89.866
-90.107
-90.267
-90.405
-90.541
-90.683
-90.837
-91.004
-91.185
-91.385
-91.601
CP
(GIBBS/HOLE)
-0.278
-0.887
-0.628
-0.374
-0.288
-0.268
-0.276
-0.294
-0.321
-0.350
-0.381
-0.415
-0.448
S
(GIBBS/MOLE)
-1.708
-2.031
-2.608
-2.807
-2.900
-2.962
-3.011
-3.055
-3.095
-3.136
-3.174
-3.211
-3.250
LOG KC
(C IN
MOLE/CO
65.109
38.659
19.071
12.515
9.230
7.255
5.938
4.995
t.287
3.734
3.292
2.942
2.735
PARAMETERS FOR KC
LOG A B C
1.652 -0.41 -13.436
STD ERROR OF ESTIMATE = 0.002
PARAMETERS FOR KC
LOG A B C
0.284 -0.24 -89.327
STD ERROR OF ESTIMATE = 0.002
-------
4-54
X209.
CH30 + HNO
CH4
N02
X210.
CH30 + HO
CH4
02
THERHOCHEHICAL DATA
THERMOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-36.785
-36.796
-36.932
-37.042
-37.116
-37.166
-37.204
-37.230
-37.250
-37.267
-37.279
-37.290
-37.299
CP
(GIBBS/HOLE)
0.113
-0.195
-0.266
-0.180
-0.121
-0.084
-0.062
-0.046
-0.037
-0.029
-0.023
-0.020
-0.016
S
(GIBBS/HOLE)
-4.148
-4.168
-4.355
-4.446
-4.489
-4.512
-4.525
-4.533
-4.538
-4.543
-4.546
-4.547
-4.549
LOG KC
(C IN
HOLE/CO
26.060
15.172
7.120
4.426
3.075
2.263
1.721
1.334
1.043
0.817
0.637
0.501
0.474
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-30.387
-30.536
-30.813
-30.868
-30.822
-30.698
-30.497
-30.222
-29.891
-29.521
-29.126
-28.727
-28.329
CP
(GIBBS/HOLE)
-0.592
-0.804
-0.276
0.009
U.170
0.327
0.481
0.611
0.707
0.770
0.798
u.801
0.787
S
(GIBBS/MOLE)
-3.639
-4.014
-4.421
-4.470
-4.446
-4.392
-4.317
-4.234
-4.145
-4.058
-3.976
-3.898
-3.829
LOG KC
(C IN
HOLE/CO
21.482
12.470
5.768
3.521
2.396
1.724
1.278
0.962
0.727
0.547
0.405
0.302
0.304
PARAMETERS FOR KC
LOG A B C
-0.672 -0.08 -36.785
STD ERROR OF ESTIMATE = 0.000
PARAMETERS FOR KC
LOG A B C
-0.480 -0.13 -30.387
STO ERROR OF ESTIMATE
0.006
X211.
CH30 * H2
CH4
HO
X212.
CH30 + H20
CH4
H02
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-11.403
-11.548
-12.193
-12.648
-12.940
-13.156
-13.347
-13.536
-13.749
-13.997
-14.282
-14.609
-14.973
CP
(GIBBS/MOLE)
-0.170
-1.118
-1.167
-0.715
-0.482
-0.397
-0.369
-0.395
-0.459
-0.535
-0.612
-0.692
-0.767
S
(GIBBS/HOLE)
3.911
3.560
2.667
2.290
2.122
2.025
1.955
1.897
1.841
1.782
1.722
1.660
1.596
LOG KC
(C IN
MOLE/CO
9.216
5.826
3.248
2.343
1.876
1.592
1.400
1.260
1.153
1.069
1.001
0.956
1.004
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
41.903
41.874
41.910
42.045
42.138
42.152
42.091
41.965
41.785
41.559
41.294
40.988
40.646
CP
(GIBBS/MOLE)
-0.132
-0.116
0.234
0.255
0.108
-0.051
-0.191
-0.307
-0.409
-0.494
-0.569
-0.648
-0.726
S
(GIBBS/MOLE)
0.515
0.441
0.475
0.584
0.639
0.645
0.623
0.585
0.537
0.483
0.427
0.370
0.310
LOG KC
(C IN
MOLE/CO
-30.599
-18.206
-9.055
-5.998
-4.464
-3.544
-2.930
-2.492
-2.166
-1.912
-1.711
-1.535
-1.304
PARAMETERS FOR KC
LOG A B C
1.932 -0.39 -11.403
PARAMETERS FOR KC
LOG A B C
-0.023 0.04 41.903
STO ERROR OF ESTIMATE
0.003
STD ERROR OF ESTIMATE
0.001
-------
4-55
X213.
CN + HO
CO
HN
X214.
CN
H02
CO
HNO
THERHOCHEHICAL DATA
THERHOCHEHICAL DATA
T
IOEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-49.897
-49.925
-49.931
-49.879
-49.880
-50.045
-50.430
-51.016
-51.756
-52.588
-53.460
-54.340
-55.201
CP
(GIBBS/MOLE)
-0.204
-0.095
U.074
0.092
-0.137
-0.544
-0.984
-1.348
-1.590
-1.719
-1.761
-1.746
-1.697
PARAMETERS FOR
LOG A B
-0.386 -0.00
STD ERROR OF ESTIMATE
X215.
CN + H02
S
(GIBBS/MOLE)
-1.780
-1.852
-1.868
-1.825
-1.825
-1.898
-2.036
-2.217
-2.415
-2.609
-2.794
-2.962
-3.111
KC
C
-49.897
0.002
LOG KC
(C IN
MOLE/CO
36.185
21.416
10.503
e.868
5.051
3.961
3.228
^.701
2.300
1.984
1.726
1.512
1.331
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-111.617
-111.642
-111.688
-111.656
-111.677
-111.868
-112.286
-112.913
-113.700
-114.583
-115.513
-116.453
-117.377
CP
(GIBBS/MOLE)
-0.062
-0.171
0.024
0.056
-0.182
-0.603
-1.058
-1.435
-1.689
-1.829
-1.880
-1.870
-1.824
PARAMETERS FOR
LOG A B
-0.571 -0.02
STD ERROR OF ESTIMATE
= C02 * HN
X216.
THERHOCHEMICAL DATA
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-113.042
-112.865
-112.338
-111.773
-111.224
-110.788
-110.521
-110.406
-110.396
-110.431
-110.459
-110.439
-110.339
CP
(GIBBS/HOLE)
0.534
1.026
1.090
1.145
1.014
0.710
0.371
0.102
-0.043
-0.078
-0.024
0.114
0.290
S
(GIBBS/MOLE)
-8.424
-7.980
-7.250
-6.793
-6.476
-6.280
-6.182
-6.146
-6.144
-6.151
-6.157
-6.154
-6.136
LOG KC
(C IN
HOLE/CO
81.018
47.587
22.965
14.800
10.737
8.313
6.700
5. 551
4.689
4.019
3.482
3.043
2.678
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
CN « NO
. CO
S
(GIBBS/MOLE)
-2.846
-2.909
-2.981
-2.954
-2.964
-3.049
-3.200
-3.393
-3.602
-3.809
-4.006
-4.186
-4.346
KC
C
-111.617
0.001
* N2
LOG KC
(C IN
MOLE/CO
81.195
48.163
23.757
15.622
11.555
9.113
7.481
6.309
5.425
4.732
4.173
3.712
3.326
THERHOCHEMICAL DATA
H
(KCAL/MOLE)
-151.997
-152.035
-152.214
-152.384
-152.577
-152.900
-153.422
-154.135
-154.992
-155.935
-156.917
-157.900
-158.857
CP
(GIBBS/HOLE)
-0.175
-0.252
-0.373
-0.327
-0.483
-0.836
-1.245
-1.588
-1.819
-1.941
-1.974
-1.947
-1.879
S
(GIBBS/HOLE)
-5.769
-5.867
-6.110
-6.248
-6.357
-6.501
-6.690
-6.910
-7.138
-7.359
-7.567
-7.755
-7.921
LOG KC
(C IN
MOLE/CO
110.154
65.171
31.930
20.836
15.283
11.946
9.714
0.114
6.908
5.965
5.205
..580
4.056
PARAMETERS FOR KC
LOG A B C
-3.052 0.43 -113.042
PARAMETERS FOR KC
LOG A B C
-0.870 -0.13 -151.997
STO ERROR OF ESTIMATE
0.003
STD ERROR OF ESTIMATE
0.003
-------
4-56
X2I7.
CN
N02
CO
N20
X218.
CN + N02
C02 + N2
THERMOCHEHICAL DATA
THERHOCHEHICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-118.717
-118.605
-118.328
-118.011
-117.704
-117.523
-117.536
-117.737
-118.082
-118.511
-118.979
-119.453
-119.904
CP
(GIBBS/MOLE)
0.390
0.592
0.580
0.663
0.522
0.178
-0.224
-0.564
-0.793
-0.914
-0.950
-0.930
-0.876
PARAMETERS FOR
LOG A B
-1.967 0.23
STD ERROR OF ESTIMATE
X219.
CN +0
CO
S
(GIBBS/MOLE)
-5.989
-5.707
-5.322
-5.066
-4.888
-4.806
-4.810
-4.872
-4.964
-5.064
-5.163
-5.254
-5.333
KC
C
-118.717
0.001
f N
LOG KC
(C IN
HOLE/CO
85.712
50.594
24.697
16.086
11.793
9.223
(.511
6.287
5.367
4.649
4.071
3.599
3.202
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-205.964
-205.920
-205.798
-205.566
-205.275
-205.059
-204.994
-205.081
-205.275
-205.520
-205.769
-205.981
-206.121
CP
(GIBBS/MOLE)
U.030
0.253
0.331
0.568
0.546
0.293
-0.030
-0.299
-0.457
-0.511
-0.476
-0.358
-0.197
PARAMETERS FOR
LOG A B
-2.393 0.15
STO ERROR OF ESTIMATE
X220.
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-77.011
-77.050
-77.109
-77.157
-77.259
-77.517
-77.982
-78.634
-79.407
-80.220
-81.004
-81.706
-82.289
CP
(GIBBS/MOLE)
-0.272
-0.147
-0.096
-0.119
-0.334
-0.721
-1.138
-1.458
-1.622
-1.634
-1.518
-1.320
-1.073
S
(GIBBS/MOLE)
-3.046
-3.148
-3.232
-3.270
-3.328
-3.442
-3.612
-3.B14
-4.021
-4.213
-4.381
-4.518
-4.622
LOG KC
(C IN
HOLE/CO
55.787
32.992
16.147
10.527
7.716
6.026
f.892
4.078
3.462
2.978
2.585
2.262
1.992
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
CN + 02
CO
S
(GIBBS/MOLE)
-8.907
-8.801
-8.632
-8.448
-8.280
-8.182
-8.158
-8.185
-8.237
-8.294
-8.346
-8.387
-8.412
KC
C
-205.964
0.003
+ NO
LOG KC
(C IN
MOLE/CO
149.026
88.082
43.089
28.103
20.620
16.138
13.150
11.017
9.416
8.169
7.169
6.352
5.669
THERHOCHEHICAL DATA
H
IKCAL/MDLE)
-108.837
-108.847
-108.984
-109.118
-109.325
-109.752
-110.474
-111.477
-112.702
-114.071
-115.519
-116.998
-118.473
CP
(GIBBS/MOLE)
0.110
-0.178
-0.278
-0.291
-0.595
-1.139
-1.741
-2.253
-2.618
-2.839
-2.940
-2.962
-2.932
S
(GIBBS/MOLE)
0.151
0.131
-0.055
-0.162
-0.279
-0.468
-0.730
-1.038
-1.365
-1.687
-1.992
-2.275
-2.532
LOG KC
(C IN
MOLE/CO
79.812
47.605
23.806
15.862
11.885
9.492
7.888
6.734
5.860
5.171
4.613
4.152
3.762
PARAMETERS FOR KC
LOG A B C
-0.487 -0.06 -77.011
STD ERROR OF ESTIMATE * 0.003
PARAMETERS FOR KC
LOG A B C
0.378 -0.11 -108.837
STD ERROR OF ESTIMATE
U.005
-------
4-57
X2Z1.
CN
02
C02 + N
X22Z.
CO
HNO
= C02 * HN
THERHOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-85.089
-84.975
-84.262
-83.430
-82.655
-82.092
-81.807
-81.772
-81.899
-82.087
-82.246
-82.303
-82.208
CP
(GIBBS/HOLE)
-0.146
1.048
1.616
1.661
1.375
0.850
0.293
-0.134
-0.358
-0.389
-0.258
0.001
0.324
S
(GIBBS/HOLE)
-9.724
-9.458
-8.489
-7.815
-7.368
-7.114
-7.011
-7.000
-7.035
-7.080
-7.115
-7.130
-7.116
LOG KC
(C IN
MOLE/CO
60.249
35.077
16.561
10.448
7.422
5.624
..428
3.578
2.940
2.442
2.042
1.715
1.443
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-1.425
-1.223
-0.650
-0.117
0.453
1.080
1.765
2.507
J.304
4.152
5.054
6.014
(.038
CP
(GIBBS/HOLE)
0.596
1.197
1.066
1.089
1.196
1.313
1.429
1.537
1.646
1.751
1.856
1.984
2.114
S
(GIBBS/HOLE)
-5.578
-5.071
-4.269
-3.839
-3.512
-3.231
-2.982
-2.753
-2.542
-2.342
-2.151
-1.968
-1.790
LOG KC
(C IN
HOLE/CO
-0.177
-0.576
-0.792
-0.822
-0.818
-0.800
-0.781
-0.758
-0.736
-0.713
-0.691
-0.669
-0.648
PARAMETERS FOR KC
LOG AS C
-3.730 0.56 -85.089
STD ERROR OF ESTIMATE
0.006
PARAMETERS FOR KC
LOG A B C
-2.480 0.45 -1.425
STD ERROR OF ESTIMATE
U.004
X223.
CO
HO
C02 + H
X224.
CO + H02
* C02 + HO
THERHOCHEMICAL DATA
THERHOCHEHICAL DATA
T
(OEG Kl
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-25.029
-24.889
-23.745
-22.398
-21.127
-19.950
-18.840
-17.779
-16.754
-15.759
-14.785
-13.824
-12.870
CP
(GIBBS/HOLE)
-0.290
1.458
2.685
2.637
2.442
2.280
2.166
2.080
2.019
1.969
1.927
1.914
1.907
S
(GIBBS/MOLE)
-12.631
-12.309
-10.771
-9.678
-8.947
-8.419
-8.015
-7.688
-7.414
-7.179
-6.974
-6.790
-6.624
LOG KC
(C IN
MOLE/CO
15.587
8.189
2.835
1.149
0.353
-0.095
-0.379
-0.570
-0.704
-0.803
-0.878
-0.935
-0.980
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-63.145
-62.940
-62.407
-61.894
-61.344
-60.743
-60.091
-59.390
-58.640
-57.843
-56.999
-56.099
-55.138
CP
(GIBBS/HOLE)
0.738
1.121
1.016
1.053
1.151
1.254
1.355
1.450
1.547
1.641
1.737
1.860
1.987
S
(GIBBS/MOLE)
-6.644
-6.128
-5.382
-4.968
-4.651
-4.382
-4.146
-3.929
-3.729
-3.542
-3.363
-3.192
-3.025
LOG KC
(C IN
HOLE/CO
44.833
26.171
12.462
7.932
5.686
4.352
3.472
2.850
2.389
2.035
1.756
1.531
1.347
PARAMETERS FOR KC
LOG A B C
-5.376 0.91 -25.029
PARAMETERS FOR KC
LOG A B C
-2.665 0.44 -63.145
STD ERROR OF ESTIMATE
0.012
STD ERROR OF ESTIMATE
0.004
-------
4-58
X225.
CO
H20
C02 + H2
X226.
CO
NO
C02
THERHOCHEHICAL DATA
THERHOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
SOOO
5500
6000
H
IKCAL/MOLE)
-9.839
-9.518
-8.304
-7.201
-6.266
-5.435
-4.653
-3.889
-3.106
-2.287
-1.423
-0.502
0.481
CP S
(GIBBS/MOLE) (GIBBS/MOLE)
0.776 -10.040
2.123
2.417
2.023
1.741
1.600
1.533
1.538
1.597
1.682
1.780
1.904
2.028
PARAMETERS FOR KC
LOG A B
-4.621 0.87
STD ERROR 3F ESTIMATE
X227.
CO + N02
= C02
-9.247
-7.574
-6.674
-6.134
-5.762
-5.478
-5.241
-5.033
-4.841
-4.658
-4.482
-4.311
C
-9.839
0.002
+ NO
LOG KC
1C IN
HOLE/CO
5.018
2.139
0.159
-0.409
-0.656
-0.784
-0.858
-0.902
-0.930
-0.946
-0.956
-0.960
-0.961
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
23.748
23.872
24.722
25.688
26.670
27.660
28.667
29.705
30.803
31.984
33.273
34.695
36.265
CP S
(GIBBS/MOLE) (GIBBS/MOLE)
-0.256 -9.875
1.226
1.894
1.952
1.970
1.989
2.034
2.119
2.260
2.450
2.682
2.963
3.256
PARAMETERS FOR KC
LOG A B
-4.109 0.68
STO ERROR OF ESTIMATE
X228.
THERHOCHEHICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-53.967
-53.885
-53.584
-53.182
-52.698
-52.159
-51.572
-50.946
-50.283
-49.585
-48.852
-48.081
-47.264
CP S
(GIBBS/MOLE) (GIBBS/MOLE)
0.205 -3.138
0.505
0.704
0.895
1.029
1.129
1.215
1.289
1.362
1.430
1.498
1.589
1.682
-2.934
-2.522
-2.200
-1.923
-1.681
-1.468
-1.275
-1.099
-0.935
-0.779
-0.632
-0.491
LOG KC
(C IN
HOLE/CO
38.872
22.911
11.159
7.267
5.337
4.192
3.436
2.903
2.508
2.204
1.964
1.772
1.613
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
CO + N20
C02
-9.589
-8.434
-7.653
-7.089
-6.646
-6.281
-5.962
-5.670
-5.393
-5.123
-4.855
-4.584
C
23.748
0.010
T N2
LOG KC
(C IN
HOLE/CO
-19.563
-12.528
-7.245
-5.414
-4.463
-3.868
-3.460
-3.156
-2.920
-2.729
-2.571
-2.437
-2.319
THERMOCHEMICAL DATA
H
(KCAL/HOLE)
-87.247
-87.315
-87.470
-87.555
-87.571
-87.536
-87.458
-87.344
-87.193
-87.009
-86.790
-86.528
-86.217
CP S
(GIBBS/MOLE) (GIBBS/MOLE)
-0.360 -2.918
-0.339
-0.249
-0.095
0.024
0.115
0.194
0.265
0.336
0.403
0.474
0.572
0.679
-3.094
-3.310
-3.382
-3.392
-3.376
-3.348
-3.313
-3.273
-3.230
-3.183
-3.133
-3.079
LOG KC
(C IN
MOLE/CO
63.314
37.488
18.392
12.017
8.827
6.915
5.639
4.730
4.049
3.520
3.098
2.753
2.467
PARAMETERS FOR KC
LOG A B C
-1.523 0.29 -53.967
STD ERROR OF ESTIMATE
0.007
PARAMETERS FOR KC
LOG A B C
-0.426 -0.08 -87.247
STD ERROR OF ESTIMATE
0.002
-------
4-59
X229.
CO
* H
C02
X230.
CO
02
C02
THERMOCHEMICAL DATA
THERHOCHEMICAL DATA
T
(DEC Kl
298
500
-1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-127.196
-127.665
-127.947
-127.777
-127.436
-127.013
-126.541
-126.046
-125.540
-125.035
-124.534
-124.033
-123.525
CP
(GIBBS/MOLE)
-3.328
-1.536
0.050
0.554
0.782
U.904
0.974
1.004
1.014
1.007
0.996
1.008
1.027
PARAMETERS FOR
LOG A B
-5.491 0.87
S
(GIBBS/MOLE)
-34.610
-35.850
-36.303
-36.173
-35.978
-35.788
-35.618
-35.465
-35.330
-35.211
-35.105
-35.009
-34.921
KC
C
-127.196
LOG KC
(C IN
HOLE/CO
90.058
52.578
24.942
15.801
11.277
8.594
6.825
5.578
4.654
3.945
3.384
2.931
2.559
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-8.078
-7.925
-7.153
-6.273
-5.396
-4.575
-3.825
-3.138
-2.492
-1.867
-1.242
-0.597
0.081
CP
(GIBBS/MOLE)
0.126
1.195
1.712
1.780
1.709
1.571
1.431
1.324
1.264
1.245
1.260
1.321
1.397
PARAMETERS FOR
LOG A B
-3.243 0.62
STD ERROR OF ESTIMATE 0.016
X231.
H * H
* M » H2
+ M
X232.
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000,
H
(KCAL/MOLE)
-104.200
-104.800
-106.230
-107.474
-108.460
-109.230
-109.836
-110.312
-110.666
-110.908
-111.050
-111.100
-111.060
CP
(GIBBS/MOLE)
-3.044
-2.943
-2.717
-2.216
-1.741
-1.361
-1.077
-0.826
-0.594
-0.381
-0.188
-0.006
0.164
S
(GIBBS/MOLE)
-23.576
-25.116
-27.106
-28.122
-28.692
-29.039
-29.259
-29.406
-29.502
-29.560
-29.589
-29.599
-29.592
LOG KC
(C IN
MOLE/CO
75.612
44.929
22.206
14.602
10.795
8.514
6.997
5.920
5.114
4.493
4.001
3.600
3.270
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
STD ERROR 3F ESTIMATE
H + HN
« H2
S
(GIBBS/MOLE)
-6.678
-6.310
-5.257
-4.545
-4.040
-3.672
-3.399
-3.186
-3.014
-2.867
-2.734
-2.612
-2.494
KC
C
-8.078
0.008
* N
LOG KC
(C IN
MOLE/CO
4.462
2.085
u.414
-0.079
-0.294
-0.402
-0.464
-0.500
-0.522
-0.536
-0.543
-0.547
-0.549
THERMOCHEMICAL DATA
H
(KCAL/MOLE)
-29.147
-29.149
-29.206
-29.373
-29.530
-29.639
-29.687
-29.663
-29.531
-29.264
-28.845
-28.257
-27.493
CP
(GIBBS/MOLE)
-0.074
-0.001
-0.252
-0.344
-0.278
-0.162
-0.039
0.140
0.379
0.666
0.986
1.326
1.668
S
(GIBBS/MOLE)
-2.863
-2.871
-2.938
-3.072
-3.164
-3.214
-3.232
-3.226
-3.192
-3.132
-3.045
-2.936
-2.806
LOG KC
(C IN
MOLE/CC)
20.743
12.116
5.743
3.609
2.536
1.890
1.457
1.149
0.918
0.739
0.598
0.484
0.392
PARAMETERS FOR KC
LOG A B C
-0.394 -0.05 -104.200
STD ERROR OF ESTIMATE » 0.003
PARAMETERS FOR KC
LOG A B C
-0.379 -0.08 -29.147
STD ERROR OF ESTIMATE
0.001
-------
4-60
X233.
HMD
HN
HO
X234.
HNO
- H2
NO
THERMOCHEMICAL DATA
THERHOCHEHICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
23.604
23.666
23.095
22.281
21.580
21.030
20.605
20.266
20.058
19.911
19.839
19.838
19.908
CP
(GIBBS/HOLE)
0.886
-0.261
-1.619
-1.548
-1.246
-0.967
-0.737
-0.543
-0.373
-0.218
-0.071
0.070
0.207
S
(GIBBS/HOLE)
7.053
7.238
6.502
5.839
5.435
5.188
5.033
f.935
4.872
t.837
4.823
4.822
4.834
LOG KC
(C IN
HOLE/CO
-15.764
-8.765
-3.627
-1.971
-1.171
-0.705
-0.402
-0.188
-0.032
0.090
0.187
0.266
0.332
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-54.320
-54.244
-54.578
-55.178
-55.747
-56.219
-56.589
-56.861
-57.030
-57.096
-57.064
-56.938
-56.720
CP
(GIBBS/HOLE)
0.778
-0.030
-1.080
-1.207
-1.052
-0.838
-0.644
-0.442
-0.235
-0.033
0.160
0.347
0.526
S
(GIBBS/HOLE)
1.434
1.647
1.227
0.742
0.413
0.201
0.067
-0.017
-0.064
-0.081
-0.073
-0.049
-0.012
LOG KC
(C IN
HOLE/CO
40.129
24.068
12.196
8.201
6.181
4.958
4.136
3.547
3.102
2.755
2.478
2.252
2.063
PARAMETERS FOR KC
LOG A B C
2.896 -0.45 23.604
STD ERROR OF ESTIMATE
0.007
PARAMETERS FOR KC
LOG A B C
1.248 -0.30 -54.320
STD ERROR OF ESTIMATE
0.008
X235.
HNO
H20
X236.
HO
H2
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-20.733
-20.854
-21.552
-22.289
-22.811
-23.124
-23.269
-23.267
-23.121
-22.825
-22.368
-21.741
-20.936
CP
(GIBBS/MOLE)
-0.254
-0.927
-1.603
-1.278
-0.823
-0.449
-0.143
0.139
0.428
0.735
1.062
1.406
1.754
S
(GIBBS/HOLE)
1.599
1.305
0.367
-0.237
-0.542
-0.683
-0.736
-0.738
-0.701
-0.633
-0.538
-0.422
-0.285
LOG KC
(C IN
MOLE/CC)
15.548
v.401
4.792
3.196
2.374
1.874
1.534
1.293
1.112
0.972
O.B63
0.775
0.705
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-2.033
-2.024
-2.028
-2.095
-2.151
-2.167
-2.135
-2.045
-1.880
-1.632
-1.301
-0.891
-0.405
CP
(GIBBS/MOLE)
-0.006
0.051
-0.082
-0.133
-0.081
0.015
0.115
0.250
0.411
0.581
0.743
0.900
1.044
S
(GIBBS/MOLE)
-1.597
-1.575
-1.574
-1.627
-1.661
-1.670
-1.656
-1.629
-1.586
-1.528
-1.458
-1.380
-1.295
LOG KC
(C IN
MOLE/CC)
1.141
0.540
0.099
-0.050
-0.129
-0.175
-0.207
-0.228
-0.244
-0.255
-0.261
-0.266
-0.269
PARAMETERS FOR KC
LOG A B C
1.760 -0.49 -20.733
STO ERROR OF ESTIMATE > 0.001
PARAMETERS FOR KC
LOG A B C
-0.279 -0.02 -2.033
STD ERROR OF ESTIMATE > 0.001
-------
4-61
X237.
+ HO + M
H20
+ M
X238.
H02
HO
+ HO
THERMOCHEMICAL DATA
THERMDCHEMICAL DATA
T
(DE6 K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-119.390
-120.171
-121.671
-122.671
-123.321
-123.745
-124.023
-124.202
-124.314
-124.380
-124.412
-124.422
-124.411
CP
(GIBBS/MOLE)
-4.110
-3.608
-2.449
-1.602
-1.040
-0.681
-0.444
-0.284
-0.172
-0.094
-0.041
0.004
0.043
PARAMETERS FOR
LOG A B
-1.150 -0.02
STD ERROR OF ESTIMATE
X239.
H + H02
H2
S
(GIBBS/HOLE)
-26.167
-28.178
-30.303
-31.126
-31.505
-31.696
-31.796
-31.853
-31.883
-31.898
-31.905
-31.907
-31.905
KC
C
-119.390
0.013
+ 02
LOG KC
(C IN
MOLE/CO
86.181
50.979
24.882
16.160
11.804
9.203
7.476
0.252
5.340
<>.636
4.079
3.625
3.251
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-38.116
-38.051
-38.662
-39.496
-40.217
-40.793
-41.251
-41.611
-41.886
-42.084
-42.214
-42.275
-42.268
CP S
(GIBBS/MOLE) (GIBBS/MOLE)
1.028 5.987
-0.337
-1.669
-1.584
-1.291
-1.026
-0.811
-0.630
-0.472
-0.328
-0.190
-0.054
0.080
6.181
5.389
4.710
4.296
4.037
3.869
3.759
3.685
3.637
3.611
3.598
3.599
LOG KC
(C IN
MOLE/CO
29.246
17.982
V.627
0.783
5.333
t.447
3.851
3.420
3.093
1.838
2.634
2.466
2.327
PARAMETERS FOR KC
LOG A 6 C
2.711 -0.46 -38.116
STD ERROR OF ESTIMATE =
X240.
THERHOCHEHICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-57.100
-57.039
-57.282
-57.716
-58.099
-58.335
-58.401
-58.297
-58.028
-57.608
-57.058
-56.393
-55.624
CP
(GIBBS/MOLE)
0.606
-0.023
-0.778
-0.860
-0.639
-0.302
0.039
0.376
0.694
0.977
1.220
1.439
1.634
S
(GIBBS/MOLE)
-1.563
-1.393
-1.699
-2.050
-2.272
-2.380
-2.403
-2.372
-2.301
-2.203
-2.087
-1.960
-1.826
LOG KC
(C IN
MOLE/CO
41.512
24.626
12.147
7.961
5.851
4.579
3.729
3.122
2.667
2.316
2.038
1.812
1.627
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H + H02
- H20
0.007
* 0
THERMOCHEMICAL DATA
H
(KCAL/MOLE)
-55.339
-55.446
-56.131
-56.788
-57.229
-57.475
-57.573
-57.546
-57.414
-57.188
-56.877
-56.488
-56.024
CP S
(GIBBS/MOLE) (GIBBS/MOLE)
-0.044 1.799
-0.951
-1.483
-1.103
-0.671
-0.331
-0.063
u.162
0.361
0.540
0.700
0.856
1.003
1.544
0.618
0.079
-0.178
-0.290
-0.324
-0.317
-0.282
-0.229
-0.163
-0.090
-0.009
LOG KC
(C IN
MOLE/CO
40.956
24.572
12.402
0.291
6.213
4.961
4.123
3.524
3.075
2.726
2.451
2.225
2.039
PARAMETERS FOR KC
LOG A B C
0.298 -0.20 -57.100
STD ERROR OF ESTIMATE " 0.005
PARAMETERS FOR KC
L3G A B C
1.676 -0.45 -55.339
STD ERROR OF ESTIMATE
0.002
-------
4-62
X241.
H20
HO
H2
X242.
+ N
HN
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
15.190
15.371
15.441
15.197
14.861
14.515
14.187
13.890
13.648
13.472
13.362
13.322
13.351
CP
(GIBBS/HOLE)
1.066
0.665
-0.268
-0.614
-0.701
-0.680
-0.633
-0.542
-0.422
-0.287
-0.147
-0.010
0.121
S
(GIBBS/HOLE)
2.591
3.062
3.197
3.004
2.813
2.657
2.537
2.447
2.381
2.338
2.316
2.308
2.313
LOG KC
(C IN
HOLE/CO
-10.569
-6.050
-2.676
-1.558
-1.009
-0.689
-0.479
-0.332
-0.226
-0.143
-0.078
-0.025
0.019
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-75.053
-75.651
-77.024
-78.101
-78.930
-79.591
-80.149
-80.649
-81.135
-81.644
-82.205
-82.843
-83.567
CP
(GIBBS/HOLE)
-2.970
-2.942
-2.465
-1.872
-1.463
-1.199
-1.038
-0.966
-0.973
-1.047
-1.174
-1.332
-1.504
S
(GIBBS/HOLE)
-20.713
-22.245
-24.168
-25.050
-25.528
-25.825
-26.027
-26.180
-26.310
-26.428
-26.544
-26.663
-26.786
LOG KC
(C IN
MOLE/CO
54.869
32.813
16.463
10.993
8.259
6.624
5.540
4.771
4.196
3.754
3.403
3.116
2.878
PARAMETERS FOR KC
LOG A B C
0.755 -0.03 15.190
STD ERROR OF ESTIMATE
0.010
PARAMETERS FOR KC
LOG A B C
-0.014 0.02 -75.053
STD ERROR OF ESTIMATE = 0.005
X243.
NO
HN
X244.
NO
* M
HNO
THERMOCHEHICAL DATA
THERMOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
75.891
75.886
75.645
75.364
75.176
75.082
75.059
75.102
75.208
75.375
75.602
75.885
76.223
CP
(GIBBS/MOLE)
0.102
-0.180
-0.621
-0.474
-0.275
-0.114
0.022
0.149
0.273
u.396
0.512
0.623
0.725
S
(GIBBS/MOLE)
4.022
..016
3.701
3.470
3.361
3.317
3.310
3.323
3.350
3.390
3.438
3.491
3.551
LOG KC
(C IN
MOLE/CO
-54.752
-32.293
-15.724
-10.222
-7.481
-5.838
-4.745
-3.963
-3.378
-2.920
-2.552
-2.252
-2.000
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-49.880
-50.556
-51.652
-52.296
-52.713
-53.011
-53.247
-53.451
-53.636
-53.812
-53.986
-54.162
-54.340
CP
(GIBBS/MOLE)
-3.822
-2.913
-1.637
-1.009
-0.689
-0.523
-0.433
-0.384
-0.359
-0.348
-0.348
-0.353
-0.362
S
(GIBBS/MOLE)
-25.010
-26.763
-28.333
-28.864
-29.105
-29.240
-29.326
-29.389
-29.438
-29.479
-29.516
-29.550
-29.580
LOG KC
(C IN
MOLE/CO
35.483
20.861
10.010
6.401
4.614
3.556
2.861
2.373
2.012
1.738
1.523
1.348
1.207
PARAMETERS FOR KC
LOG A 8 C
1.367 -0.16 75.891
STD ERROR OF ESTIMATE = 0.001
PARAMETERS FOR KC
LOG A B C
-1.642 0.24 -49.880
STD ERROR OF ESTIMATE
0.011
-------
4-63
X245.
+ NO
HO
X246.
N02
HN
02
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEC K)
296
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
48.777
48.761
48.467
48.086
47.797
47.610
47.507
47.484
47.557
47.743
48.058
48.519
49.135
CP
(GIBBS/MOLE)
0.034
-0.232
-0.791
-0.685
-0.472
-0.291
-0.132
0.039
0.241
0.481
0.755
1.049
1.349
PARAMETERS FOR
LOG A B
1.267 -0.22
STD ERROR OF ESTIMATE
X247.
H * N02
S
(GIBBS/MOLE)
2.756
2.720
2.337
2.025
1.858
1.773
1.734
1.726
1.744
1.786
1.851
1.935
2.040
KC
C
48.777
0.001
LOG KC
(C IN
MOLE/CO
-35.150
-20.717
-10.080
-6.563
-4.816
-3.773
-3.081
-2.586
-2.216
-1.926
-1.693
-1.502
-1.339
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
30.002
29.926
29.214
28.455
27.874
27.498
27.312
27.294
27.417
27.657
27.992
28.401
28.878
CP
(GIBBS/MOLE)
0.181
-0.870
-1.629
-1.359
-0.955
-0.556
-0.194
0.114
0.371
0.581
0.750
0.891
1.010
PARAMETERS FOR
LOG A B
3.087 -0.50
STD ERROR OF ESTIMATE
* HNO + 0
X248.
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
23.349
23.224
22.711
22.299
22.025
21.843
21.722
21.649
21.621
21.638
21.696
21.790
21.921
CP
(GIBBS/MOLE)
-0.289
-0.872
-0.983
-0.668
-0.442
-0.298
-0.192
-0.099
-0.011
0.075
0.154
0.228
0.293
S
(GIBBS/MOLE)
6.462
0.153
5.448
5.109
4.950
4.867
4.824
4.801
4.793
4.797
4.810
4.827
4.850
LOG KC
(C IN
MOLE/CO
-15.703
-8.806
-3.773
-2.133
-1.326
-0.846
-0.528
-0.302
-0.134
-0.003
0.103
0.189
0.261
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H + N02
« HO
S
(GIBBS/MOLE)
7.562
7.392
0.436
5.815
5.478
5.308
5.241
5.234
5.265
5.322
5.393
5.471
5.554
KC
C
30.002
0.002
+ NO
LOG KC
(C IN
MOLE/CO
-20.342
-11.467
-4.979
-2.876
-1.850
-1.244
-0.845
-0.560
-0.348
-0.180
-0.045
0.067
0.162
THERMOCHEMICAL DATA
H
(KCAL/MOLE)
-28.938
-28.996
-29.839
-30.784
-31.571
-32.209
-32.732
-33.167
-33.529
-33.826
-34.067
-34.257
-34.394
CP
(GIBBS/MOLE)
U.495
-0.953
-1.981
-1.742
-1.413
-1.151
-0.951
-0.791
-0.657
-0.539
-0.429
-0.325
-0.225
S
(GIBBS/MOLE)
9.493
9.375
8.249
7.478
(.024
6.738
6.547
6.413
6.315
6.244
0.195
6.158
6.133
LOG KC
(C IN
MOLE/CO
23.285
14.722
8.324
6.118
4.984
4.287
3.815
3.473
3.212
3.007
2.842
2.707
2.593
PARAMETERS FOR KC
LOG A B C
2.324 -0.33 23.349
STD ERROR OF ESTIMATE
0.002
PARAMETERS FOR KC
LOG A B C
3.853 -0.61 -28.938
STD ERROR OF ESTIMATE
0.005
-------
4-64
X249.
N02
H02
X250.
N2
HN
+ N
THERHOCHEHICAL DATA
THERMOCHEHICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
< KCAL/MOLE >
57.955
57.816
57.290
56.798
56.443
56.194
56.026
55.928
55.914
56.001
56.205
56.537
57.009
CP
(GIBBS/HOLE)
-0.499
-0.848
-1.103
-0.843
-0.594
-0.416
-0.272
-0.122
0.056
0.270
u.516
0.778
1.044
S
(GIBBS/HOLE)
0.262
5.914
5.197
4.793
4.586
4.474
4.412
4.380
4.374
4.393
4.435
4.495
4.574
LOG KC
1C IN
HOLE/CO
-41.111
-23.977
-11.383
-7.228
-5.165
-3.933
-3.117
-2.533
-2.097
-1.757
-1.485
-1.261
-1.073
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
150.877
150.871
150.750
150.591
150.494
150.465
150.499
150.603
150.793
151.090
151.515
152.079
152.791
CP
(GIBBS/HOLE)
0.005
-0.075
-0.344
-0.266
-0.126
0.001
U.129
0.279
0.470
0.703
0.968
1.250
1.531
S
(GIBBS/HOLE)
0.745
6.735
6.579
6.448
6.390
6.376
6.388
0.419
6.467
0.536
6.624
0.728
6.850
LOG KC
1C IN
HOLE/CO
-109.119
-64.472
-31.507
-20.531
-15.048
-11.758
-9.567
-7.999
-6.824
-5.907
-5.172
-4.570
-4.064
PARAMETERS FOR KC
LOG A B C
2.409 -0.37 57.955
STD ERROR OF ESTIMATE
0.001
PARAMETERS FOR KC
LOG A B C
1.751 -0.09 150.877
STO ERROR 3F ESTIMATE
0.000
X251.
N20
HN
NO
X252.
N20
= HNO + N
THERMOCHEHICAL DATA
THERMOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
39.882
39.684
38.558
37.348
36.253
35.269
34.374
33.554
32.797
32.097
31.452
30.856
30.309
CP
(GIBBS/MOLE)
-0.099
-1.640
-2.487
-2.313
-2.072
-1.873
-1.711
-1.575
-1.454
-1.344
-1.240
-1.141
-1.046
S
(GIBBS/MOLE)
13.702
13.230
11.703
10.719
10.087
9.646
9.321
9.068
8.864
8.699
8.564
8.450
8.355
LOG KC
(C IN
MOLE/CC)
-26.242
-14.456
-5.870
-3.100
-1.758
-0.975
-0.468
-0.113
0.145
0.342
0.497
0.620
0.722
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
65.055
64.779
63.930
63.153
62.470
61.849
61.276
60.752
60.296
59.929
59.671
59.537
59.536
CP
(GIBBS/MOLE)
-0.951
-1.611
-1.659
-1.450
-1.298
-1.197
-1.106
-0.993
-0.840
-0.645
-0.414
-0.162
0.096
S
(GIBBS/MOLE)
9.405
8.712
7.538
6.905
6.510
6.231
6.022
5.859
5.736
5.648
5.592
5.563
5.561
LOG KC
(C IN
MOLE/CC)
-45.628
-26.408
-12.323
-7.692
-5.403
-4.043
-3.147
-2.511
-2.039
-1.674
-1.383
-1.148
-0.949
PARAMETERS FOR KC
LOG A B C
5.434 -0.85 39.882
STO ERROR OF ESTIMATE » 0.007
PARAMETERS FOR KC
LOG A B C
3.805 -0.63 65.055
STD ERROR OF ESTIMATE = 0.001
-------
4-65
X253.
N20
* HO + N2
X254.
+ 0
HO
THERHOCHEMICAL DATA
THERHOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-62.218
-62.426
-63.725
-65.157
-66.444
-67.586
-68.618
-69.565
-70.439
-71.250
-72.005
-72.704
-73.347
CP
(GIBBS/MOLE)
-0.070
-1.797
-2.934
-2.732
-2.418
-2.165
-1.972
-1.815
-1.683
-1.566
-1.453
-1.342
-1.228
S
(GIBBS/MOLE)
9.713
9.215
7.461
6.296
5.555
5.043
4.667
4.375
4.141
3.949
3.791
3.657
3.545
LOG KC
(C IN
MOLE/CO
47.727
29.299
15.557
10.868
8.474
(.010
6.018
5.300
4.753
H.323
3.976
4.688
3.447
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
PARAMETERS FOR KC
LOG A B C
4.950 -0.99 -62.218
STD ERROR OF ESTIMATE
X255.
H +02
- HO
0.009
* 0
H
(KCAL/MOLE)
-102.167
-102.776
-104.202
-105.379
-106.309
-107.063
-107.701
-108.267
-108.786
-109.276
-109.749
-110.209
-110.655
CP
(GIBBS/MOLE)
-3.038
-2.994
-2.635
-2.083
-1.660
-1.376
-1.192
-1.076
-1.005
-0.962
-0.931
-0.906
-0.880
PARAMETERS FOR
LOG A B
-0.114 -0.03
STD ERROR OF ESTIMATE
X2S6.
THERHOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
16.951
16.964
16.592
16.125
15.731
15.375
15.015
14.641
14.262
13.892
13.543
13.227
12.951
CP
(GIBBS/MOLE)
0.416
-0.263
-0.973
-0.857
-0.733
-0.709
-0.735
-0.756
-0.755
-0.724
-0.667
-0.593
-0.510
S
(GIBBS/HOLE)
5.953
5.999
5.514
5.133
4.907
4.747
4.616
4.502
4.400
4.312
4.240
4.178
4.130
LOG KC
(C IN
MOLE/CO
-11.125
-6.104
-2.421
-1.228
-0.647
-0.307
-0.085
0.070
0.182
0.267
0.335
0.388
0.431
r
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H +02
S
(GIBBS/HOLE)
-21.979
-23.541
-25.532
-26.495
-27.031
-27.369
-27.603
-27.777
-27.916
-28.032
-28.131
-28.219
-28.297
KC
C
-102.167
0.004
LOG KC
(C IN
HOLE/CO
74.471
44.389
22.107
14.652
10.924
8.689
7.204
6.148
5.358
4.748
4.262
3.866
3.539
» n H02 + M
THERMOCHEMICAL DATA
H
(KCAL/HOLE)
-47.100
-47.761
-48.948
-49.758
-50.361
-50.895
-51.435
-52.015
-52.638
-53.300
-53.992
-54.707
-55.436
CP
(GIBBS/HOLE)
-3.650
-2.920
-1.939
-1.356
-1.102
-1.059
-1.116
-1.202
-1.288
-1.358
-1.408
-1.445
-1.470
S
(GIBBS/MOLE)
-22.013
-23.723
-25.407
-26.072
-26.420
-26.659
-26.856
-27.034
-27.201
-27.357
-27.502
-27.639
-27.766
LOG KC
(C IN
HOLE/CO
34.100
20.303
10.059
0.641
4.944
3.935
3.268
2.798
2.447
2.177
1.963
1.788
1.643
PARAMETERS FOR KC
L3G A B C
2.133 -0.28 16.951
STD ERROR 3F ESTIMATE
0.003
PARAMETERS FOR KC
LOG A B C
-0.692 0.15 -47.100
STD ERROR OF ESTIMATE >-s. ; 0.007
-------
4-66
X257.
HN
HN
H2
N2
X2S8.
HN
HNO
H2
+ N20
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-180.024
-180.020
-179.956
-179.964
-180.024
-180.104
-180.186
-180.266
-180.324
-180.354
-180.360
-180.336
-180.284
CP
(GIBBS/MOLE)
-0.079
0.074
0.092
-0.078
-0.152
-0.163
-0.168
-0.139
-0.091
-0.037
0.018
0.076
0.137
PARAMETERS FOR
LOG A B
-2.131 0.01
STD ERROR OF ESTIMATE
X259.
HN + HNO
S
(GIBBS/MOLE)
-9.608
-9.606
-9.517
-9.520
-9.554
-9.590
-9.620
-9.645
-9.659
-9.668
-9.669
-9.664
-9.656
KC
C
-180.024
0.002
LOG KC
(C IN
MOLE/CO
129.862
76.588
37.250
24.140
17.584
13.648
11.024
9.148
7.742
6.646
5.770
5.054
4.456
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-94.202
-93.928
-93.136
-92.526
-92.000
-91.488
-90.963
-90.415
-89.827
-89.193
-88.516
-87.794
-87.029
CP
(GIBBS/MOLE)
0.877
1.610
1.407
1.106
1.020
1.035
1.067
1.133
1.219
1.311
1.400
1.488
1.572
PARAMETERS FOR
LOG A B
-4.185 0.55
STD ERROR OF ESTIMATE
« H20 + N2
X260.
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-171.610
-171.725
-172.302
-172.880
-173.305
-173.589
-173.768
-173.870
-173.914
-173.915
-173.883
-173.820
-173.727
CP
(GIBBS/MOLE)
-0.259
-0.852
-1.259
-1.012
-0.697
-0.450
-0.272
-0.140
-0.042
0.032
0.094
0.156
0.223
S
(GIBBS/MOLE)
-5.146
-5.430
-6.212
. -6.685
-6.932
-7.059
-7.124
-7.157
-7.168
-7.169
-7.162
-7.150
-7.135
LOG KC
(C IN
HOLE/CO
124.667
73.873
36.299
23.727
17.422
13.632
11.101
v.292
7.936
6.879
6.035
5.345
f.769
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
HN + HO
= H2
S
(GIBBS/MOLE)
-12.268
-11.583
-10.476
-9.977
-9.674
-9.445
-9.254
-9.085
-8.928
-8.780
-8.637
-8.499
-8.367
KC
C
-94.202
0.000
+ NO
LOG KC
(C IN
MOLE/CO
66.371
38.524
18.066
11.301
7.939
5.933
4.604
3.660
2.957
2.413
1.981
1.632
1.341
THERMOCHEMICAL DATA
H
(KCAL/MOLE)
-77.924
-77.910
-77.673
-77.459
-77.327
-77.249
-77.194
-77.147
-77.088
-77.007
-76.903
-76.776
-76.628
CP
(GIBBS/MOLE)
-0.108
0.231
0.539
0.341
0.194
0.129
0.093
0.101
0.138
0.185
0.231
0.277
0.319
S
(GIBBS/MOLE)
-5.619
-5.591
-5.275
-5.097
-5.022
-4.987
-4.966
-4.952
-4.936
-4.918
-4.896
-4.871
-4.846
LOG KC
(C IN
MOLE/CC)
55.893
32.833
15.823
10.172
7.352
5.663
4.538
3.735
3.134
2.665
2.291
1.986
1.731
PARAMETERS FOR KC
LOG A B C
0.009 -0.40 -171.610
STD ERROR OF ESTIMATE
-------
4-67
X261.
HN
HO
= H20 * N
X262.
HN
* H02
HNO
HO
THERMOCHEHICAL DATA
THERMOCHEHICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-44.337
-44.520
-44.647
-44.570
-44.391
-44.154
-43.874
-43.553
-43.179
-42.736
-42.207
-41.579
-40.844
CP
(GIBBS/MOLE)
-1.140
-0.666
0.016
0.270
U.423
0.518
0.594
0.682
0.801
0.953
1.133
1.336
1.547
PARAMETERS FOR
LOG A B
-1.135 -0.04
STD ERROR OF ESTIMATE
X263.
HN + H02
H2
S
(GIBBS/MOLE)
-5.454
-5.933
-6.135
-6.076
-5.977
-5.871
-5.769
-5.673
-5.573
-5.470
-5.361
-5.244
-5.119
KC
C
-44.337
0.008
+ N02
LOG KC
(C IN
MOLE/CO
31.312
18.166
8.419
5.167
3.545
2.579
1.936
1.481
1.144
0.882
0.676
0.509
0.373
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-61.720
-61.717
-61.757
-61.777
-61.797
-61.823
-61.856
-61.897
-61.944
-61.995
-62.053
-62.113
-62.176
CP
(GIBBS/MOLE)
u.142
-0.076
-0.050
-0.036
-0.045
-0.059
-0.074
-0.087
-0.099
-0.110
-0.119
-0.124
-0.127
PARAMETERS FOR
LOG A B
-0.184 -0.01
STD ERROR OF ESTIMATE
X264.
THERMOCHEHICAL DATA
T
(OE6 K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-87.102
-86.965
-86.496
-86.171
-85.973
-85.833
-85.713
-85.591
-85.445
-85.265
-85.050
-84.794
-84.502
CP
(GIBBS/MOLE)
0.425
0.847
0.851
0.499
0.316
0.254
0.233
0.262
0.323
0.396
0.470
0.548
0.624
S
(GIBBS/MOLE)
-9.125
-8.785
-8.135
-7.865
-7.750
-7.688
-7.644
-7.606
-7.566
-7.525
-7.480
-7.431
-7.380
LOG KC
(C IN
MOLE/CO
61.854
36.093
17.126
10.837
7.701
5.823
4.574
3.682
3.015
2.496
2.083
1.745
1.465
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
HN + H02
S
(GIBBS/MOLE)
-1.066
-1.057
-1.113
-1.129
-1.139
-1.151
-1.164
-1.176
-1.187
-1.200
-1.212
-1.224
-1.235
KC
C
-61.720
0.000
LOG KC
(C IN
MOLE/CO
45.010
26.747
13.254
8.754
0.504
5.152
*.253
3.608
3.125
2.748
2.447
2.200
1.995
H20 + NO
THERMOCHEMICAL DATA
H
(KCAL/HOLE)
-131.230
-131.332
-131.776
-132.152
-132.405
-132.557
-132.632
-132.648
-132.622
-132.563
-132.479
-132.373
-132.247
CP
(GIBBS/HOLE)
-0.146
-0.771
-0.862
-0.629
-0.396
-0.217
-0.085
0.013
0.088
0.144
0.188
0.233
0.278
S
(GIBBS/MOLE)
-2.223
-2.472
-3.083
-3.391
-3.539
-3.607
-3.634
-3.640
-3.632
-3.619
-3.601
-3.581
-3.560
LOG KC
(C IN
MOLE/CO
95.708
56.865
28.126
18.513
13.694
10.799
8.868
7.487
6.453
5.646
5.003
4.477
*.039
PARAMETERS FOR KC
LOG A B C
-2.789 0.29 -87.102
PARAMETERS FOR KC
LOG A B C
0.308 -0.28 -131.230
STD ERROR OF ESTIMATE » 0.003
STD ERROR OF ESTIMATE
0.002
-------
4-68
X265.
HN
H20
HNO + H2
X266.
HN
NO
HNO + N
THERHOCHEMICAL DATA
THERHOCHEHICAL DATA
T
(DEG K)
298
SOD
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-8.414
-8.295
-7.654
-7.084
-6.719
-6.515
-6.418
-6.396
-6.410
-6.439
-6.477
-6.516
-6.557
CP
(GIBBS/HOLE)
0.180
0.926
1.351
0.934
0.545
0.287
0.104
0.001
-0.049
-0.069
-0.076
-o.oao
-0.086
S
(GIBBS/MOLE)
-4.462
-4.176
-3.305
-2.835
-2.622
-2.531
-2.496
-2.488
-2.491
-2.499
-2.507
-2.514
-2.521
LOG KC
(C IN
HOLE/CO
5.195
2.715
u.951
0.413
0.162
0.016
-0.077
-0.144
-0.194
-0.233
-0.265
-0.291
-0.313
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
25.173
25.095
25.372
25.805
26.217
26.580
26.902
27.198
27.499
27.832
28.219
28.681
29.227
CP
(GIBBS/HOLE)
-0.852
0.029
u.828
0.863
0.774
0.676
0.605
0.582
0.614
0.699
0.826
0.979
1.142
S
(GIBBS/HOLE)
-4.297
-4.518
-4.165
-3.814
-3.577
-3.415
-3.299
-3.209
-3.128
-3.051
-2.972
-2.887
-2.794
LOG KC
(C IN
HOLE/CO
-19.386
-11.952
-6.453
-4.532
-3.645
-3.068
-2.679
-2.398
-2.184
-2.016
-1.880
-1.768
-1.671
PARAMETERS FOR KC
LOG A B C
-2.140 0.41 -8.414
STD ERROR OF ESTIMATE
0.002
PARAMETERS FOR KC
LOG A B C
-1.628 0.22 25.173
STD ERROR OF ESTIMATE = 0.006
X267.
HN
NO
HO
N2
X268.
HN
N02
HNO + NO
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
IKCAL/MOLE)
-102.100
-102.110
-102.283
-102.505
-102.697
-102.855
-102.992
-103.119
-103.236
-103.347
-103.457
-103.560
-103.656
CP
(GIBBS/MOLE)
0.029
-0.157
-0.447
-0.419
-0.346
-0.292
-0.261
-0.240
-0.229
-0.222
-0.213
-0.201
-0.182
S
(GIBBS/MOLE)
-3.989
-4.015
-4.242
-4.423
-4.532
-4.603
-4.654
-4.693
-4.723
-4.750
-4.773
-4.793
-4.810
LOG KC
(C IN
HOLE/CO
73.969
43.755
21.427
13.968
10.232
7.985
6.486
3.413
4.608
3.981
3.479
3.068
2.725
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-52.542
-52.662
-52.934
-53.065
-53.151
-53.239
-53.337
-53.453
-53.587
-53.737
-53.906
-54.095
-54.302
CP
(GIBBS/MOLE)
-0.391
-0.692
-0.362
-0.194
-0.167
-0.184
-0.214
-0.248
-0.284
-0.321
-0.358
-0.395
-0.432
S
(GIBBS/MOLE)
2.440
2.137
1.747
1.639
1.589
1.550
1.514
1.478
1.443
1.407
1.372
1.336
1.299
LOG KC
(C IN
HOLE/CO
39.049
23.487
11.951
8.089
6.155
4.992
4.217
3.661
3.244
2.917
2.655
2.441
2.261
PARAMETERS FOR KC
LOG A B C
-0.483 -0.13 -102.100
STD ERROR OF ESTIMATE
0.001
PARAMETERS FOR KC
LOG A B C
0.957 -0.16 -52.542
STD ERROR OF ESTIMATE - 0.002
-------
4-69
X269.
HN
N02
HO
N20
X270.
HN
N02
H02
N2
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-68.820
-68.680
-68.397
-68.132
-67.824
-67.478
-67.106
-66.721
-66.326
-65.923
-65.519
-65.113
-64.703
CP
(GIBBS/HOLE)
0.594
0.687
0.506
0.571
0.659
0.722
0.760
0.784
u.797
0.805
0.811
0.816
0.821
PARAMETERS FOR
LOG A B
-1.580 0.24
STD ERROR OF ESTIMATE
X271.
HN + N2D
S
(GIBBS/MOLE)
-4.209
-3.855
-3.454
-3.241
-3.063
-2.908
-2.774
-2.655
-2.549
-2.455
-2.369
-2.292
-2.222
KC
C
-68.820
0.003
LOG KC
(C IN
MOLE/CC)
49.527
29.178
14.194
V.218
6.742
5.262
4.283
3.586
3.067
2.665
2.345
2.087
1.871
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-92.922
-93.055
-93.460
-93.793
-94.051
-94.271
-94.473
-94.675
-94.879
-95.089
-95.310
-95.542
-95.782
CP
1GIBBS/MOLE)
-0.504
-0.773
-0.759
-0.577
-0.468
-0.417
-0.401
-0.401
-0.414
-0.433
-0.452
-0.472
-0.487
PARAMETERS FOR
LOG A B
0.658 -0.28
STO ERROR 3F ESTIMATE
= HNO + N2
X272.
THERHOCHEHICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000,
H
(KCAL/MOLE)
-85.822
-86.092
-86.820
-87.438
-88.024
-88.616
-89.223
-89.851
-90.497
-91.161
-91.844
-92.542
-93.255
CP
(GIBBS/MOLE)
-0.956
-1.536
-1.315
-1.184
-1.172
-1.198
-1.235
-1.272
-1.310
-1.348
-1.382
-1.412
-1.435
S
(GIBBS/HOLE)
2.660
1.977
0.959
0.457
0.120
-0.145
-0.366
-0.560
-0.731
-0.888
-1.032
-1.165
-1.289
LOG KC
(C IN
MOLE/CC)
63.491
38.064
19.184
12.839
9.645
7.715
6.420
5.488
4.785
4.233
3.789
3.422
3.115
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
HN +0
S
(GIBBS/MOLE)
-0.483
-0.821
-1.382
-1.655
-1.804
-1.902
-1.976
-2.039
-2.093
-2.143
-2.189
-2.233
-2.276
KC
C
-92.922
0.000
LOG KC
(C IN
MOLE/CC)
68.008
40.495
20.124
13.303
9.883
r.825
6.450
5.466
t.727
4.150
3.687
3.309
2.991
+ M = HNO + M
THERMOCHEMICAL DATA
H
(KCAL/MOLE)
-125.771
-126.442
-127.297
-127.660
-127.889
-128.093
-128.306
-128.553
-128.844
-129.187
-129.588
-130.047
-130.563
CP
(GIBBS/HOLE)
-3.924
-2.733
-1.016
-0.535
-0.414
-0.409
-0.455
-0.533
-0.632
-0.744
-0.860
-0.976
-1.087
S
(GIBBS/HOLE)
-29.032
-30.779
-32.034
-32.334
-32.466
-32.557
-32.636
-32.712
-32.788
-32.869
-32.954
-33.041
-33.131
LOG KC
(C IN
HOLE/CO
90.235
53.154
25.734
16.623
12.095
9.394
7.606
6.336
5.390
4.658
4.075
3.600
3.207
PARAMETERS FOR KC
LOG AS C
2.054 -0.54 -85.822
PARAMETERS FOR KC
LOG A B C
-3.010 0.41 -125.771
STD ERROR OF ESTIMATE
0.001
STD ERROR OF ESTIMATE - 0.011
-------
4-70
X273.
HN
HO
X274.
HN
+ 02
HNO
THERMOCHEMICAL DATA
THERHOCHEHICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-27.114
-27.125
-27.178
-27.278
-27.379
-27.472
-27.552
-27.618
-27.651
-27.632
-27.544
-27.366
-27.088
CP
(GIBBS/HOLE)
-0.068
-0.052
-0.170
-0.211
-0.197
-0.177
-0.154
-0.110
-0.032
0.085
0.243
0.426
0.624
PARAMETERS FOR
LOG A B
-0.100 -0.06
STO ERROR OF ESTIMATE
X275.
HN + 02
- HO
S
(GIBBS/MOLE)
-1.266
-1.296
-1.364
-1.445
-1.503
-1.544
-1.576
-1.597
-1.606
-1.604
-1.587
-1.556
-1.511
KC
C
-27.114
0.001
+ NO
LOG KC
(C IN
MOLE/CO
19.602
11.576
5.644
3.659
2.665
2.065
1.664
1.377
1.162
0.994
0.859
0.750
0.661
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-6.653
-6.702
-6.503
-6.156
-5.849
-5.655
-5.590
-5.645
-5.796
-6.019
-6.296
-6.611
-6.957
CP S
(GIBBS/MOLE) (GIBBS/MOLE)
-0.470 -1.100
-0.002
0.646
0.691
0.513
0.258
U.002
-0.213
-0.382
-0.506
-0.596
-0.663
-0.717
PARAMETERS FOR KC
LOG A B
-0.762 0.17
STO ERROR OF ESTIMATE
X276.
THERMOCHEMICAL DATA
T
(OE6 K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-58.940
-58.922
-59.053
-59.239
-59.445
-59.707
-60.044
-60.461
-60.946
-61.483
-62.059
-62.658
-63.272
CP
(GIBBS/HOLE)
0.314
-0.083
-0.352
-0.383 '
-0.458
-0.595
-0.757
-0.905
-1.028
-1.120
-1.179
-1.216
-1.235
S
(GIBBS/HOLE)
1.931
1.983
1.813
1.663
1.546
1.430
1.306
1.179
1.050
0.922
0.802
0.687
0.579
LOG KC
(C IN
MOLE/CO
43.627
26.189
13.303
8.994
6.834
5.531
r.660
4.033
3.560
3.187
2.887
2.640
2.431
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
HN + 02
- H02
-1.239
-0.988
-0.706
-0.528
-0.441
-0.417
-0.433
-0.472
-0.525
-0.583
-0.644
-0.704
C
-6.653
0.004
+ N
LOG KC
(C IN
MOLE/CO
4.639
2.661
1.206
0.743
0.524
0.398
0.317
0.258
0.214
0.177
0.148
0.122
0.099
THERMOCHEMICAL DATA
H
(KCAL/MOLE)
27.953
27.890
28.076
28.343
28.569
28.696
28.714
28.634
28.497
28.344
28.213
28.136
28.131
CP S
(GIBBS/MOLE) (GIBBS/MOLE)
-0.680 -1.300
0.022
0.526
0.516
0.361
0.140
-0.078
-0.236
-0.315
-0.311
-0.234
-0.113
0.034
-1.478
-1.239
-1.022
-0.892
-0.834
-0.829
-0.854
-0.891
-0.929
-0.958
-0.976
-0.980
LOG KC
(C IN
MOLE/CC)
-20.769
-12.510
-6.404
-4.352
-3.315
-2.689
-2.272
-1.973
-1.749
-1.577
-1.440
-1.328
-1.235
PARAMETERS FOR KC
LOG A B C
0.765 -0.11 -58.940
STO ERROR OF ESTIMATE
0.003
PARAMETERS FOR KC
LOG A B C
-0.678 0.12 27.953
STO ERROR OF ESTIMATE
0.003
-------
4-71
X277.
HNO
HO
X278.
HNO + HNO
= H20 + N20
THERHOCHEHICAL DATA
THERMOCHEHICAL DATA
T
IOEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
98.657
99.317
100.119
100.382
100.510
100.621
100.754
100.935
101.193
101.555
102.044
102.681
103.475
CP
(GIBBS/HOLE)
3.856
2.681
0.846
U.324
0.217
0.232
0.301
0.423
0.600
0.829
1.103
1.402
1.711
S
(GIBBS/HOLE)
27.766
29.483
30.670
30.889
30.963
31.013
31.060
31.115
31.182
31.265
31.367
31.485
31.620
LOG KC
(C IN
HOLE/CO
-70.633
-41.578
-20.090
-12.964
-9.430
-7.329
-5.942
-4.959
-4.228
-3.664
-3.216
-2.850
-2.546
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-85.788
-85.633
-85.482
-85.442
-85.281
-84.973
-84.545
-84.019
-83.417
-82.754
-82.039
-81.278
-80.472
CP
(GIBBS/HOLE)
0.697
0.684
0.056
0.172
0.475
0.748
U.963
1.132
1.268
1.380
1.476
1.568
1.658
S
(GIBBS/HOLE)
-7.806
-7.407
-7.171
-7.142
-7.052
-6.914
-6.758
-6.597
-6.437
-6.281
-6.130
-5.985
-5.846
LOG KC
(C IN
MOLE/CC)
61.176
35.809
17.115
10.888
7.777
5.917
f.681
3.804
3.151
2.646
2.246
1.923
1.654
PARAMETERS FOR KC
LOG A B C
2.910 -0.47 98.657
STD ERROR OF ESTIMATE
0.012
PARAMETERS FOR KC
LOG A B C
-2.045 0.13 -85.788
STD ERROR OF ESTIMATE
U.002
X279.
HNO -I- HO
H2
+ N02
X280.
HNO
HO
H20 + NO
THERHOCHEHICAL DATA
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
( KCAL/MOLE 1
-25.382
-25.248
-24.739
-24.394
-24.176
-24.010
-23.857
-23.694
-23.501
-23.270
-22.997
-22.681
-22.326
CP
(GIBBS/HOLE)
0.283
0.923
0.901
0.535
0.361
0.313
0.307
0.349
0.422
0.506
0.589
0.672
0.751
S
(GIBBS/HOLE)
-8.059
-7.728
-7.022
-6.736
-6.611
-6.537
-6.480
-6.430
-6.379
-6.325
-6.268
-6.207
-6.145
LOG KC
(C IN
HOLE/CO
16.844
9.346
3.872
2.083
1.197
0.671
0.321
0.074
-0.110
-0.252
-0.364
-0.455
-0.530
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-69.510
-69.615
-70.019
-70.375
-70.608
-70.734
-70.776
-70.751
-70.678
-70.568
-70.426
-70.260
-70.071
CP
(GIBBS/MOLE)
-0.288
-0.695
-0.812
-0.593
-0.351
-0.158
-0.011
0.100
0.187
0.254
0.307
0.357
0.405
S
(GIBBS/MOLE)
-1.157
-1.415
-1.970
-2.262
-2.400
-2.456
-2.470
-2.464
-2.445
-2.419
-2.389
-2.357
-2.325
LOG KC
(C IN
HOLE/CO
50.698
30.118
14.872
9.759
7.190
5.647
..615
3.879
3.328
2.898
2.556
2.277
2.044
PARAMETERS FOR KC
LOG A B C
-2.604 0.31 -25.382
STD ERROR OF ESTIMATE = O.003
PARAMETERS FOR KC
LOG A B C
0.492 -0.27 -69.510
STD ERROR OF ESTIMATE
0.002
-------
4-72
X281.
HNO + HOZ
H20
N02
X282.
HNO + N
HO
N2
THERHOCHEHICAL DATA
THERNOCHEHICAL DATA
T
(DEC K>
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-78.688
-78.670
-78.842
-79.087
-79.254
-79.318
-79.295
-79.195
-79.035
-78.826
-78.573
-78.278
-77.945
CP S
(GIBBS/MOLE) (GIBBS/MOLE)
0.245 -4.663
-0.079
-0.500
-0.435
-0.229
-0.033
0.129
0.261
0.372
0.465
0.546
0.628
0.710
-4.609
-4.830
-5.030
-5.128
-5.157
-5.148
-5.118
-5.075
-5.026
-4.973
-4.917
-4.859
LOG KC
(C IN
MOLE/CO
56.659
33.378
16.175
10.424
7.539
5.807
4.651
3.826
3.209
2.729
2.348
2.036
1.778
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
PARAMETERS FOR KC
LOG A B C
-0.648 -0.12 -78.688
STD ERROR OF ESTIMATE
X283.
HNO + NO
= HO
0.001
+ N20
H
(KCAL/MOLE)
-127.273
-127.205
-127.655
-128.310
-128.914
-129.435
-129.894
-130.317
-130.735
-131.179
-131.676
-132.241
-132.883
CP
(GIBBS/MOLE)
0.881
-0.186
-1.275
-1.282
-1.120
-0.968
-0.866
-0.822
-0.843
-0.921
-1.039
-1.180
-1.324
PARAMETERS FOR
LOG A B
1.145 -0.35
STD ERROR OF ESTIMATE
X284.
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-16.278
-16.018
-15.463
-15.067
-14.673
-14.239
-13.769
-13.268
-12.739
-12.186
-11.613
-11.018
-10.401
CP
(GIBBS/MOLE)
0.985
1.379
U.868
0.765
0.826
0.906
0.974
1.032
1.081
1.126
1.169
1.211
1.253
S
(GIBBS/MOLE)
-6.649
-5.992
-5.201
-4.880
-4.652
-4.458
-4.288
-4.133
-3.992
-3.862
-3.741
-3.628
-3.521
LOG KC
1C IN
MOLE/CO
10.478
5.691
2.243
1.129
0.587
0.270
0.066
-0.075
-0.177
-0.252
-0.310
-0.354
-0.390
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
HNO + NO
S
(GIBBS/MOLE)
0.308
0.503
-0.077
-0.609
-0.955
-1.188
-1.355
-1.484
-1.595
-1.699
-1.801
-1.906
-2.016
KC
C
-127.273
0.008
LOG KC
(C IN
MOLE/CC)
93.355
55.707
27.880
18.560
13.877
11.053
y.165
7.811
6.792
5.997
5.359
4.836
4.396
* H02 + N2
THERMOCHEMICAL DATA
H
(KCAL/MOLE)
-40.380
-40.393
-40.526
-40.728
-40.900
-41.032
-41.136
-41.222
-41.292
-41.352
-41.404
-41.447
-41.480
CP
(GIBBS/MOLE)
-0.113
-0.081
-0.397
-0.383
-0.301
-0.233
-0.187
-0.153
-0.130
-0.112
-0.094
-0.077
-0.055
S
(GIBBS/MOLE)
-2.923
-2.958
-3.129
-3.294
-3.393
-3.452
-3.490
-3.517
-3.536
-3.550
-3.561
-3.569
-3.575
LOG KC
(C IN
MOLE/CC)
28.959
17.008
8.173
5.214
3.728
2.833
2.233
1.805
1.483
1.233
1.032
0.868
0.730
PARAMETERS FOR KC
L3G A B C
-2.537 0.40 -16.278
PARAMETERS FOR KC
LOG A B C
-0.299 -0.11 -40.380
STD ERROR OF ESTIMATE
0.000
STD ERROR OF ESTIMATE
0.002
-------
4-73
X285.
HNO + N02
H02 + N20
X286.
HNO + 0
HO
NO
THERMOCHEMICAL DATA
THERMOCHEHICAL DATA
T
(DEG K)
296
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-7.100
-6.963
-6.640
-6.355
-6.027
-5.655
-5.250
-4.824
-4.382
-3.928
-3.466
-3.000
-2.527
CP
(GIBBS/HOLE)
0.452
0.763
0.556
0.607
0.704
0.781
0.834
0.871
u.896
0.915
0.930
0.940
0.948
S
(GIBBS/MOLE)
-3.143
-2.798
-2.341
-2.112
-1.924
-1.757
-1.610
-1.479
-1.362
-1.255
-1.157
-1.068
-0.987
LOG KC
(C IN
MOLE/CO
4.517
2.431
0.940
0.464
U.238
0.110
0.030
-0.022
-0.058
-0.083
-0.102
-0.113
-0.124
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-52.287
-52.220
-52.550
-53.083
-53.596
-54.052
-54.454
-54.816
-55.150
-55.464
-55.763
-56.047
-56.315
CP
(GIBBS/HOLE)
0.784
-0.081
-0.998
-1.074
-0.971
-0.853
-0.759
-0.692
-0.646
-0.614
-0.583
-0.553
-0.518
S
(GIBBS/HOLE)
3.031
3.222
2.801
2.369
2.074
1.871
1.723
1.612
1.522
1.447
1.385
1.331
1.283
LOG KC
(C IN
HOLE/CO
38.988
23.528
12.097
8.251
0.310
5.133
-------
4-74
X289.
HNO * 02
H02 + NO
X290.
HO
HO
H2
* 02
THERHOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(BEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H CP S
(KCAL/HOLE) (GIBBS/HOLE) (GIBBS/HOLE)
2.780 0.172 2.997
2.795
2.704
2.538
2.352
2.116
1.812
1.436
0.998
0.512
-0.006
-0.545
-1.096
-0.007
-0.302
-0.347
-0.413
-0.536
-0.683
-0.818
-0.929
-1.010
-1.060
-1.092
-1.10B
PARAMETERS FOR KC
LOG A B
0.950 -0.09
X291.
STD ERROR
HO » HO
OF ESTIMATE
H20
3.040
2.926
2.792
2-685
2.581
2.470
2.355
2.237
2.122
2.014
1.911
1.814
C
2.780
0.003
+ 0
LOG KC
(C IN
MOLE/CO
-1.383
-0.558
0.049
0.240
0.330
0.379
0.407
0.425
0.435
0.439
0.440
0.440
0.436
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-18.984
-18.988
-18.620
-18.220
-17.882
-17.542
-17.150
-16.686
-16.142
-15.524
-14.844
-14.118
-13.356
CP
(GIBBS/MOLE)
-0.422
0.314
0.891
0.724
0.652
0.724
0.850
1.006
1.166
1.305
1.410
1.493
1.554
PARAMETERS FOR
LOG A B
-2.413 0.26
STO ERROR 3F ESTIMATE
X292.
THERMDCHEMICAL DATA
T
(DEG Kl
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H CP S
(KCAL/HOLE) (GIBBS/HOLE) (GIBBS/HOLE)
-17.223 -1.072 -4.188
-17.395
-17.469
-17.292
-17.012
-16.682
-16.322
-15.935
-15.528
-15.104
-14.663
-14.213
-13.756
-0.614
0.186
0.481
0.620
0.695
0.748
0.792
0.833
0.868
0.890
0.910
0.923
-4.637
-4.771
-4.631
-4.474
-4.327
-4.193
-4.076
-3.967
-3.866
-3.774
-3.688
-3.608
LOG KC
(C IN
MOLE/CO
11.710
6.590
i.775
1.508
U.880
0.514
0.272
0.104
-0.018
-0.112
-0.183
-0.241
-0.288
T
(OES K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
HO + H02
S
(GIBBS/MOLE)
-7.550
-7.574
-7.088
-6.760
-6.568
-6.417
-6.272
-6.131
-5.986
-5.840
-5.698
-5.558
-5.425
KC
C
-18.984
0.003
LOG KC
(C IN
MOLE/CO
12.266
e.644
2.520
1.178
0.518
0.132
-0.122
-0.298
-0.426
-0.522
-0.596
-0.654
-0.700
= H20 + 02
THERMOCHEMICAL DATA
H
(KCAL/MOLE)
-72.290
-72.410
-72.723
-72.913
-72.960
-72.850
-72.588
-72.187
-71.676
-71.080
-70.420
-69.715
-68.975
CP
(GIBBS/MOLE)
-0.460
-0.688
-0.510
-0.246
0.062
0.378
0.672
0.918
1.116
1.264
1.367
1.449
1.513
S
(GIBBS/MOLE)
-4.154
-4.455
-4.896
-5.054
-5.085
-5.037
-4.940
-4.819
-4.682
-4.541
-4.403
-4.268
-4.139
LOG KC
(C IN
HOLE/CO
52.081
30.676
14.823
9.519
6.860
5.266
4.208
3.454
2.893
2.459
2.116
1.837
1.608
PARAMETERS FOR KC
LOG A B C
-1.035 0.01 -17.223
PARAMETERS FOR KC
LOG A B C
-0.457 -0.17 -72.290
STD ERROR OF ESTIMATE
0.009
STD ERROR OF ESTIMATE
0.005
-------
4-75
X293.
HO + H20
H02 + H2
X294.
HO
NO
H02
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
53.306
53.422
54.103
54.693
55.078
55.308
55.438
55.501
55.534
55.556
55.576
55.597
55.619
CP S
(GIBBS/MOLE) (GIBBS/MOLE)
0.038 -3.396
1.002
1.401
0.970
0.590
0.346
0.178
0.088
0.050
0.041
0.043
0.044
0.041
PARAMETERS FOR KC
LOG A B
-1.955 0.43
STD ERROR OF ESTIMATE
X29S.
HO + N02
H02
-3.119
-2.192
-1.706
-1.483
-1.380
-1.332
-1.312
-1.304
-1.299
-1.295
-1.290
-1.286
C
53.306
0.002
+ NO
LOG KC
(C IN
MOLE/CO
-39.815
-24.032
-12.303
-8.341
-6.342
-5.136
-4.330
-3.752
-3.319
-2.981
-2.712
-2.491
-2.308
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H CP
(KCAL/MOLE) (GIBBS/MOLE)
86.893 -0.994
86.812
87.129
87.582
88.014
88.403
88.758
89.095
89.443
89.827
90.272
90.794
91.403
0.105
0.878
0.899
0.819
0.735
0.679
0.669
U.713
0.809
0.945
1.103
1.269
PARAMETERS FOR
LOG A B
-1.444 0.24
X296.
THERMOCHEMICAL DATA
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
y.178
9.055
u.823
8.712
8.646
8.584
0.519
8.444
8.357
8.258
8.147
8.018
7.874
CP S
(GIBBS/MOLE) (GIBBS/HOLE)
-0.533 3.506
-0.616
-0.312
-0.158
-0.122
-0.125
-0.140
-0.161
-0.185
-0.211
-0.239
-0.271
-0.305
J.194
2.860
2.768
2.728
2.701
2.678
2.654
2.630
2.607
2.584
2.560
*.534
LOG KC
(C IN
MOLE/CO
-5.961
-3.260
-1.303
-0.665
-0.349
-0.160
-0.036
0.053
0.119
0.169
U.208
0.241
0.266
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
STD ERROR
HO + N20
OF ESTIMATE
S
(GIBBS/MOLE)
-3.231
-3.461
-3.052
-2.685
-2.438
-2.264
-2.135
-2.033
-1.941
-1.851
-1.760
-1.663
-1.559
KC
C
86.893
0.006
LOG KC
(C IN
MOLE/CO
-64.396
-38.699
-19.707
-13.346
-10.149
-8.220
-6.932
-6.006
-5.309
-4.764
-4.327
-3.968
-3.666
H02 + N2
THERMOCHEMICAL DATA
H CP
(KCAL/MOLE) (GIBBS/MOLE)
-24.102 -1.098
-24.375
-25.063
-25.661
-26.227
-26.793
-27.367
-27.954
-28.553
-29.166
-29.791
-30.429
-31.079
-1.460
-1.265
-1.148
-1.127
-1.139
-1.161
-1.185
-1.211
-1.238
-1.263
-1.288
-1.308
S
(GIBBS/HOLE)
3.726
3.034
2.072
1.586
1.259
1.006
0.798
0.616
0.456
0.312
0.180
0.059
-0.054
LOG KC
(C IN
HOLE/CO
18.481
11.317
5.930
4.085
3.141
2.563
2.167
1.880
1.660
1.485
1.342
1.222
1.120
PARAMETERS FOR KC
L3G A 8 C
1.141 -0.14 9.178
STD ERROR OF ESTIMATE
0.002
PARAMETERS FOR KC
LOG A B C
2.238 -0.52 -24.102
STD ERROR OF ESTIMATE
0.002
-------
4-76
X297.
HO
+ H
= H02
+ M
X298.
HO
02
H02
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2SOO
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-64.051
-64.725
-65.540
-65.883
-66.092
-66.270
-66.450
-66.656
-66.900
-67.192
-67.535
-67.934
-68.387
CP
(GIBBS/HOLE)
-4.066
-2.657
-0.966
-0.499
-0.369
-0.350
-0.381
-0.446
-0.533
-0.634
-0.741
-0.852
-0.960
S
(GIBBS/HOLE)
-27.966
-29.722
-30.921
-31.205
-31.327
-31.406
-31.472
-31.536
-31.601
-31.669
-31.742
-31.817
-31.896
LOG KC
(C IN
MOLE/CO
45.225
26.407
12.480
7.869
5.591
4.242
3.353
2.728
2.265
1.910
1.628
1.400
1.212
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
55.067
55.015
55.254
55.621
55.948
56.168
56.266
S6..252
56.148
55.976
55.757
55.502
55.219
CP
(GIBBS/HOLE)
-0.612
0.074
0.696
0.727
0.558
0.317
0.076
-0.126
-0.283
-0.396
-0.477
-0.539
-0.590
S
(GIBBS/HOLE)
-0.034
-0.182
0.125
0.423
0.611
0.710
0.747
0.743
0.715
0.675
0.629
0.580
0.531
LOG KC
(C IN
HOLE/CO
-40.371
-24.086
-12.048
-8.011
-5.980
-4.754
-3.936
-3.350
-2.911
-2.571
-2.299
-2.078
-1.896
PARAMETERS FOR KC
LOG A B C
-2.826 0.43 -64.051
STD ERROR OF ESTIMATE
0.011
PARAMETERS FOR KC
LOG A B C
-0.578 0.18 55.067
STD ERROR OF ESTIMATE = 0.003
X299.
H2
NO
H20
X300.
H2 + N02
H20
NO
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
33.587
33.390
33.026
32.889
32.936
33.095
33.320
33.594
33.909
34.271
34.696
35.197
35.784
CP
(GIBBS/MOLE)
-1.032
-0.897
-0.523
-0.071
0.229
U.389
0.501
0.581
0.663
0.768
0.902
1.059
1.228
S
(GIBBS/MOLE)
0.165
-0.342
-0.860
-0.979
-0.955
-0.884
-0.803
-0.721
-0.637
-0.552
-0.465
-0.373
-0.273
LOG KC
(C IN
MOLE/CO
-24.581
-14.667
-7.404
-5.005
-3.807
-3.084
-2.602
-2.254
-1.990
-1.783
-1.615
-1.477
-1.358
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-44.128
-44.367
-45.280
-45.981
-46.432
-46.724
-46.919
-47.057
-47.177
-47.298
-47.429
-47.579
-47.745
CP
(GIBBS/MOLE)
-0.571
-1.618
-1.713
-1.128
-0.712
-0.471
-0.318
-0.249
-0.235
-0.252
-0.282
-0.315
-0.346
S
(GIBBS/MOLE)
6.902
e.313
5.052
4.474
4.211
4.081
4.010
3.966
3.934
3.906
3.879
3.850
3.820
LOG KC
(C IN
MOLE/CO
33.854
20.772
11.000
7.676
5.993
4.976
4.294
3.805
3.438
3.150
2.920
2.732
2.574
PARAMETERS FOR KC
LOG A B C
0.511 -0.19 33.587
PARAMETERS FOR KC
LOG A B C
3.097 -0.58 -44.128
STO ERROR OF ESTIMATE
0.008
STD ERROR OF ESTIMATE - 0.005
-------
4-77
X301.
H2
N20
H2D
N2
X302.
H2
H20
THERHOCHEHICAL DATA
THERHDCHEHICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-77.408
-77.797
-79.166
-80.354
-81.305
-82.101
-82.805
-83.455
-84.087
-84.722
-85.367
-86.026
-86.698
CP
(GIBBS/HOLE)
-1.136
-2.462
-2.666
-2.118
-1.717
-1.485
-1.339
-1.273
-1.261
-1.279
-1.306
-1.332
-1.349
S
(GIBBS/HOLE)
7.122
6.153
4.264
3.292
2.742
2.386
2.130
1.928
1.760
1.611
1.475
1.349
1.232
LOG KC
(C IN
MOLE/CO
58.296
35.349
18.233
12.426
9.483
7.699
6.497
5.632
4.979
t.466
4.054
3.713
3.428
T
(DES K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
1KCAL/MOLE)
-117.357
-118.147
-119.643
-120.576
-121.170
-121.578
-121.888
-122.157
-122.434
-122.748
-123.111
-123.531
-124.006
CP
(GIBBS/HOLE)
-4.104
-3.659
-2.367
-1.469
-0.959
-0.696
-0.559
-0.534
-0.583
-0.675
-0.784
-0.896
-1.001
S
(GIBBS/HOLE)
-24.570
-26.603
-28.729
-29.499
-29.844
-30.026
-30.140
-30.224
-30.297
-30.370
-30.447
-30.527
-30.610
LOG KC
(C IN
HOLE/CO
85.040
50.439
24.783
16.210
11.933
9.378
(.683
0.480
5.584
4.891
f.340
3.891
3.520
PARAMETERS FOR KC
LOG A B C
4.194 -0.96 -77.408
STO ERROR OF ESTIMATE
0.001
PARAMETERS FOR KC
LOG A B C
-0.870 -0.00 -117.357
STD ERROR OF ESTIMATE
0.013
X303.
H2
02
H20
X304.
N2
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
600O
H
(KCAL/MOLE)
1.761
1.593
1.151
0.928
0.870
0.860
U.828
0.751
u.614
0.420
0.181
-0.095
-0.400
CP
(GIBBS/MOLE)
-0.650
-0.928
-0.705
-0.243
-0.032
-0.029
-0.102
-0.214
-0.333
-0.437
-0.520
-0.583
-0.631
S
(GIBBS/MOLE)
3.362
2.937
2.317
2.129
2.094
2.090
2.079
2.055
2.019
1.974
i.924
1.870
1.817
LOG KC
(C IN
MOLE/CO
-0.556
-0.054
0.255
0.330
U.362
0.382
0.394
0.402
0.408
U.410
0.413
0.413
0.412
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/HOLE)
-225.930
-226.522
-227.774
-228.692
-229.424
-230.056
-230.648
-231.252
-231.928
-232.734
-233.720
-234.922
-236.358
CP
(GIBBS/MOLE)
-2.975
-2.867
-2.121
-1.606
-1.337
-1.200
-1.167
-1.245
-1.443
-1.750
-2.142
-2.582
-3.035
S
(GIBBS/MOLE)
-27.458
-28.980
-30.747
-31.498
-31.918
-32.201
-32.415
-32.599
-32.777
-32.964
-33.168
-33.391
-33.636
LOG KC
(C IN
MOLE/CO
163.988
97.285
47.970
31.524
23.307
18.382
15.107
12.770
11.020
9.661
0.575
7.686
6.942
PARAMETERS FOR KC
LOG A B C
1.377 -0.24 1.761
STD ERROR 3F ESTIMATE
0.006
PARAMETERS FOR KC
LOG A B C
-1.765 0.11 -225.930
STD ERROR OF ESTIMATE
0.004
-------
4-78
X305.
« NO
N2
X306.
+ NO * M
N20
THERHDCHEHICAL DATA
THERMOCHEHICAL DATA
T
(DEG K)
298
SOO
1000
1SOO
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-74.986
-74.985
-75.105
-75.227
-75.318
-75.383
-75.440
-75.501
-75.585
-75.715
-75.913
-76.194
-76.568
CP
(GIBBS/HOLE)
0.097
-0.105
-0.277
-0.208
-0.149
-0.115
-0.107
-0.130
-0.197
-0.307
-0.456
-0.627
-0.806
S
(GIBBS/MOLE)
-2.723
-2.719
-2.878
-2.978
-3.029
-3.059
-3.078
-3.096
-3.117
-3.146
-3.186
-3.237
-3.299
LOG KC
(C IN
MOLE/CO
54.367
32.179
15.783
10.309
7.567
5.920
4.822
4.036
3.446
2.987
2.620
2.318
2.064
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
PARAMETERS FOR KC
LOG A B C
-0.383 -0.07 -74.986
STD ERROR OF ESTIMATE
X307.
N + NQ2
NO
0.001
+ NO
H
(KCAL/MOLE)
-114.935
-115.335
-115.582
-115.449
-115.183
-114.860
-114.523
-U4;203
-113.932
-113.741
-113.657
-113.699
-113.876
CP
(GIBBS/MOLE)
-2.871
-1.302
0.022
0.441
0.609
0.674
0.673
0.609
0.481
0.297
0.066
-0.191
-0.458
PARAMETERS FOR
LOG A B
-5.448 0.88
STD ERROR OF ESTIMATE
X308.
THERMOCHEHICAL DATA
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-77.715
-77.757
-78.306
-78.870
-79.368
-79.819
-80.239
-80.651
-81.086
-81.569
-82.125
-82.776
-83.529
CP
(GIBBS/MOLE)
0.461
-0.721
-1.190
-1.057
-0.941
-0.860
-0.819
-0.830
-0.898
-1.020
-1.184
-1.374
-1.574
S
(GIBBS/MOLE)
6.737
0.655
5.912
5.453
5.166
4.965
4.813
t.687
4.571
4.458
4.344
4.223
4.093
LOG KC
(C IN
MOLE/CO
58.435
35.439
18.404
12.681
9.800
0.060
6.896
0.059
5.428
4.933
*.535
4.209
3.932
T
(DEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
N + N02
N2
S
(GIBBS/MOLE)
-34.415
-35.475
-35.871
-35.769
-35.615
-35.471
-35.348
-35.248
-35.174
-35.127
-35.108
-35.113
-35.141
KC
C
-114.935
0.012
+ 02
LOG KC
(C IN
MOLE/CO
81.111
47.269
22.333
14.093
10.017
7.599
6.008
4.884
4.051
3.412
2.906
2.496
2.156
THERMOCHEM1CAL DATA
H
(KCAL/MOLE)
-120.875
-120.945
-121.536
-122.136
-122.620
-122.967
-123.187
-123.309
-123.376^
-123.433
-123.523
-123.678
-123.913
CP
(GIBBS/MOLE)
0.176
-0.795
-1.285
-1.093
-0.829
-0.557
-0.323
-0.165
-0.099
-0.122
-0.218
-0.359
-0.521
S
(GIBBS/MOLE)
0.817
U.657
-0.143
-0.633
-0.912
-1.068
-1.147
-1.185
-1.202
-1.214
-1.231
-1.257
-1.296
LOG KC
(C IN
MOLE/CO
88.777
53.005
26.528
17.655
13.198
10.514
8.722
7.439
6.476
5.727
5.127
4.637
4.226
PARAMETERS FOR KC
LOG A B C
2.585 -0.38 -77.715
STD ERROR OF ESTIMATE
0.003
PARAMETERS FOR KC
LOG A B C
1.336 -0.40 -120.875
STD ERROR OF ESTIMATE - 0.002
-------
4-79
X309.
+ NOZ
N20 + 0
X310.
N20
NO
N2
THERMOCHEHICAL DATA
THERMQCHEMICAL DATA
T
IOEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-41.706
-41.555
-41.219
-40.854
-40.445
-40.006
-39.554
-39.103
-38.675
-38.291
-37.975
-37.747
-37.615
CP
(GIBBS/MOLE)
0.662
0.739
0.676
u.782
0.856
0.899
0.914
0.894
0.829
0.720
0.568
0.390
u.197
PARAMETERS FOR
LOG A B
-1.480 0.30
STD ERROR OF ESTIMATE
X311.
N 4-0
* M = NO
S
(GIBBS/MOLE)
-2.943
-2.559
-2.090
-1.796
-1.560
-1.364
-1.198
-1.058
-0.943
-0.851
-0.782
-0.736
-0.711
KC
C
-41.706
0.004
t M
LOG KC
(C IN
MOLE/CO
29.925
17.602
8.550
5.559
4.077
3.197
2.619
2.209
1.905
1.671
1.486
1.337
1.210
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H CP
(KCAL/MOLE) (GIBBS/MOLE)
-110.995 -0.104
-111.187
-112.192
-113.243
-114.241
-115.196
-116.125
-117.049
-117.996
-118.993
-120.063
-121.223
-122.482
-1.565
-2.143
-2.047
-1.946
-1.874
-1.840
-1.854
-1.924
-2.047
-2.208
-2.391
-2.577
PARAMETERS FOR
LOG A B
3.682 -0.76
X312.
THERMOCHEMICAL DATA
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000.
H
(KCAL/MOLE)
-150.944
-151.537
-152.669
-153.465
-154.106
-154.673
-155.208
-155.751
-156.343
-157.019
-157.807
-158.728
-159.790
CP
(GIBBS/MOLE)
-3.072
-2.762
-1.844
-1.398
-1.188
-1.085
-1.060
-1.115
-1.246
-1.443
-1.686
-1.955
-2.229
S
(GIBBS/HOLE)
-24.735
-26.261
-27.869
-28.520
-28.889
-29.142
-29.337
-29.503
-29.660
-29.818
-29.982
-30.154
-30.337
LOG KC
(C IN
MOLE/CO
109.621
65.106
32.187
21.215
15.740
12.462
10.285
8.734
7.574
0.674
5.955
3.368
4.878
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
STD ERROR
N +02
S
(GIBBS/MOLE)
0.957
6.495
5.124
4.271
3.697
3.270
2.933
2.649
2.397
2.163
1.940
1.722
1.505
KC
C
-110.995
LOG KC
(C IN
HOLE/CO
82.877
50.016
25.637
17.431
13.290
10.783
9.099
7.886
6.969
6.249
5.669
5.190
4.786
OF ESTIMATE 0.008
= NO
* 0
THERMOCHEMICAL DATA
H CP
(KCAL/MOLE) (GIBBS/HOLE)
-31.826 0.382
-31.797
-31.875
-31.961
-32.066
-32.235
-32.492
-32.843
-33.295
-33.851
-34.515
-35.292
-36.184
-0.031
-0.182
-0.172
-0.261
-0.418
-0.603
-0.795
-0.996
-1.205
-1.422
-1.642
-1.859
S
(GIBBS/MOLE)
3.197
3.279
3.177
3.108
3.049
2.974
2.882
2.776
2.656
2.526
2.389
2.243
2.090
LOG KC
(C IN
MOLE/CC)
24.025
14.613
7.659
5.335
4.169
3.466
2.996
2.656
2.398
2.193
2.028
1.890
1.770
PARAMETERS FOR KC
LOG A B C
-1.382 0.19 -150.944
STD ERROR OF ESTIMATE
U.005
PARAMETERS FOR KC
LOG A B C
0.865 -0.05 -31.826
STD ERROR OF ESTIMATE = 0.002
-------
4-80
X313.
02
N02
X314.
NO
NO
N2
02
THERMOCHEMICAL DATA
THERMOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-105.055
-105.577
-106.238
-106.556
-106.804
-107.089
-107.461
-107.943
-108.552
-109.301
-110.197
-111.244
-112.445
CP
(GIBBS/MOLE)
-3.151
-2.072
-0.836
-0.513
-0.508
-0.643
-0.844
-1.080
-1.344
-1.628
-1.924
-2.223
-2.514
PARAMETERS FOR
LOG A B
-3.102 0.52
STD ERROR OF ESTIMATE
X315.
NO + NO
S
(GIBBS/MOLE)
-28.275
-29.637
-30.604
-30.865
-31.006
-31.133
-31.268
-31.414
-31.575
-31.750
-31.937
-32.134
-32.340
KC
C
-105.055
0.006
LOG KC
-------
4-81
X317.
NO + N20
N02
N2
X31B.
NO
N02
THERHOCHEMICAL DATA
THERHOCHEMICAL DATA
T
tOEG K)
298
500
1000
1500
2000
2SOO
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-33.280
-33.430
-33.886
-34.373
-34.873
-35.377
-35.886
-36.398
-36.910
-37.424
-37.938
-38.447
-38.953
CP
(GIBBS/MOLE)
-0.565
-0.844
-0.953
-0.990
-1.005
-1.014
-1.021
-1.024
-1.026
-1.027
-1.024
-1.017
-1.003
PARAMETERS FOR
LOG A B
1.097 -0.37
S
(GIBBS/MOLE)
0.220
-0.160
-0.788
-1.182
-1.469
-1.695
-1.880
-2.038
-2.174
-2.295
-2.404
-2.501
-2.588
KC
C
-33.280
LOG KC
(C IN
MOLE/CO
24.442
14.577
7.233
4.750
3.490
2.723
2.203
1.827
1.541
1.316
1.134
0.981
0.854
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-73.229
-73.780
-74.363
-74.595
-74.738
-74.854
-74.969
-75.100
-75.257
-75.450
-75.682
-75.952
-76.261
CP
(GIBBS/HOLE)
-3.533
-2.041
-0.654
-0.341
-0.247
-0.225
-0.241
-0.285
-0.348
-0.423
-0.502
-0.581
-0.655
PARAMETERS FOR
L3G A B
-3.967 0.57
STO ERROR OF ESTIMATE = 0.004
X319.
NO + 02
» N02 » 0
X320.
THERHOCHEMICAL DATA
T
IDEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
600Q
H
(KCAL/MOLE)
45.889
45.960
46.431
46.909
47.302
47.584
47.747
47.808
47.791
47.718
47.610
47.484
47.345
CP
(GIBBS/MOLE)
-0.079
0.690
1.008
0.885
0.680
0.442
0.216
0.035
-0.098
-0.185
-0.238
-0.268
-0.285
S
(GIBBS/MOLE)
-3.540
-3.376
-2.735
-2.345
-2.117
-1.991
-1.931
-1.911
-1.915
-1.932
-1.955
-1.980
-2.003
LOG KC
(C IN
HOLE/CO
-34.410
-20.826
-10.745
-7.346
-5.631
-4.594
-3.900
-3.403
-3.030
-2.740
-2.507
-2.319
-2.162
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
S
(GIBBS/MOLE)
-31.472
-32.916
-33.781
-33.973
-34.055
-34.107
-34.150
-34.190
-34.231
-34.276
-34.326
-34.377
-34.430
KC
C
-73.229
LOG KC
(C IN
HOLE/CO
51.186
29.667
13.783
8.534
5.940
4.402
3.389
2.675
2.146
1.741
1.420
1.159
0.946
STO ERROR OF ESTIMATE 0.008
N2 + 0
+ M - N20 * M
THERHOCHEMICAL DATA
H
(KCAL/MOLE)
-39.949
-40-350
-40.477
-40.222
-39.865
-39.477
-39.083
-38.702
-38.347
-38.026
-37.744
-37.505
-37.308
CP
(GIBBS/MOLE)
-2.968
-1.197
0.299
0.649
0.758
0.789
0.780
0.739
0.678
0.604
0.522
0.436
0.348
S
(GIBBS/HOLE)
-31.692
-32.756
-32.993
-32.791
-32.586
-32.412
-32.270
-32.152
-32.057
-31.981
-31.922
-31.876
-31.842
LOG KC
(C IN
HOLE/CO
26.744
15.090
6.550
3.784
2.450
1.679
1.186
0.848
0.605
0.425
0.286
0.178
0.092
PARAMETERS FOR KC
LOG A 8 C
-1.719 0.33 45.889
STO ERROR OF ESTIMATE
0.001
PARAMETERS FOR KC
LOG A B C
-5.065 0.95 -39.949
STD ERROR 3F ESTIMATE = 0.013
-------
4-82
X321.
N2 + 02
N20 * 0
X322.
02
+ H
THERMOCHEHICAL DATA
THERHOCHEMICAL DATA
T
(DEC K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
79.169
79.390
80.317
81.282
82.175
82.961
83.633
84.206
84.701
85.142
85.548
85.931
86.298
CP
(GIBBS/HOLE)
0.486
1.534
1.961
1.875
1.685
1.456
1.237
1.059
0.928
0.842
0.786
0.749
0.718
S
(GIBBS/HOLE)
-3.760
-3.216
-1.947
-1.163
-C.64B
-0.296
-0.051
0.127
0.259
0.363
0.449
0.521
0.585
LOG KC
(C IN
HOLE/CO
-58.852
-35.403
-17.978
-12.096
-9.121
-7.317
-6.103
-5.230
-4.571
-4.056
-3.641
-3.300
-3.016
T
(OEG K)
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
H
(KCAL/MOLE)
-119.118
-119.740
-120.794
-121.504
-122.040
-122.438
-122.716
-122.908
-123.048
-123.168
-123.292
-123.436
-123.606
CP
(GIBBS/HOLE)
-3.454
-2.731
-1.662
-1.226
-0.927
-0.667
-0.457
-0.320
-0.250
-0.238
-0.264
-0.313
-0.370
S
(GIBBS/HOLE)
-27.932
-29.540
-31.046
-31.628
-31.938
-32.116
-32.219
-32.279
-32.316
-32.344
-32.371
-32.397
-32.427
LOG KC
(C IN
MOLE/CO
85.596
50.493
24.528
15.880
11.571
8.996
7.289
6.078
5.176
4.481
3.927
9.478
3.108
PARAMETERS FOR KC
LOG A B C
-2.817 0.71 79.169
STO ERROR OF ESTIMATE
0.005
PARAMETERS FOR KC
LOG A B C
-2.248 0.24 -119.118
STD ERROR OF ESTIMATE
0.007
-------
5-1
5. TABLES OF KINETIC DATA
This section contains tables of kinetic data for reactions found
in the literature for the 25 primary species*. The reactions are organized
by reaction number as indicated in Section 3. For a given reaction number,
data on the forward direction are given first followed by data on the re-
verse; the data are further organized by reference number. Where the REF
column is blank, the entry is a continuation of the previous entry.
The headings for the table are as follows:
Heading
REF
DIR
Description
Reference code - listed in Section 9
Year of publication
Direction of reaction
F = Forward
R = Reverse
ORD
A
B
C
note:
Order of reaction as studied 0, 1, 2, 3
Common logarithm of pre exponential factor (mole-cc-sec)
significant figures indicated by mantissa
uncertainty in A indicated in parenthesis
Exponent of T
Activation energy (kcal/mole)
uncertainty indicated in parenthesis
k -
Temperature at which reaction was studied
- where no temperature is indicated, the review or
calculation did not indicate a temperature range.
- experimental references are accompanied by a
temperature; where room temperature was implied
298-300K was assumed.
EXPERIMENTAL
TYP
Notes on experimental details
Type of reference
X = experimental
R = review or evaluation
C = calculation or estimate
COMMENTS
Further information on the entry
The literature was not searched for reactions of CH_0 which was included
in the reaction list subsequent to the search.
-------
5-2
When the B and C columns are blank, the determination was for
one temperature only and B and C were not determined. Where a zero is
found in the B and C columns, the determination was over a range of
temperatures and the zero values were either given or implied.
-------
5-3
REF OIK ORD
Tl F 2
1967
CM
CHN
CH2 » CN
EXPERIMENTAL
TYP COMMENTS
C JOHNSTON-PARR CALC
REF DIR ORO
CH + CHO
8 C
Tl F 2 11.I 0.5
1967
F 2 10.5 0.7
CH2 * CO
T EXPERIMENTAL
TYf> COMMENTS
C ORDER MAGNITUDE EST
C JOHNSTON-PARR CALC
3. CH + CH20
REF DIR ORD A 8 C T
Tl F 2 10.3 0.5
1967
F 2 11.04 0.7
- CHO * CH2
EXPERIMENTAL
TYP COMMENTS
C ESTIMATED BY ANALOGY
C JOHNSTON-PARR CALC
REF OIR ORO
CH * CH20
- CH3 » CO
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
-------
5-4
REF DIR ORD
CH * CH3
C
Tl F 2 11.08 U.I
1967
Tl It 2
1967
11.f U.3
CH2 » CH2
T EXPERIMENTAL
TYP COMMENTS
C JOHNSTON-PARR CALC
C ORDER MAGNITUDE EST
CH
CH30
KEF DIR ORD
REF DIR ORD
> CHO + CH3
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
- CH2 » CH20
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
TYP COMMENTS
CH * CH30
REF DIR ORD
CH* * CO
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
-------
5-5
REF DIR ODD
CH t CH*
8 C
Tl F 2 11.38 0.7
1967
F 2 11.I 0.5
« CH2 » CHS
T EXPERIMENTAL
TYP COMMENTS
C JOHNSTON-PARR CALC
C ORDER MAGNITUDE EST
REF DIR ORD
CH » C02
C
Tl F 2 10.0 0.5
1967
- CHO + CO
EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
REF DIR ORD
11.
CH + H
C
El F 2 12.15 O.S u.
1963 1-0.5 )
Tl F 2 11.7
1967
0.5
M CH2
T EXPERIMENTAL
TYP COMMENTS
C ESTIMATED
C ESTIMATED (REF El)
12.
RFF DIR DRO A
M8 R 2 11.78
1967
CH
0.67 40.5
CHN » H
EXPERIMENTAL
1000-
4000
TYP COMMENTS
C JOHNSTON-PARR CALC
-------
5-6
13. CM » HN « CH2 » N
REF OIR ORD A B C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
1*. CH -t HN " CN » H2
REF PIR ORD A B C T EXPERIMENTAL TYP COMMENTS
N28 F 2 12.20 0.56 2.1 C JOHNSTON-PARR CALC
1966
It. CH » HNO CHN + HO
REF DIR ORO A b C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
16. CH » HNO ' CHO » HN
REF OIR ORO ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
5-7
17. CH » HMD
REF DIR ORB A B C
Tl F 2 11.80 0.5 0.
1967
' CH2 > NO
EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
16.
CH
HNO
REF DIR ORO
19.
CH
REF OIR ORO
- CH20 * N
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
CN * H20
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
20. CH
REF DIR ORD A B L
Tl F 2 11.1 0.5 10.
1967
HO - CHO * H
T EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
-------
5-8
REF OH ORD
21. CH * HD
B C
H28 f Z 11.38 0.55 ,. 1
1966
MS R 2 11.26 0.68 25. /
1967
Tl R 2 11.51 0.7 26.
1967
CHZ +0
T EXPERIMENTAL
1000-
*000
TYP COMMENTS
C JOHNSTON-PARR CALC
C JOHNSTON-PARR CALC
C ORDER MAGNITUDE EST
22.
REF DIR ORD
23.
REF DIR ORD
' CH20 * M
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
CO * H2
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
CH
H02
REF DIR ORD A
Tl F 2 11.f
1967
C
6.
« CHO » HO
EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
-------
5-9
CH
H02
REF OIR 3RD A
Tl F 2 10.0
1967
0.5 IS.
CH2 * 02
EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
26.
CH
H02
REF DIR ORD
27.
CH
H02
REF DIR ORD
> CH20 * 0
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
-CO + H20
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
28.
CH
H02
REF OIR ORD
" C02 * H2
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
-------
5-10
KEF DIR ORD
29. CM » H2
I) C
» CH2 » H
T EXPERIMENTAL
H28 F 2 11.87 0.57 6.0
1966
El R 2 12.IS 0.5 25.
1963
M8 R Z 11.43 0.67 25.7 1000-
1967 4000
Tl R 2 11.46 u.i 26.
1967
TYP COMMENTS
C JOHNSTON-PARR CALC
C ESTIMATED
C JOHNSTON-PARR CALC
C ESTIMATED IREF El)
+JOHNSTON-PARR CALC
REF DIR ORD
REF OIR ORO
CH
H2
31.
CH
H20
> CH3
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
» CHO » H2
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TVP COMMENTS
TYP COMMENTS
CH
H23
REF DIR ORD A
Tl R 2 II.I
1967
C
6.
> CH2 * HO
EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
-------
5-11
33. CH * HZO CH20 « H
REF DIR ORD ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
34. CH » H20 CH3 + 0
REF DIR ORO ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
35. CH * HZO + H > CH30 » H
REF DIR ORD ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
36. CH + N + M - CHN * H
REF DIR ORD ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
5-12
37. CH < N - CN * H
«EF DIR ORO ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
38. CH * HO CHN » 0
REF DIR ORD ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
39. CH » NO > CHO + N
REF DIR ORD A a C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
40. CH * NO » CN * HO
REF DIR ORD A B C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
5-13
41. CH + NO - CO + HN
REF DIR ORO ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
42. CH t N02 - CHN » 02
REF OIR ORO ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
43. CH » N02 - CHO * NO
REF OIR ORD A 8 C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
44. CH + N02 CN » H02
REF OIR ORD A B C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
5-14
45. CH + N02 - CO » HNO
REF DIR ORD A b C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
4&. CH + N02 - C02 t HN
REF OIR ORD ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
*7. CH » NZ » CHN + N
REF DIR ORD ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
48. CH » N2 - CN » HN
REF DIR ORD ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
REF OIR ORD
49. CH + N20
B C
50.
N20
REF DIR ORO
CH » N20
REF DIR ORD
5-15
> CHN * NO
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
- CHO » N2
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
- CN + HNO
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
52. CH * 0
REF DIR ORO ABC
Tl F 3 16.0 -0.5 u.
1967
CHO + M
EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
-------
5-16
REF 01* ORD A
Tl F 2 11./
1967
CM » 0
C
CO * H
EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
02
REF DIR ORO A
Tl F 2 11.1
1967
0.5
CHO + 0
EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
55.
02
REF OIR ORO
-CO » HO
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
56.
REF OIR ORO
CH
02
C02 » H
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA AANK
AT THIS TIME
TYP COMMENTS
-------
5-17
57. C
REF OIR ORO A 8
Tl R 3 16.5 -0.5
1967
* CN » H
EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
58. CHN * CHO
REF DIR ORD ABC
Tl R 2 U.OB 0.7 3.
1967
CH20 * CN
T EXPERIMENTAL
TYP COMMENTS
C JOHNSTON-PARR CALC
59. CHN * CH2
REF OIR ORO ABC
Tl R 2 10.95 0.7 i.
1967
- CHS * CN
EXPERIMENTAL
TYP COMMENTS
C JOHNSTON-PARR CALC
REF DIR ORD
CHN * CH20
- CH30 * CN
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
-------
5-18
REF OIK ORD
61. CHN > CH3
ABC
869 It
1971
2 11.65
I 0.01
678 R 2 11.a
1968
Tl R 2
1967
11.46 0.7
- CH4 CM
EXPERIMENTAL TYP COMMENTS
300 GAS PHASE RAOIOLYSIS
C2N2/AR NIX
687 CAPACITY FLO" REACT. X UPPER UNIT
JOHNSTON-PARR CALC
62. CHN * CO
REF OIR ORD ABC
Tl R 2 11.28 0.9 0.
1967
- CHO *. CN
EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
REF OIR ORD
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
64. CHN « H - CN « H2
REF OIR ORU A B C T EXPERIMENTAL
MB F 2 11.32 0.69 18.4 1000-
1967 4000
Tl F 2 11.42 0.7 IB.
1967
H2 R 2 11.66
1967
M2B R 2 11.96 0.96 6.4
1966
Tl R 2 11.0 0.5 ».
1967
TYP COMMENTS
C JOHNSTON-PARR CALC
C JOHNSTON-PARR CALC
R SURVEY
e APPROX ZERO
C JOHNSTON-PARR CALC
C ORDER MAGNITUDE EST
-------
5-19
65. CHS * HN > CH2 + N2
KEF DIR ORO ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
66. CHN * HNO « CH2 * N20
REF OIR ORD ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
67. CHN * HNO CH20 * HZ
REF DIR ORD ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
68. CHN » HO - CHO » HN
REF DIR ORO A B C f EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
5-20
69. CHN * HO CH2 * NO
REF OIR ORO ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
70. CHN + HO - CH20 + N
REF DIR ORO ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
71. CHM » HO CN + H20
REF DIR ORD ABC T EXPERIMENTAL TYP COMMENTS
Tl F 2 11.30 0.6 9. C JOHNSTON-PARR CALC
1967
72. CHN * H02 - CHO * HNO
REF DIR ORD A B C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
5-21
73. CH.S * H02 CH2 « N02
REF OIR ORD. ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
74. CHN + H02 CH20 * NO
REF DIR ORD A B C F EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
75. CHN * H2 CH2 * HN
REF DIR ORD A B C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
76. CHN » H2 » CH3 * N
REF OIR ORD ADC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
77.
CHN
HZO
REF DIR ORD
78.
CHN ! HZO
REF DIR ORD
79.
HZO
REF DIR ORO
5-22
CHZ * HNO
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
CHZO 4 HN
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
- CH3 * NO
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
TYP COMMENTS
TYP COMMENTS
SO.
CHN
HZO
REF DIR ORD
CH30 4 N
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
-------
5-23
81. CHN » N
KEF DIH ORD A B C
H28 It 2 12.*1 0.55 1.9
1966
Tl R 2 11.0 0.5
1967
* CN » HN
T EXPERIMENTAL
TYP COMMENTS
C JOHNSTON-PARR CALC
C ORDER MAGNITUDE EST
R6F OIR ORO
CHO * N2
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
83. CHN t NO
REF OIR ORO ABC
Tl R 2 1I.S8 0.5 u.
1967
CN + HNO
EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
REF DIR ORO
CHN * N02
« CHO + N20
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
-------
85.
REF DIR ORD
5-24
CHO * N
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
86. CHX + 0
REF DIR ORD A b C
M8 f 2 11.15 0.68 16.9
1967
Tl F 2 11.1,5 0.7 17.
1967
MZ8 R 2 11.57 0.5* 3.0
1966
Tl R 2 11.0 0.5 o.
1967
1000-
4000
CN * HO
EXPERIMENTAL
TYP COMMENTS
C JOHNSTON-PARR CALC
C JOHNSTON-PARR CALC
C JOHNSTON-PARR CALC
C ORDER MAGNITUDE EST
87.
CHN
REF DIR ORO
-CO » HN
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
CHN
REF OIR ORO
CHO + NO
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
-------
5-25
90. CHN +02 CO + HNO
REF OIR ORD ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
91. CHN * 02 C02 + HN
REF DIR ORD ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
5-26
92. CHO
REF OIK ORD A B C
H CO + H * H
T EXPERIMENTAL
TYP COMMENTS
865 f Z 12.30 0.5 26.6
1970
B89 F 1 13.7 0. 19.0
1970
Tl F 2 15.0 0.5 23.
1967
1700- SHOCK OXID METHANE
2500 C02iCOtH20-IR EM1SS
DENSITY GRADIENT
X SLIGHT SENSITIVITY
TO THIS REACTION
EVALUATION
NO RELIABLE DATA
EST FROM REVERSE
SELECTED
TERTIARY REFERENCE
A21 R 3 13.46
1972 ( 0.02 I
R 3 13.40
( 0.02 )
300
STATIC REACTOR
HG PHDTOSENS DISSN H
(H) BY LYMAN ALPHA
X M H2
ROOM TEMPERATURE
DISCUSS ENERGY TRANS
X M KR
R 3 13.35
I 0.05
X H - HE
R 3 13.34
I 0.05 I
X M AR
R 3 13.24
( 0.04 )
300
X M - NE
B77 R 3 14.36
1972
B89 R 2 13.8
1970
l.u
773 SECOND LIN CO/H2/02 X
STATIC REACTOR
BORIC ACID COATED
R ESTIMATE
Jl R 3 19.0 -1.0 u.
1967 ( 1.5 I
1000-
3500
C ESTIMATED BY ANALOGY
WITH H+OH*H-H20*M
AND CO*0+M-C02+M
93.
CHO * CHD
REF DIR ORO
- CH2 + C02
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
94. CHO + CHO
REF DIR ORD A B C
Tl F 2 11.15 0.5 0.
1967
- CH20 » CO
EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
-------
5-27
REF OIR ORD A
Tl F 2 10.5
1967
CHO » CH2
C
0.7
CH3 * CO
EXPERIMENTAL
TYP COMMENTS
C JOHNSTON-PARR CALC
CHO » CH20
REF DIR ORD
CHO * CH20
REF OIR ORD
« CH3 + C02
EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
> CH30 + CO
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
98. CHO + CH3
REF DIR ORD A B C
Tl F 2 11.IB U.I
1967
Tl R 2 10.5 U.3 6.
1967
CH2 * CH20
T EXPERIMENTAL
TYP COMMENTS
C JOHNSTON-PARR CALC
C ESTIMATED BY ANALOGY
-------
5-28
REF OIR ORD A
Tl F 2 11.4
1967
CHO » CH3
B C
0.
u.»
« CH4 » CO
T EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
100.
CHO + CH30
REF OIR ORO
101.
CHO * CH30
REF OIR ORO
CH20 » CH20
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
CH4 + C02
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
TYP COMMENTS
102.
CHO + CH4
REF DIR ORD
CH2 » CH30
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
-------
5-29
103. CHO » CH4
REF DIR ORD A 6 C
Tl F 2 11.93 0.6 9.
1967
71 R 2 10.0 0.5
1967
- CH20 + CH3
EXPERIMENTAL
TYP COMMENTS
C JOHNSTON-PARR CALC
R SELECTED
TERTIARY REFERENCE
104.
REF DIH ORD A
Tl R 2 11.i
19&7
0.5
> CH2 » 0
T EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
105. CH3 * H
REF DIR ORO ABC
Tl R 1 17.5 u. 87.
1967
CH20
EXPERIMENTAL
TYP COMMENTS
C ESTIMATED (REF B17)
REF DIR ORD
Jl F 2 12.a
1967 I 2.0 I
CHJ » H
H C
0. 0.
Tl F 2
1967
12.18 O.S
0.
CO » H2
EXPERIMENTAL
1000-
3SOO
TYP COMMENTS
C ESTIMATED BY ANALOGY
C ORDER MAGNITUDE EST
-------
5-30
107. CHO » HN - CH2 + NO
REF OIR ORO ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
106. CHO * HN - CH20 + N
REF OIR ORD ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
109. CHO » HN « CN * HZO
REF DIR ORD A B C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
110. CHO * HNO - CH2 + N02
REF DIR ORD A 8 C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
5-31
*EF DIR ORD
Tl F 2 11.51 0.3
1967
111. CHD » HNO
6 C
0.
CH20 + NO
T EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
REF DIR ORD
112.
CHO
HO
= CH2 + 02
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
113.
REF DIR ORD A
2 13.78
022 R
1971
F5 R
1963
14.0
CHO ( HO - CH20 * 0
C T EXPERIMENTAL
1750- INCIDENT SHOCK
2575 CO/02/AR TRACE CH4
(CO),(C02) BY IR
TYP COMMENTS
X BEST FIT TO EXPT
ASSUME RAPID DISSN
OF CHO TO CO » H
R APPROXIMATE
8 IS UPPER LIMIT
E20 R
197*
10.98
300
R PREFERRED VALUE
EVALUATION
H33 R
1969
10.95
300
FLOW REACTOR
MASS SPEC ANALYSIS
M27 R
1973
10.95
1 0.05 )
300
DISCHARGE-FLOW SYST
ESR 6 CHEMILUMINESC
N7 R
1966
P13 R
1973
10.32
( 0.10 )
13.
300
1600
DISCHARGE-FLOW SYST
MASS SPEC ANALYSIS
X ACTIVATION ENERGY
ESTIMATED TO BE
LESS THAN 5.5 KCAL/M
CHI/02 FLAME
-------
5-32
REF DIR ORD
CHO » HO
C
-CO + H20
EXPERIMENTAL
TYP COMMENTS
BIS F 2 14.0
1970
Jl F 2 12.8
1967 ( 2.0 )
1700- SHOCK OXIO METHANE
2500 C02iCO,H20-IR EMISS
DENSITY GRADIENT
1000-
3500
X SLIGHT SENSITIVITY
TO THIS REACTION
ESTIMATED BY ANALOGY
Tl f
1967
11.0* u.»
ORDER MAGNITUDE EST
115.
CHO
HO
REF DIR ORD
* C02 + H2
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
116.
CHO * H02
REF DIR ORD
CH20 + 02
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
117.
CHO
H02
REF DIR ORD
- C02 * H20
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
5-33
118. CHO * H2
REF DIR ORD
» CH2 * HO
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
119. CHO
DIH ORO AB
81 R 2 11.79 0.5
1962
H2 * CH20 + H
C T EXPERIMENTAL
i.l 600-
1000
TYP COMMENTS
R EVALUATION
2 11.68 U.S
1.665 523-
673
R EVALUATION
B2 R
1965
2 10.42
I 0.10 )
300 H2 DISCHARGE
H2 R
1967
2 13.0 0.
3.3
R SURVEY
Kl R
1956
K45 R
1970
2 12.6
2 13.50 0.
4.24
820 CH20 PYROLYSIS
300-
813
X CALCULATES UPPER
LIMIT ACTIV ENERGY
5.7 KCAL
R SUGGESTED
Ml R
1960
2 11.6 u.3 i.u
520- CH20/D2 PHOTOLYSIS
675
X RX WITH D ATOMS
REL TO 0+H2»HD+H
R6 R
1972
2 10.51
I 0.04
297
CH20 PHOTOLYSIS
(H) BY PULSED PHOTOL
Tl
1967
H40 R
1972
H40 R
1972
2 13.0 0.
2 13.130 0.
2 10.41
( 0.02 1
2.
3.76
297- FAST FLOW SYSTEM
652 H3B03-COATED QUARTZ
(H) BY ESR
297
SELECTED
TERTIARY REFERENCE
REF TO Ml
2 10.77
1.0.02 )
358
2 10.94
I 0.01 )
380
2 11.32
I 0.00 )
448
2 11.81
I 0.02 )
608
2 11.83
( 0.06 I
652
-------
5-34
120. CHO + H2 = CH3 + 0
REF DIR ORO ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
121. CHO * H2 * M CH30 * M
REF DIR ORD ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
122. CHO * H20 = CH2 * H02
REF DIR ORD ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
5-35
REF DIR ORD
123. CHD * H23
SBC
CH20 * HO
T EXPERIMENTAL
TYP COMMENTS
A14 R 2 10.8
1964
346- DISCHARGE FLOW SYST R BASED ON A15
489 H20 DISCHARGE
849 R 2 14.50 u.
196S
723- THERMAL REACTION X K IS THAT CALCULATED
923 BY SCHOFIELD (SI)
F5 R 2 14.54 o.
1963
R APPROXIMATE
F7 R 2 11.38 u.
1965
400-
700
SELECTED (REF AS)
G20 R 2 12.92
1974 I 0.1 I
300
R PREFERRED VALUE
BASED ON REF M25
H2 R 2 14.38 0.
1967
1.0
398-
698
SURVEY
K45 R 2 13.77 0.
1970
770-
1500
SUGGESTED
M30 R 2 12.96
1971
DISCHARE-FLOH SYSTEM
MASS SPEC DETECTION
REPRODUCIBLE WITHIN
TEN PERCENT
P13 R 2 13.40
1973
Tl R 2 10.7 0.7
1967
1600
CH4/02 FLAME 40 TORR
MOLEC BEAM SAMPLING
APPROXIMATE
ACTIVATION ENERGY
NEAR 1 KCAL/MOLE
JOHNSTON-PARR CALC
H2 R 2 15.7 u. 13.0
1965
W31 R 2 15.7 u.
1972 I 1.0 )
12.9
346- LOH PRESSURE FLAME X COMBINED FLAME STUDY
1612 MICROPROBE-HASS SPEC WITH LOU TEMP STUDY
ESR PRELIMINARY ESTIMATE
700-
1600
RECOMMENDED
REF DIR ORD
124.
H20
CH3 < 02
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
REF DIR ORD
125.
CHU » H20
CH30 * 0
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
126.
REF OIR ORD
5-36
CN * HO
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
127.
REF DIR 3RD A
Tl f 2 11.3
1967
CH3 * N
CO » HN
EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
CHO * NO
REF DIR ORD
» CN » H02
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
129.
REF OIR ORD
Tl F 2
1967
CHO * NO
B C
0.5 2.
CO * HNO
EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
-------
130.
CHO
NO
REF DIR ORD
131.
CHU
REF DIR ORO
REF DIR ORD
5-37
C02 + HN
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
C02 * HNO
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
CN + HNO
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
TYP COMMENTS
133. CHO » 0
REF DIR ORO ADC
Jl F 2 12.e
1967 ( 1.5
Tl F 2 11.26 0.5
1967
H*l F 2
1972
- CO » HO
EXPERIMENTAL
1000-
3SOO
298
FAST FLOW SYSTEM
10) BY ESR
(C02) BY MASS SPEC
TYP COMMENTS
C ESTIMATED BY ANALOGY
C ORDER MAGNITUDE EST
X K(CHO»0-C02»HI/
K(CHO»0-CO+HOI
0.73 (0.15)
-------
5-38
13*. CHO * 0 » C02 * H
REF DIR ORD ABC T EXPERIMENTAL TrP COMMENTS
W*l f 2 298 FAST FLOW SYSTEM X K(CHO»0-C02»H)/
1972 (0) BY ESR K(CHO+0-CO*HO)
(C02) BY MASS SPEC 0.73 10.15)
135. CHO * 02 CO + H02
REF DIR ORO ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
136. CHO 4-02 - C02 * HO
REF DIR ORD A B C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
137. CH2 » CH20 CH4 * CO
REF DIR ORD ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
REh OIR ORD
5-39
138. CH2 » CH30 - CH20 t CH3
4 f C T EXPERIMENTAL
TYf> COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
139. CH2 t CH4
REF DIR ORD ABC
Tl F 2 12.083 U.I 20.
1967
CH3 » CH3
EXPERIMENTAL
TYP COMMENTS
ESTIMATED BY ANALOGY
+JOHNSTON-PARR CALC
CH2
C02
REF OIR ORD
- CH20 + CO
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
141.
CHZ H
REI- DIR ORD
« CH3
EXPERIMENTAL
NO DATA ON THIS Rx
IN DATA BANK
AT THIS TIME
TYP COMMENTS
-------
5-40
142. CH2 + HN - CH3 + N
REF DIR QRD A B C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
143. CH2 » HNO - CH20 » HN
REF DIR ORD ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
144. CH2 + HNO - CH3 t NO
REF DIR ORD ABC T EXPERIMENTAL TYP COMMENTS
Tl F 2 11.83 0.5 0. C ORDER MAGNITUDE EST
1967
145. CH2 * HNO CH30 + N
REF DIR ORD ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
5-41
146. CH2 * HO - CH20 * H
OEF OIR ORO A b C T EXPERIMENTAL TVP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
147. CH2 * HO > CH3 » 0
REF OIR ORO ABC T EXPERIMENTAL TYP COMMENTS
Tl f Z II.I 0.5 6. C ORDER MAGNITUDE EST
1967
Tl R 2 11.0 u.3 17. C ORDER MAGNITUDE EST
1967
148. CH2 » HO + H - CH30 + M
REF OIR ORO ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
149. CH2 « H02 CH20 + HO
REF DIR ORD A b L T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
, AT THIS TIME
-------
ISO.
CH2 t H02
REF OIR ORO
151.
CH2 * H02
REF DIR ORO
5-42
- CH3 * 02
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
CH30 * 0
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
TYP COMMENTS
152. CH2 * H2
REF DIR ORO A B C
TJ f 2 10.0 0.5 10.
1967
Tl R 2 11.26 0.7 3.
1967
« CH3 « H
EXPERIMENTAL
TYP COMMENTS
C ESTIMATED BY ANALOGY
C JOHNSTON-PARR CALC
153.
CH2 » H2 * M
REF OIR ORD
CH* » M
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
-------
CH2 * H20
REF OIR ORD
5-43
CH20 + H2
EXPERIMENTAL
HO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
155. CH2 * H20
KEF OIR ORO ABC
Tl f 2 10.0 0.5 10.
1967
Tl It 2 10.B 0.7 2.
1967
CHS * HO
T EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
C JOHNSTON-PARR CALC
156.
CH2
H20
REF DIR ORD
» CH30 » H
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
157.
CH2
H20
REF DIR ORD
CH* * 0
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
-------
158.
REF OIR ORO
CH2
b C
N
159.
CHZ
NO
REF DIR ORD
160.
CH2 * NO
REF DIR ORD
5-44
« CN * HZ
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIH6
TYP COMMENTS
- CH20 « N
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
- CN + H20
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
TYP COMMENTS
161.
CH2 » N02
REF DIR ORO
- CH20 » NO
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
-------
CH2 * N20
REF OIR ORD
CH2 t 0
REF DIR ORD
164.
CH2
REF DIR ORD
5-45
* CH20 » N2
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
- CH20
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
-CO » H2
EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
REF DIR ORD
Tl f 2
1967
CH2 » 02
C
11.7
CH20 « 0
EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
-------
REF OIR ORO
CH2 t 02
C
167.
CH2
02
REF DIR ORO
168.
CH20
REF DIR ORO
5-46
> CO * H20
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
- C02 * H2
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
«T THIS TIME
TYP COMMENTS
CO * H2 » M
EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
169.
CH20 * CH20
REF DIR ORD
CH4 » C02
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
-------
5-47
RCF DIR URD
170. CH20 4 CH4
» B C
» CH3 « CH30
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
REF DIR ORO
022 R 2 13.78 0.
1971
171. CH20 4 H
B C
0.
F5 R 2 14.0
1963
- CH3 + 0
EXPERIMENTAL
1750- INCIDENT SHOCK
2575 CO/02/AR TRACE CH4
(CO),(C02) BY IR
CH4/02 FLAME
TYP COMMENTS
X BEST FIT TO EXPT
R APPROXIMATE
F8 R 2 13.28 u.
1961 I 0.06 I
H2 R 2 12.28 u.
1967
1200-
1900
CH4/02 FLAME
VALUE APPROXIMATE
BASED ON CALCO CH3
PROO. MAY BE CH24HO
SURVEY
H25 R 2 13.1
1973
Nl R 2 13.26
1968
DISCHARGE-FLOW SYST
MASS SPEC ANALYSIS
DISCHARGE-FLOW SYST
MASS SPEC ANALYSIS
X UNCERTAINTIES-MIXING
VERIFIES LONER LIMIT
FROM REF Nl
X LOWER LIMIT
ALSO IN REF N4
P13 R 2 14.11 0.
1973
S38 R 2 14.05
1974 I 0.06 )
1100- CH4/02 FLAME 40 TORR
1800 MOLEC BEAM SAMPLING
FAST FLOW REACTOR X
PHOTOIONIZ MASS SPEC
FOLLOWED CH3
RELATIVE TO RATES OF
CH44HO AND CH440
0.7 - 2.2 TORR
Tl R 2 13.28 0.
1967
SELECTED (REF F8I
REF DIR ORD
172.
CH20
CH30
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
5-48
173. CH20 + HN - CHS + NO
REF DIR ORO ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
174. CHZO * HN * CH30 + N
REF DIR ORD A B C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
175. CHZO * HNO - CH3 + N02
REF DIR ORD ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
176. CHZO * HNO CH30 * NO
REF DIR ORD A B C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIHE
-------
5-49
177.
REF DIR ORD A
B*5 It 2 8.72
1964
CH2U * HO
B C
CHS * 02
EXPERIMENTAL
771 THERMAL REACTION
CH3COCH3/02
TYP COMMENTS
X RATE IS THAT QUOTED
IN REF T3
B6 CH30 » 02
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
REF OIR ORD
180.
CH20 * H2
CH3 * HO
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
5-50
181. CH20 * H2 CH30 * H
REF OIR ORD A b C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
182. CH20 » H2 CH<, + 0
REF OIR ORD ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
183. CH20 * H20 CH3 » H02
REF DIR ORD A b C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
184. CH20 « H20 - CH30 * HO
REF OIR ORD ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
5-51
185. CH20 » H20 = CH4 » 02
REF DIR ORD A B C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
186. CM20 + N CN * H20
REF OIR ORD ABC T EXPERIMENTAL TrP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
187. CH20 * 0 - CO » H20
REF OIR ORD ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
188. CH20 » 0 C02 » H2
REF DIR ORO A B C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
5-52
REF OIK ORO
CHJO » 02
C02 t HZO
EXPERIMENTAL
TYP COMMENTS
NO DAT! ON THIS RX
IN DATA BANK
AT THIS TIME
REF DIR ORD
CH3 » C02
C
- CH30 » CO
T EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
191. CH3 « H » M
REF DIR ORD ABC T
EXPERIMENTAL
TYP COMMENTS
DIB F 2 13.01 293
1969 I 0.11 )
S2 f 3 22.079 -1.0 0.
1965
F 3 22.3BO -l.u u.
S33 f 3 15.903 0. -14.10 1300-
1972 2500
Tl F 2 ll.i 0.5 0.
1967
MASS SPEC ZONING OF
DIFFUSION CLOUD
CH3 FROM H»C2Ht*C3H6
IGNITION DELAY STUDY
SINGLE PULSE SHOCK
CHW02/H2/AR MIXES
DILUTE IN HELIUM
SELECTED
THIRD BODY
M - AR
SELECTED
THIRD BODY
H H2
23 RX MECHANISM
LIT RATES VARIED
MITHIN ERROR LIMITS
ORDER MAGNITUDE EST
965 R 2 IB.00 U. 88.* 1700-
1970 2500
D22 R 2 IB.21 0. 103. 1750-
1971 2575
H32 R 2 17.3 v. 8B. 1850-
1971 I 2. ) 2500
R 1 15.1 u. 10*. 1850-
{ 2. ) 2500
SHOCK OXID METHANE
C02.CO,H20-!R EMISS
DENSITY GRADIENT
INCIDENT SHOCK
CO/02/AR TRACE CH4
ICO)t(C02) BY IR
REFLECTED SHOCK
CH1/AR MIX
.IR EMISS, UV ABSORPT
SECOND ORDER DECOMP
M - ANY
H ANY
BEST FIT TO EXPT
LOW PRESSURE LIMIT
H - AR
HIGH PRESSURE LIMIT
S2 R 2 27.745 -2.0 105.3
1965
R 2 28.0*1 -2.0 105.3
S27 R 1 14.71 0. 101.0 1200-
1959 1800
SHOCK TUBE STUDY
CHt/AR MIX
SELECTED
THIRD BODY
M - AR
SELECTED
THIRD BODY
H H2
HIGH PRESSURE LIMIT
S33 R 2 17.903 0.
1972
8.00 1300-
2500
IGNITION DELAY STUDY
SINGLE PULSE SHOCK
CHW02/H2/AR MIXES
23 RX MECHANISM
LIT RATES VARIED
WITHIM ERR3R LIMITS
-------
5-53
192. CHS » HN » CH4 + N
REF DIR ORO A B C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
193. CH3 * HNO - CH30 + HN
REF DIR ORO ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
194. CH3 » HNO - CH* + NO
REF DIR ORD ABC T EXPERIMENTAL TYP COMMENTS
Tl F 2 11.70 0.5 u. C ORDER MAGNITUDE EST
1967
195. CH3 » HO CH30 + H
REF OIR ORD A 8 C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
5-54
REF D1R ORO
H9 F 2
1968
S33 F 2
1972
41 R 2
1964
C22 R 2
1965
022 R 2
1971
H25 R 2
1969
R 2
R 2
K45 R 2
1970
H9 R 2
1968
SI R 2
1967
S25 R 2
1969
S33 R 2
1972
Tl R 2
1967
W8 R 2
1967
R 2
196. CH3 * HO
ABC
12.0
11.556 u. 4.870
13.75 0. 8.7
1 0.15 I ( 0.8 I
12.86 0. 7.3
( 1.5 )
14.19 0. 7.95
13.32 0. 9.04
1 0.18 I
11.34
( 0.18 1
7.0
( 0.3 )
13.70 0. 8.99
1 0.16 ) ( 0.38 )
7.3
13.50 u. 7.95
13.23 u. 8.7
1 0.03 1 ( 0.7 )
13.322 0. 4.550
11.6 0.5 8.
13.23 0. 8.7
( 0.05 1
7.38
I 0.02 1
T
1000
1300-
2500
843-
933
295-
533
1750-
2575
350-
2000
1000
298
295-
1800
300
295-
1000
299-
895
1300-
2500
400-
895
299
CH4 * 0
EXPERIMENTAL TYP
C
IGNITION DELAY STUDY X
SINGLE PULSE SHOCK
CH4/02/H2/AR MIXES
FIRST IGN. LIMIT C X
H4/02/H2 MIXTURES
DISCHARGE FLOW SYST X
GAS CHROM, MASS SPEC
INCIDENT SHOCK X
CO/02/AR TRACE CH4
(COI.IC02) BY IR
R
R
R
R
C
R
R
IGNITION DELAY STUDY X
SINGLE PULSE SHOCK
CH4/02/H2/AR MIXES
R
DISCHARGE FLOW SYST X
0 FROM N * NO
ESR ATOM DETECTION
X
COMMENTS
JOHNSTON-PARR CALC
23 RX MECHANISM
LIT RATES VARIED
WITHIN ERROR LIMITS
NITROGEN CARRIER.
HIGHER RATE FOUND
WITH OXYGEN CARRIER
BEST FIT TO EXPT
CRITICAL EVALUATION
SUGGESTED
JOHNSTON-PARR CALC
RECOMMENDED VALUE
LEAST SQUARES FIT
RECOMMENDED (REF U8)
23 RX MECHANISM
LIT RATES VARIED
WITHIN ERROR LIMITS
SELECTED
REF PRIV COMM
SUPERSEDED BY W2S
8.11
349
2 8.56
I 0.03 I
405
2 9.15
( 0.03
465
2 9.96
I 0.04 )
573
2 10.45
( 0.04 I
700
2 11.23
( 0.02 I
895
M15 R
1963
13.3
I 0.2 I
6.9
I 1.5
350- DISCH. STIRRED REACT X
600 MASS SPECTROMETER
M25 R
1969
7.100
I 0.007)
297 DISCHARGE-FLOW SYST X SUPESEOES REF WB
ESR DETECTION
7.96
0.01 I
2 8.53
I 0.01 )
419
2 9.40
( 0.02 )
516
-------
5-55
196. CH3 + HO
REF DIR ORD ABC
R 2 10.037
( 0.01 )
R 2
( 0.016)
W25 R 2 13.30 0. 9.2
1969
W27 R 2 14.0 0. 10.0
1967
" CH4 + 0
T EXPERIMENTAL
605
904
400- DISCHARGE-FLOW SYST
900 ESR DETECTION
375- STIRRED REACTOR
576 MASS SPEC ANAL
TYP COMMENTS
X SUPERSEDES REF W8
X RATE OF CH4 DISAPP
DUE TO 0 ATOM
-------
5-56
197.
CH3
H02
= CH30 + HO
REF DIR ORD
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
196.
CH3
H02
CH4 + 02
REF OIR ORD
EXPERIMENTAL
TYP COMMENTS
S33 F 2 12.000 0. 0.400
1972
Tl F 2 11.0 0.5 6.
1967
1300- IGNITION DELAY STUDY
2500 SINGLE PULSE SHOCK
CH4/02/H2/AR MIXES
X 23 RX MECHANISM
LIT RATES VARIED
WITHIN ERROR LIMITS
C ORDER MAGNITUDE EST
S33 R 2 13.903 0.
1972
56.00 1300- IGNITION DELAY STUDY
2500 SINGLE PULSE SHOCK
CH4/02/H2/AR MIXES
23 RX MECHANISM
LIT RATES VARIED
WITHIN ERROR LIMITS
-------
5-57
BIO F
1959
199. CH3 » H2
ORD AbC
2 11.9 0. 10.0
750-
820
CH4 * H
EXPERIMENTAL
PYROLYSIS CH30CH3
TYP COMMENTS
PI F
1955
2 11.5 u. 10.0
SELECTED
S2 F 2 12.500 u. 10.20 975-
1965 1300
S33 F 2 12.097 u. 14.20 1300-
1972 2500
Tl F 2 10.0 0.5 10.
1967
H2/02 IGNITION
IGNITION DELAY STUDY
SINGLE PULSE SHOCK
CH4/02/H2/AR MIXES
X ADJUSTED LIT RATES
FOR BEST FIT TO
INDUCTION TIMES
X 23 RX MECHANISM
LIT RATES VARIED
WITHIN ERROR LIMITS
R SELECTED
TERTIARY REFERENCE
W30 F
1968
2 12.52 0. 12.2 300-
I 0.06 I ( 0.8 ) 700
CRITICAL EVALUATION
Al R
1964
2 10.47
883
FIRST IGN. LIMIT
H4/02/H2 MIXTURES
B3 R
1954
2 10.01 u. 4.5 372-
I 0.15 ) I 1.2 ) 436
H2/TUNGSTEN FILAMENT
BIO R
1959
2 12.0
8.0 750-
820
R EST FROM REVERSE
864 R
1970
2 10.76
773
STATIC REACTOR
CH4/H2/02/N2 MIX
X BASED ON
K(H*02-OH»OI
B64 R
1970
2 14.100 U. ll.y 298-
2000
R COMBINED OWN RESULTS
WITH THOSE OF OTHERS
D10 R
1966
2 10.6
( 0.2 I
ATM PRESSURE FLAME
MICROPROBE-MASS SPEC
010 R
1966
2 13.8 0. 12.6 372-
I 0.3 ) I 1.0 ) 1790
R BASED ON XPTL DATA
Fl R
1961
2 14.i 0. 11.5 1225-
I 1.5 I 1800
CH4/02 FLAME
MICROPROBE-MASS SPEC
F5 R
1963
2 14.40 0.
R SUGGESTED
F7 R
1965
14.70
13.5 373-
2000
R EVALUATION
H2 R
1967
14.18
14.
R SURVEY
II R
1964
2 14.19 u. 11.05
R SELECTED
J2 R
1964
K34 R
1970
2 11.8
2 8.230
I 0.057)
g. 7.4 485-
( 1.1 I 803
424
H2 DISCHARGE-FLOW
GAS CHROHATOGRAPH
DISCHARGE-FLOW SYST
ESR ATOM DETECTION
X ANALYZED FOR
LAHINAR+TURB FLOW
USED AVERAGE
2 8.134
I 0.094)
2 8.932
( 0.007)
492
2 8.772
I 0.017)
2 9.560
( 0.029)
588
2 10.049
I 0.023)
680
2 10.356
I 0.038)
732
K34 R
1970
2 13.796 u. 11.6 424-
( 0.121) I 0.15 I 732
DISCHARGE-FLOW SYST X
ESR ATOM DETECTION
-------
5-58
REF DIR ORD
K42 R 2
1969
R 2
R 2
R 2
R 2
R 2
R 2
R 2
K42 R 2
1969
K45 R 2
1970
LI R 2
1953
PI R 2
1955
P13 R 2
1973
SI R 2
1967
S2 R 2
1965
S33 R 2
1972
Tl R 2
1967
W30 R 2
1968
ABC
7.785
( 0.109)
8.688
I 0.0361
9.393
( 0.016)
9.881
10.107
I 0.030)
10.061
1 0.029)
10.398
1 0.014)
10.398
I 0.017)
13.84 0. 11.8
( 0.04 ) ( 0.2 )
13.71 u. 12.90
( 0.35 I 1 1.14 )
10.5 u. 6.6
12.5 U. 9.0
12.51
( 0.07 )
13.61 0. 11.61
13.900 u. 8.000
13.498 u. 11.90
11.64 0.7 1.
14.100 u. 11.9
( 0.079) I 0.4 I
T
426
505
589
647
682
689
747
752
426-
747
500-
2000
372-
436
403-
693
1600
400-
2000
975-
1130
1300-
2500
350-
1800
" CH4 » H
EXPERIMENTAL
426 DISCHARGE-FLOM SYST
ESR ATOM DETECTION
TYP COMMENTS
DISCHARGE-FLOW SYST
ESR ATOM DETECTION
H2/TUNGSTEN FILAMENT
CH4/02 FLAME 40 TORR
HOLEC BEAM SAMPLING
H2/02 IGNITION
IGNITION DELAY STUDY
SINGLE PULSE SHOCK
CH4/02/H2/AR MIXES
SUGGESTED
FROM REVERSE
FOLLOWED CH4 DISAPP
IN STOICHIOHET FLAME
RECOMMENDED VALUE
LEAST SQUARES FIT
CORRECTED VALUE
ADJUSTED LIT RATES
FOR BEST FIT TO
INDUCTION TIMES
23 RX MECHANISM
LIT RATES VARIED
WITHIN ERROR LIMITS
JOHNSTON-PARR CALC
CRITICAL EVALUATION
REF DIR ORD
CH3
H20
- CH30 * H2
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
5-59
REF DIR
11 F
1964
K45 F
1970
S33 F
1972
141 F
1968
Alt R
1964
B64 R
1970
B64 R
1970
010 R
1966
010 R
1966
025 R
1970
Fl R
1961
F5 R
1963
F7 R
1965
67 R
1967
C16 R
196S
GIB R
1970
G20 R
1974
H2 R
1967
11 R
1964
K45 R
1970
P13 R
1973
SI R
1967
SIS R
1969
S33 R
1972
Tl R
1967
.11 R
1968
H14 R
1961
201.
ORO A
2 13.57
2 13.10
2 12.568
2 12.68
2 14.38
2 11.93
2 13.32
( 0.15 I
2 12.5
I 0.2 )
2 13.4
1 0.2 I
2 13.41
2 14.54
2 14.15
2 14.70
2 9.72
( 0.02 )
2 9.72
( 0.02 I
2 12.52
( 0.06 I
2 12.250
1 0.04 I
2 14.70
2 14.36
2 13.90
I 0.14 1
2 13.5
2 13.86
2 9.164
2 13.322
2 14.54
2 13.45
1 0.7 I
2 13.3
OH3 + H23
a c
u. 24.7
u. 22.56
u. 22.00
U. 22.1
I 0.6 )
0. 8.3
0. 4.86
( 0.25 )
u. 5.1
I 0.4 I
u. 5.0
U. 9.0
I 1.5 )
U. 6.5
U. 9.9
0. 3.772
1 0.102)
0. 3.52
0. 9.9
0. 7.9
u. 5.78
I 0.38 )
0. ».
0. 5.91
0. 4.860
0. t.
0. 5.0
T
1000-
2000
1300-
2500
300-
2000
773
298-
2000
1285
300-
1790
300-
3000
1225-
1800
1203-
1803
400-
1800
301
300
300-
500
240-
370
300-
1800
1100-
1900
300-
1850
300
1300-
2500
300-
2000
1650*
1840
- CH4 * HO
EXPERIMENTAL
IGNITION DELAY STUDY
SINGLE PULSE SHOCK
CH4/02/H2/AR HIXES
H20 DISCHARGE
STATIC REACTOR
CH4/H2/02/N2 MIX
ATM PRESSURE FLAHE
MICROPROBE-HASS SPEC
CH4/02 FLAME
MICROPROBE-MASS SPEC
CH4/02 FLAME
MICROPROBE-HASS SPEC
FLASH PHOTOLYSIS
H20/CH4 MIX
FLASH PHOTOLYSIS
KINETIC SPECTROSCOPY
FLASH PHOTOLYSIS
KINETIC SPECTROSCOPY
CH4/02 FLAME 40 TOR*
MOLEC BEAM SAMPLING
DISCHARGE-FLOW SYST
MASS SPEC ANALYSIS
IGNITION DELAY STUDY
SINGLE PULSE SHOCK
CH4/02/H2/AR MIXES
CH4/02 FLAME
MICROPROBE-HASS SPEC
TYP
R
R
X
R
R
X
R
X
R
R
X
X
R
X
X
X
R
R
R
R
X
R
X
X
R
R
X
COMHENTS
SELECTED
SUGGESTED
23 RX MECHANISM
LIT RATES VARIED
WITHIN ERROR LIMITS
FROM REVERSE
BASED ON EXPT
BASED ON
KIH2*OH-H20*H)H)
COMBINED OWN RESULTS
WITH THOSE OF OTHERS
BASED ON XPTL DATA
EVALUATION
EVALUATION
PREFERRED VALUE
EVALUATION
SURVEY
SELECTED
SUGGESTED
FOLLOWED CH4 OISAPP
ALLOWED FOR CH4«0
RECOMMENDED VALUES
LEAST SQUARE FIT
23 RX MECHANISM
LIT RATES VARIED
WITHIN ERR3R LIMITS
SELECTED (REF F8I
EVALUATION
-------
5-60
CH4 * HO
REF
H20
1967
W20
1967
W31
1972
OIR
R
ft
R
ORO
2
2
2
A B
9.81
( 0.09 )
13.46 0.
( 0.09 )
13.455 0.
( 0.7 )
C T
300
5.0 300-
2000
5.0 300-
2000
EXPERIMENTAL
DISCHARGE FLOW SYST
ESR FOR (OH)
TYP COMMENTS
FITTED OWN LOW TEMP
RESULT W/ HIGH TEMP
RESULTS OF OTHERS
EVALUATION
BASED ON CO+OH-C02+H
-------
REF OIR ORD
202. CH3 * NO
A b C
CH3
REF DIR ORO
5-61
CH30 « N
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
> CH30 * NO
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
REF 01R OHO
F30 f 2
1973
204.
7.15
0.08 )
CH3
873
- CH30 * N2
EXPERIMENTAL
STATIC REACTOR
CH4/N20 MIX
GC ANALYSIS
TYP COMMENTS
X BASED ON
ASSUMED MECHANISM
205.
REF DIR ORD
> CH30 » M
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
-------
206.
REF OIR ORD
CH3 « 02
C
207.
CH30 * H
REF OIR ORO
208.
CH30 * HN
REF OIR ORD
5-62
CH30 * 0
EXPERIMENTAL
NO DATA ON THIS RX
(N DATA BANK
AT THIS TIME
TYP COMMENTS
CH* » 0
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYf> COMMENTS
CH* » NO
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
209.
CH30 * HNU
R6F DIR ORD
CH* » N02
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
-------
5-63
210. CHJU » HO CH« » 02
REF DIR ORO A B C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
211. CH30 * HZ - CH* » HO
REF OIR ORO ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
212. C.H30 » H2O » CH4 H02
REF OIR ORD ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
213. CN » HO * CO * HN
REF DIR ORD A 4 C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
214.
HOZ
REF DIR ORO
215.
HOZ
REF OIR ORD
5-64
CO * HNO
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
C02 * HN
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
TYP COMMENTS
216. CN + NO
REF DIR ORD ABC
B7B F 2 11.5
1968
H2 F 2 13.08
1967
N19 R 2 3.0 2.0 182.8
1966 I 2.0 )
CO * N2
T EXPERIMENTAL TYP COMMENTS
687 CAPACITY FLOW REACT. X
498
SURVEY
E APPROX ZERO
TRANS. STATE THEORY
ACT ENERGY RELATED
TO HEAT RX+DISSN EN
217.
CN
N02
REF DIR ORD
-CO * N20
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIKE
TYP COMMENTS
-------
5-65
216.
CN + NQ2
C02 + N2
REF DIR ORO
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
219.
CN +0
- CO + N
REF DIR ORO
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
220. CN + 02
< CO + NO
REF DIR ORD
EXPERIMENTAL
TYP COMMENTS
B86 F 2 11.84
1965
298
FLASH PHOTOLYSIS X ROOM TEMPERATURE
(CN) PHOTOMETRICALLY RATE UPPER LIMIT
H2 F 2 11.84
1967
498
R SURVEY
UPPER LIMIT
-------
REF OIR ORD
221. CN « 02
ABC
5-66
C02 + N
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TVP COMMENTS
222. CO + HNO
REF DIR ORD ABC
Tl F 2 11.0 0.5 7.
1967
« C02 + HN
EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
-------
5-67
223.
REF OIR ODD 1
CO * MO
c
C02 » M
T exPEIUMENTAL
TYP COMMEMTS
All f
1947
2 10.62 0.5 5.0
34»- FLOW DISCHARGE
520 OH BV SPECTROSCOPY
A14
1964
2 13.08 0. 7.0 378- FLOH DISCHARGE
489 OH BY SPECTROSCOPY
R BASED ON A9
84 F 2 11.*9
1968
0.60
R SELECTED (REF 051
B5 F 2 11.75 u.
1.08
I 0.06 I ( 0.50 )
R EVALUATION
B16 e 2 11.57 o.
1968
0.7 1400-
3000
871 F 2 12.00 0. J.7 1300- SHOCK TUBE STUDY
1970 t 0.28 I ( 1.9 I 1900 H2/CO/CQ2/02/AR MIX
10) BY C0»0 EMISSION
B80 F 2 12.00
1971 I 0.28 1
F 2 11.364
3.7 1300- SHOCK TUBE STUDY
( 1.9 I 1900 H2/CO/C02/02/AR MIX
CO FLAME BAND EMISS
1297
F 2 11.316
1342
F 2 11.539
1369
F 2 11.356
1372
F 2 11.326
144S
F 2 11.549
1521
F 2 11.430
f 2 11.742
1626
F 2 11.568
1777
F 2 11.613
2 11.572
1896
F 2 11.362
1899
B80 F
1971
11.62 0.
( 0.29 i
1.0
t 0.2 I
300-
1900
K COMBINED 0»N RESULTS
WITH THOSE Of (G101
BB3 F
1969
898 F
1974
Cl F
1967
2 11.571 O.
0.7
1.18 1.3 -0.765
1400- SHOCK TUBE STUDY
3000 H2/02/N2/CO/AR MIX
OPT. INTeRFEROHSTRY
298-
2000
11.49
I 0.70 t
0.60
X BEST FIT TO EXPT
R CRITICAL EVALUATION
ALT 6XP 298-2SOOK
LOG K-10.83».000394T
R SELECTED
05 F
1966
05 F
1966
11.061
I 0.0181
2 11.49 u.
0.6
300 DISCHARGE FLOM SYST
OH FROM H N02
(OH) BY ESR
300-
1950
R COMBINED OMN RESULTS
KITH HIGH T RESULTS
Dll F
1965
11.5
1 0.3 I
O.S 3SO- H2-02-C02 FLAME
( 0.6 I 1950
020 F
1970
2 12.06 O. 1.03 1700- INCIDENT SHOCK
»«««= CO/02/AR TRACE H2
IC01.IC02I BY IR
-------
5-68
4EF DM ORO
223. CO
A b
+ MO
C
C02 * H
EXPERIMENTAL
TYP COMMENTS
023 F 2
1971
D25 F 2
1970
11.75 0.
1.08
300-
3000
300-
3000
R REC K«CO(TIEXP(E/RT)
USE E ' 0
LOG KI300) 10.93
R EVALUATION
029 F 2
1973
11.38
I 0.02 )
1050
H2/U2/N2 FLAMES
CO ADDED
BASED ON CO/N2
F7 F 2
1965
12.85 u.
7.7
380-
1950
EVALUATION
F22 F 2
1963
12./ 0.
1200- C2H2-02 FLAME
1350
X RELATIVE TO HZ * OH
BASED ON F19
07 F 2
1967
10.95
I 0.04 )
301
FLASH PHOTOLYSIS
H20/CO MIX
CIO F 2
1969
10.911
( 0.022)
300
FLASH PHOTOLYSIS
KINETIC SPECTROSCOPY
F 2
10.946
( 0.026)
300
10.946
I 0.019)
F 2
10.924
I 0.019)
305
F 2
10.991
( 0.023)
334
F 2
10.946
I 0.013)
373
F 2
10.926
( 0.012)
421
F 2
10.999
I 0.009)
495
10.996
I O.OOS)
11.000
I 0.0221
10.994
I 0.021)
G10 F 2
1969
11.10 U.
I 0.07 I
0.23 300- FLASH PHOTOLYSIS
0.14 ) 500 KINETIC SPECTROSCOPY
GZO F 2
1974
10.93 0.
(0.1 I
200-
400
R PREFERRED VALUE
EVALUATION
G22 F 2
1973
12.60 0.
I 0.10 )
1200- SHOCK-INIT COMBUST.
2500 H2/02/CO/C02/AR MIX
X DISCUSS POSSIBLE
NONLINEAR ARRHENIUS
H2 F 2
1967
12.85 0.
R SURVEY
H7 F 2
1966
H7 F Z
1966
Hll F 2
1967
10.71
I 0.14 I
11.96 0.
1.7
DISCHARGE FLOW SYST
OH FROM H * N02
MASS SPEC
300-
1950
2200 METHANE-HCL04 FLAME
R FITTED OMN LOW TEMP
RESULT AND HIGH TEMP
RESULTS OF OTHERS
X ESTIMATE
H12 f 2
1965
11.226
I 0.12 )
1400 NELL-STIRRED REACTOR X
II F Z
1964
12.46 0.
5.7
R SELECTED
Jl f 2
1967
11.5 0.
I 0.7 I
0.6 1000-
5000
R EVALUATION
-------
5-69
REF DIR
J5 f
1965
KB F
1964
K5 F
1959
K35 F
1969
K38 F
1968
K41 F
1969
K45 F
1970
Mil F
1965
P6 F
1966
P13 F
1973
SI F
1967
S26 F
1971
S32 F
1972
S33 F
1972
Tl F
1967
Ml F
1968
W2 f
1965
Wll F
1967
W14 F
1961
W31 F
1972
W32 F
1973
F
F
F
F
B4 R
1968
B5 R
223. CO
ORD A B
2 12.0 U.
2 12.51 0.
2 12.46 0.
2 11.777 0.
2 11.51 u.
I
2 11.73 u.
2 11.59 u.
( 0.07 ) (
2 12.51 a.
2 11.28
2 12.13 0.
I 0.07 I
2 11.82 u.
2 12.14 u.
2 10.91
( 0.06 )
2 11.748 U.
2 11.3 u.
2 11.48 u.
1 0.7 )
2 12.85 0.
2 10.95
( 0.1 )
2 12.0
2 11.49 0.
( 0.3 1
2 10.90
2 10.92
2 10.94
2 11.01
2 11.12
2 16.299 -0.77
2 13.75 0.
« HO
C
4.u
6.3
5.7
1.22
0.6
0.3 )
l.u
0.81
0.13 1
o.i
5.5
1.03
1.08
1.08
0.6
0.6
7.7
0.6
25.112
23.5
T
1380-
1720
1023-
1523
300-
1720
1500-
3300
1600
1600-
1900
300-
2000
1470-
1785
298
1300-
2500
300-
2000
400-
2000
300
1950
300-
2000
298
396
523
707
915
C02 * H
EXPERIMENTAL
HYDROCARBON FLAME
FLOW REACTOR
(CO), (H20) GRAVIMET
CO OXIDATION
SHOCKED CO-02-AR MIX
HYDROCARBON FLAMES
C2H2-02-N2 MIX
CH4/02 FLAME 40 TORR
MOLEC BEAM SAMPLING
FLAT FLAME STUDY
MASS SPEC ANALYSIS
UV FOR (OH) AND TEMP
PULSED VACUUM PHOTOL
OF H20 FOR OH
IOHI BY RES FLUORESC
IGNITION DELAY STUDY
SINGLE PULSE SHOCK
CH4/02/H2/AR MIXES
FLOH SYSTEM
OH FROM HtN02
MASS SPEC
CH4-02 FLAME
FAST FLOH REACTOR
ESR DETECTOR
OH BY N02 * H
TYP COMMENTS
X ASSUME ENTHALPY(OH)
10. KCAL/MOLE
R EVALUATION
R REVIEW OF RADICAL
REACTIONS IN FLAMES
X
R RECOMMENDED (REF 05)
R SUGGESTED
LARGE SPREAD IN DATA
R SUGGESTED
X SELECTED (REF K3)
X
X BASED ON MEASURED K
AND EFFECTIVE ACTIV.
ENERGY OF REF 023
R RECOMMENDED VALUE
LEAST SQUARES FIT
X COMPARE REC OF IBS)
RESULT HIGHER BY
FACTOR OF 2.47
X
X 23 RX MECHANISM
LIT RATES VARIED
WITHIN ERROR LIMITS
R SELECTED
R EVALUATION
R CRITICAL SURVEY
X OH » N02 CONSIDERED
A FROM 10.95-11.06
X
R EVALUATION
X DATA EXHIBITS
CURVATURE ON
ARRHENIUS PLOT
X
X
X
X
R FROM DATA OF 05
80.766
R FROM REVERSE
-------
5-70
REF DIR ORD
223. CO + HO
4 B C
* C02 + H
T EXPERIMENTAL
B83 R 2 16.545 -0.80 25.142 1400- SHOCK TUBE STUDY
1969 3000 H2/02/N2/CO/AR MIX
OPT. INTERFEROHETRY
02 R 2 8.92
1965
1072 H2/N2/02 FLAME
TYP COMMENTS
X FROM REVERSE
X CALCD FROM MH+H20)
Oil R 2 8.92
1965 I 0.05 )
1072 H2/N2/02 FLAME
X CALCD FROM MH+D20)
F5 R 2 15.11 0. 33.
1963
R FROM REVERSE RXN
F21 R 2 15.5 0. 33.3 1217- H2/02/C02 FLAME X
1958 1345 (H) BY HO FROM H+D20
H2 R 2
1967
15.5 0. 33.
1273-
2273
R SURVEY
II R 2 14.89 0.
1964
29.7
R SELECTED
J9 R
1970
2 14.04 0.
( 0.10 )
24.9 2000- REFLECTED SHOCK
I 1.3 ) 2700 (C02) BY IR
J9 R
1970
2 19.04 -1.33 31.3 1400-
( 0.10 ) 2700
R COMBINED OWN RESULT
WITH LOW TEMP RESULT
K3 R 2 17.43 -0.79 30.7
1964
R EVALUATION
K35 R 2 14.009 0.
1969
24.20 1023- FLOW REACTOR X
1523 (CO), (H20) GRAVIMET
SI R 2 14.48 0.
1967
25.709 300-
900
R FROM REVERSE
R 2 14.01 0.
23.815 900-
2000
R FROM REVERSE
S33 R 2 13.748 0.
1972
23.50 1300- IGNITION DELAY STUDY X 23 RX MECHANISM
2500 SINGLE PULSE SHOCK LIT RATES VARIED
CH4/02/H2/AR MIXES WITHIN ERROR LIMITS
-------
5-71
REF DIR ORD
G20 F 2
1974
Jl
1967
Lll
1971
L16
1974
V7 F 2
1972
224. CO + H02
ABC
4.8
12.8
( 2.0 )
12.0
( 1.7 )
11.0
( 0.3 I
8.7S
0.
0.
0.
10.
16.5
10.0
- C02 + HO
T EXPERIMENTAL
300
1000-
3500
300-
1000
300-
1000
298 PHOTOOECOHP H202
H202/CO/02 MIX
TYP COMMENTS
R UPPER LIMIT
PREFERRED VALUE
EVALUATION
C ESTIMATED BY ANALOGY
HUH CO+OH=C02+H
AND H2+H02«H20+HO
R EVALUATION
BASED ON H02+H02 RX
A ESTIMATED
R RECOMMENDED
EVALUATION
X UPPER LIMIT
RELATIVE TO CO + HO
(MUCH SLOWER)
REF DIR ORD
Tl R 2
1967
225. CO + H20
ABC
9.0 0.5 15.
C02 + H2
EXPERIMENTAL
TYP COMMENTS
ORDER MAGNITUDE EST
226. CO + NO
REF DIR ORD A B C
= C02 * N
T EXPERIMENTAL
TYP COMMENTS
M19 F 2 3.0 2.0 41.69
1966 ( 2.0 )
Cl R 2 11.021 0.5 59.6
1967 ( 3.0 )
H30 R 2 8.0
1968
550 DISCHARGE-FLOW
MASS SPEC
TRANS. STATE THEORY
ACT ENERGY RELATED
TO HEAT RX+DISSN EN
SPIN FORBIDDEN
USE N*. INCREASE E
PREEXP ESTIMATED
UPPER LIMIT
Tl R 2 11.3 0.5 8.
1967
ORDER MAGNITUDE EST
-------
5-72
REF DIR ORO
227. CO + N02
= C02 + NO
EXPERIMENTAL
TVP COMMENTS
847 F 2 11.68 0. 27.6
1941
498- THERMAL RX CO/N02
563
J6 F 2 13.08 0. 31.6
1957
540- THERMAL RX CO/N02
727
J6 F 2 0.24
1957
540
F 2 2.06
638
F 2 3.47
727
K45 F
1970
2 12.28 0. 29.26 500-
( 0.27 ) I 0.77 ) 800
R SUGGESTED
Tl F
1967
11.3
0.5
5.
C ORDER MAGNITUDE EST
863 R
1970
C23 R
1969
12.1
9.5
27.6 1050- SINGLE PULSE SHOCK X POWER DEPENDENCE ON
1500 PROD ANAL BY CHROMAT N02(0.77), COI1.13),
AR(O.l)
3000
SHOCK TUBE/MASS SPEC X UPPER LIMIT
NO/C02/AR/NE MIX
228. CO r N23
REF DIR ORD ABC
L9 F 2 11.04 0. 23.0
1969
M29 F
1973
Tl F
1967
2 11.32 0.
( 0.36 )
11.0
0.5
17.3
( 2.3 )
3.
> C02 + N2
EXPERIMENTAL
1317- SINGLE PULSE SHOCK
1908 N20/CO/AR MIX
GC ANALYSIS
1169- SINGLE PULSE SHOCK
1655 02tN2tNO,CO,KR,CQ2t
N20 BY GC
TYP COMMENTS
X
ORDER MAGNITUDE EST
-------
5-73
REF DIR
412 F
1970
A12 F
1970
as e
1968
816 F
1968
B32 F
1967
B77 F
1972
B83 F
1969
Cl F
1967
Cll F
1967
Cll F
1967
021 F
1970
H2 F
1967
12 F
1968
Jl F
1967
K23 F
1961
K33 F
1969
F
L9 F
1969
H12 F
1962
H13 F
1968
S7 F
mo
F
F
S24 F
1972
F
F
F
229.
ORO A
3 13.S64
1 0.071)
3 13.815
I 0.05*1
2 10.2SO
3 13.8
3 13.3
< 0.7 )
3 14.48
3 13.78
3 16.0
( 2.5 I
3 19.0
2 12.3
3 13.24
2 10.0
3 11.83
I 0.31 I
3 19.3
( 1.5 1
2 9.98
3 11.83
( 0.31 I
3 11.23
1 0.31 1
3 12.45
2 10. 0
2 7.0
( 0.2 )
3 12.34
( 0.10 I
3 12.40
I 0.18 I
3 12.71
I 0.11 1
3 15.37
3 12.15
1 0.07 I
3 11.92
1 0.07 1
3 12.35
1 0.06 I
CO * 0
8 C
0. 2.53
0. 0.
u. 0.
u. 3.0
u. 0.
u. 3.5
0. 4.0
0. -2.98
1 0.66 )
-1.0 4.
u. 2.1
0. -2.98
( 0.66 )
u. -2.98
I 0.66 )
0. -23.8
0. 4.0
U. 4.34
( 0.55 1
* H
T
298
298
400-
550
1400-
3000
2800-
3600
300-
3500
1400-
3000
300
300
298
298-
553
136-
230
1000-
3500
373-
523
136-
230
136-
230
1500-
3000
300-
531
456
300
300
300
250-
370
296
296
296
C02 * H
EXPERIMENTAL
DISCHARGE-FLOW SYST
EPR
SHOCK TUBE
C02/AR MIX
SHOCK TUBE STUDY
H2/02/N2/CO/AR MIX
OPT. INTERFEROMETRY
U V FLASH PHOTOL C02
UV PHOTOLYSIS OF C02
FLASH PHOTOLYSIS
STATIC REACTOR
KIN ABSORPT SPECT
FLOW REACTOR
0 FROM OZONE
PYROLYS Of 03-CO MIX
MEASURED LUMINESC
FLOW REACTOR
0 FROM OZONE
SINGLE PULSE SHOCK
N20/CO/AR MIX
CC ANALYSIS
STIRRED FLOW REACTOR
02 DISCHARGE
STIRRED FLOW REACTOR
CO IN EXCESS 02
3 TORR TOTAL PRESS
STATIC REACTOR
0 BY PHOTOOISSOC.
0 RESONANCE RAD
STATIC REACTOR
0 BY PHOTODISSOC.
0 RESONANCE RAO
TYP COMMENTS
X M - CO
X M AR
R TENTATIVE RECOMMEND
NOT TO BE EXTRAP
TO HIGHER TEMP
X M > AR
VALUE APPROXIMATE
X M > AR
STATE THAT VALUE
IS LOWER LIMIT
R M « AR
CONSIDERABLE SCATTER
X M » AR
APPROXIMATE 'VALUE
R SELECTED
X M AR
SINGLET O ATOM
X TEMP NOT GIVEN
PROBABLY ROOM TEMP
SINGLET 0 ATOM
X M - HE
UPPER LIMIT
R SURVEY
X M UNSPECIFIED
R EVALUATION
X
X M - 02
X M CO
X N > AR
X SUGGEST REACTION
PROB SPIN FORBIDDEN
X ASSUMED ONLY
BIMOLECULAR RX
X M > HE
IMPURITIES REPORTED
IN REF S24
X N AR
X M - N2
X M CO
SUPERSEDES REF 57
X n CO
X M N2
X M « C02
-------
5-74
REF D1R ORO
$33 F 3
1972
$35 F 3
1972
F 2
229. CO » 0
A S C
13.602 0. 0.
15.77 u. *.i
10.20 u. 2.9
- C02
EXPERIMENTAL
1300- IGNITION DELAY STUDY
2500 SINGLE PULSE SHOCK
CH4/02/H2/AR MIXES
298- 0 BY PHOTODECOMP N20
472 STATIC OUARTZ REACT
N2»CO,C02 ANAL CHROH
298-
472
TYP COMMENTS
23 RX MECHANISM
LIT RATES VARIED
WITHIN ERROR LIMITS
LOW PRESSURE LIMIT
H - N20
DETAILED MECHANISM
HIGH PRESSURE LIMIT
DETAILED MECHANISM
Tl F 3
1967
16.0 u. 3.5
SELECTED (REF K3)
Zl F 3
1965
R SELECTED (REF Z3I
84 R 2
1968
833 R 2
1963
B38 R 2
1969
32.43 -4.5 127.555
R CURVE FIT DATA OF 01
SET E > DISSN ENERGY
UNUSUAL PREXPON.
11.5 0.5 86.0 2550- SINGLE PULSE SHOCK* X M - AR
3000 GAS CHROMATOGRAPHY. TWO METHODS AGREE
INTENSITY MEASUREMT
32.04 -4.5 126.a
R M - N2
31.98 -4.5 126.B
R H - AR
883 R
1969
C23 R
1969
C26 R
1971
014 R
1964
R
D1S R
1965
F23 R
1966
R
H2 R
1967
K45 R
1970
R
M19 R
1966
01 R
1967
01 R
1967
S33 R
1972
2 18.117
2 13.36
( 0.36 )
2 14.97
2 11.460
2 11.389
2 11.063
2 11.852
2 11.727
2 11.43
2 33.20
13.60
1 0.09 )
2 11.08
3 14.7
2 11.3
2 15.924
-0.58 125.735
0. 74.1
I 6.3 I
u. 100.
0.5 74.1
0.5 74.9
0.5 68.2
O.S 84. »
0.5 79.6
0.5 74.5
-4.77 125.75
u. 81.23
( 1.68 )
0.5 68.27
a. 99.
0. 111.
0. 124.5
1400-
3000
2800-
3200
2800-
3200
3500-
6000
3500-
6000
6000-
11000
3000-
5000
3000-
5000
3473-
5973
2800-
11000
3000-
6000
2800-
4400
2800
3500
1300-
2500
SHOCK TUBE STUDY X
H2/02/N2/CO/AR MIX
OPT. INTERFEROHETRY
SHOCK TUBE/MASS SPEC X
10) FROM N20 DECOMP
R
SHOCK TUBE X
C02 I.R. EMISSION
X
SHOCK TUBE X
C02 BY U.V. AND I.R.
SHOCK TUBE X
C02 BY I.R. EMISSION
X
R
R
R
R
SHOCK-TUBE X
DECOMPOSITION OF C02
SHOCK TUBE X
DECOMPOSITION OF C02
IGNITION DELAY STUDY X
SINGLE PULSE SHOCK
M AR
FROM REVERSE
M NE
SUPERSEDED BY C26
M NE
SUPERSEDES C23
REINTERP HC IMPURITY
H AR
H - N2
UV RES CONSID. LOU
I.R. RESULTS QUOTED
H - AR
CONSIDER C02+0 RXN
M - N2
M N2, AR
SURVEY
SUGGESTED
M - AR
SUGGESTED
M - N2
SELECTED (REF D 14)
M - AR
UNIMOLECULAR
HIGH PRESSURE LIMIT
23 RX MECHANISM
LIT RATES VARIED
CH4/02/H2/AR MIXES
WITHIN ERROR LIMITS
-------
5-75
230. CO + 02
C02 + 0
REF DIR ORO
EXPERIMENTAL
TYP COMMENTS
B18 F
1967
B80 F
1971
Cl F
1967
D20 F
1970
022 F
1971
M19 F
1966
R13 F
197*
S10 F
1965
Tl F
1967
85 R
1968
BIS R
1967
C23 R
1969
Tl R
1967
2 12.40 0.
2 13.20 0.
( 0.54 )
2 12.54 0.
( 3.0 )
2 12.54 0.
2 13.08 0.
2 8.5 1.0
( 1.0 )
2 11.08 0.
( 0.08 )
2 12.54 0.
I 0.16 )
2 12.54 0.
2 13.28 0.
2 13.23 0.
2 13.19 0.
( 0.79 )
2 11.7 0.5
48.0
41.
51.
50.0
60.0
36.18
35.
51.0
( 7.0 )
51.
54.15
53.0
32.5
t 10.9 )
8.
2200-
2600
1750-
2575
1500-
2500
2400-
3000
1500-
3000
2800-
3200
SHOCK TUBE STUDY
H2/CO/C02/02/AR MIX
CO FLAME BAND EMISS
INCIDENT SHOCK
CO/02/AR TRACE H2
(CO),(C02) BY IR
INCIDENT SHOCK
CO/02/AR TRACE CH4
(CO),(C02) BY IR
SHOCK INITIATED
COMBUST H2/02/CO/AR
INDUCTION TIMES
SHOCK TUBE-CO/02 MIX
AR DILUENT
C02 BY I.R. EMISSION
INTERP DATA OF Mil
DIFF MECH 1500-2400K
EFF H20 INCLUDED
ASSUME E * 41 KCAL
SELECTED (REF S10)
BEST FIT TO EXPT
C TRANS STATE THEORY
ACT ENERGY RELATED
TO HEAT RX+DISSN EN
X REANALYSIS PREV DATA
(REF G25)
SELECTED (REF S10)
R TENTATIVE RECOMMEND.
REF S10, B18
USE WITH CAUTION
R FROM REVERSE
2800- SHOCK TUBE/MASS SPEC X ADDITION 02
]) FROM N20 DECOMP DECREASE RATE 40 PCT
ORDER MAGNITUDE EST
-------
5-76
REF OIK ORO
613 F 3
1965
F 3
F 3
F 3
231.
A
13.8
( 0.1 1
14.52
( 0.01 )
15.7
1 0.09 1
13.8
( 0.01 I
H + H
B C
0. -1.4
I 0.46
0. -1.4
I 0.46
u. -0.2
1 0.4
u. -1.4
1 0.4
» M H2 + H
T EXPERIMENTAL
300-
) 5000
300-
) 5000
300-
) 5000
300-
) 5000
TYP
R
R
R
R
COMMENTS
EVALUATION
H H20
EVALUATION
M - H2
EVALUATION
H - H
EVALUATION
H N2
B30 F 3 16.04
1958
1650
X M H20
BASED ON HtHOtM
B72 F 3 15.14
1968 ( 0.06 )
298
DISCHARGE-FLOW SYST
(H) BY ESR
X M > H2
ROOM TEMPERATURE
879 F 3 15.23
1971 I 0.06 I
F 3 15.30
' 0.06 I
298
298
FLOW REACTOR
W WIRE OR DISCHARGE
(H) BY ESR
X M ' H2
X H - HE
F 3 15.43
( 0.06 )
298
X M « AR
F 3 15.24
( 0.06 I
298
X M » N2
F 3 15.41
( 0.06
298
X H > C02
F 3 15.42
( 0.06 )
298
X M » CH4
B83 F 3 18.00 -1.0
1969
F 3 18.30 -1.0
.1400-
3000
1400-
3000
SHOCK TUBE STUDY
H2/02/N2/CO/AR MIX
OPT. INTERFEROMETRY
X M - AR
BEST FIT TO EXPT
X M - N2
F 3 16.40 -1.0
1400-
3000
X M - H2
F 3 19.30 -1.0
1400-
3000
885 F 3 18.0 -1.
1973
200-
4000
C EMPIRICAL CORELATION
888 F 3 15.5
1972
I 0.2 I
300
R M - H2
EVALUATION
F 3 14.9
( 0.2
300
R M AR
EVALUATION
Cl F 3 18.88 -1.0
1967
s I 1.0
R SELECTED
M ANY
02 F 3 14.93
1965
1072
X M N2.H20
F 3 15.74
1072
X M - H2
03 f 3 15.65
1970 I 0.12 I
1050 RICH FLAME H2/N2/02 X M ANY
013 F 3 15.28
1962
1072 H2-02-N2 FLAME
X M - H20tN2
F 3 15.51
1072 H2-02-N2 FLAME
X M « H2
El F 3 17.54 --0.5
1963
R AVERAGED EXPTL DATA
F 3 17.85 -0.5
R AVERAGED EXPTL DATA
-------
5-77
231. H
REF OIK ORO A B
F5 F 3 15.3
1963
* H * M H2
C T EXPERIMENTAL
2000
TYP COMMENTS
R SUGGESTED
66 F 3 14.58
1969
1500 SMOCK TUBE STUDY
LEAN H2/02/H20/AR
OH BY UV ABSORPTION
X M * AR
X M N2
F 3 16.0
1500
X M H20
UPPER LIMIT
G20 F 3 15.48
1974 ( 0.2 I
F 3 17.81 -I.
I 0.3 I
F 3 18.41 -1.
I 0.3 )
H2 F 3 19.0 -l.u
1967
300
300
1700-
5000
1700-
5000
3473-
5273
R M H2
PREFERRED VALUE
BASED ON REF BBS
R M > AR
PREFERRED VALUE
BASED ON REF BB8
R M - AR
PREFERRED VALUE
BASED ON REF 668
R M H2
PREFERRED VALUE
BASED ON REF 888
R SURVEY
M - H
F 3 IB.4 -l.u u.
298-
5273
R M « H2
F 3 18.4 -l.u
298-
5273
R M H20
F 3 18.4 -l.u
298-
5273
R M - N2
F 3 18.0 -l.u
3473-
5273
R M - AR
H14 f 3 15.568
1969
F 3 15.673
F 3 15.34
F 3 15.709
H21 F 3
1969
f 3
H26 F 3 IS.26
1970 I 0.14 I
1900 STUDY OF H2/02 FLANE X « N2
(H) BY LI/LIOH TECHN AVERAGE OF K FOR
1800 AND 2000 K
1900 X M - HE
AVERAGE OF K FOR
1800 AND 2000 K
1900 X M » AR
AVERAGE OF K FOR
1800 AND 2300 K
1900 X M - CO.C02
ASSUMED EQUAL EFFIC
AVERAGE K
2500- SHOCK TUBE STUDY X LOG K -
7000 LINE REVERSAL METHOD 15.243-0.000195T
M H2
2500- X LOG K »
7000 15.787-0.000275T
N AR
1900 H2/02 FLAME STUDY
M - AR
SUPERSEDES REF H14
F 3 IS.26
I 0.14 I
1900
X M HE
F 3 15.28
I 0.14 )
1900
X M N2
F 3 15.73
( 0.07 I
1900
X M CO, C02
H27 F 3 15.15
1967
2500 SHOCK TUBE STUDY X M > H2
SPECTRUM LINE REVERS TEMP DEP INDICI-3/21
F 3 14.59
7000
H2
F 3 16.95
X M - H
TEMP DEP INDICi-7)
F 3 14.57
5500
X M H
-------
5-78
231. H
KEF DIR ORD A B
M - H2 + M
I EXPERIMENTAL
TYP COMMENTS
H34 F 3 15.48
1970 I 0.02 )
II F 3 21.08 -2.0
1964
298 FLOW REACTOR X M H2
H BY HOT FILAMENT EXPTS TO 77K INOIC
CATALYTIC PROBE DET TEMP DEP 1-0.61
R SELECTED
Jl F 3 18.6 -1.0
1967 I 0.7 )
Jll F 3 18.00 -1.0
1967
F 3 16.40 -1.0 0.
1000-
3500
2900- INCIDENT SHOCK
4700 H2/HCL/AR MIX
FOLLOWED HCL
2900-
4700
R SELECTED
H - ANY
AVERASE M DOUBTFUL
X M - AR
X M H2
F 3 19.30 -l.u
2900-
4700
X H - H
K3 F 3 18.88 -l.u
1964
300-
5000
R EVALUATION
M - H20
F 3 18.40 -l.u
300-
5000
R EVALUATION
H - H2
F 3 19.0 -l.D
300-
5000
R EVALUATION
M - H
K25 F ' 3 15.95
1963 I 0.02 )
350 DISCHARGE FLOW SYST X
K39 f 3 18.02 -l.u u.
1967
300-
4000
R RECOMMENDED
H - AR
F 3 18.58 -l.u
300-
3500
R RECOMMENDED
M - H2
F 3 17.47 -O.s
300-
3500
R RECOMMENDED
M - H
K45 F 3 17.49 -0.87 U.
1970
( 0.22 )
200-
5330
R SUGGESTED
M - HE
K45 F 3 18.78 -1.09 0.
1970
( 0.1S )
290-
7000
R SUGGESTED
M - H2
K45 F 3 20.36 -1.5 0.
1970
1273-
2078
R SUGGESTED
M - ANY
L5 F 3 15.53
1964 ( 0.06 I
F 3 15.36
( 0.07 )
293 DISCHARGE FLOW SYST X M H2
H DECAY CALORIHETRIC
PROBE
293
X M AR
L13 F 3 15.53
1965 I 0.06 )
293 FAST FLOW SYSTEM
CALDRlMETRIC PROBE
X M - H2
F 3 15.45
I 0.04 1
213
X M M AR
F 3 15.36
I 0.05
293
X n - AR
F 3 15.30
( 0.05 )
349
X M - AR
F 3 16.4
293
X M > H20
UPPER LIMIT
M23 F 3 16.08
1962 I 0.08 )
300 DISCHARGE-FLOW SYST X H H2
ESR ATOM DETECTION
M24 F 3 17.00
1965
F 3 15.68
1675 SHOCK TUBE STUDY X H - AR
ATOMIC RES ABS SPECT APPARENT AIR CATAL
H2/AR MIX OBSERVED
2145
X H - AR
N3 F 3 16.0
1964
R SUGGESTED
-------
5-79
231. H
REF DIR ORD A b
R3 F 3 15.94 u.
1964
EXPERIMENTAL
1300- H2-02-N2 FLAME
1600
TYP COMMENTS
X H - HZ
F 3 14.74 u.
1300-
1600
X M N2
R7 F 3 18.18 -l.u
1962 ( 0.11 )
F 3 18.5 -l.u
I 0.2 )
F 3 19.0 -l.u
( 0.2 I
S4 F 3 18.176 -l.u
1965
F 3 19.477 -1.0 u.
S28 F 3 17.80 -l.u
1962
F 3 18.41 -1.0
F 3 19.51 -l.u
S33 F 3 14.398 u.
1972
15.602 u.
2800-
5000
2800-
5000
2800-
5000
960-
1080
960-
1080
2800-
4500
2300-
4500
2800-
4500
INCIDENT SHOCK
X-RAY OENSITOMETRY
SHOCK TUBE H2/02/AR
INDUCTION TIMES
8ASED ON OH EMISSION
SHOCK TUBE H2/02/AR
INDUCTION TIMES
BASED ON OH EMISSION
INCIDENT SHOCK
DENSITY PROFILE
2.750 1300-
2500
2.750 1300-
2500
IGNITION DELAY STUDY
SINGLE PULSE SHOCK
CH4/02/H2/AR MIXES
M = XE
1/T DEPEND. ASSUMED
FROM REVERSE
M H2
1/T DEPEND. ASSUMED
FROM REVERSE
M H
1/T DEPEND. ASSUMED
FROM REVERSE
SELECTED
M - AR
SELECTED
M - H20
X H « AR
FROM FIGURE AT 3500K
USING 1/T DEPENDENCE
X M » H2
FROM FIGURE AT 3500K
USING 1/T DEPENDENCE
X M H
FROM FIGURE AT 3500K
USING 1/T DEPENDENCE
X M ' AR 23 RX MECH
LIT RATES VARIED
WITHIN ERROR LIMITS
X M H20
S39 F 3 15.86
1973 I 0.10 )
F 3 15.82
I 0.11 )
F 3 15.61
{ 0.08 )
F 3 15.51
( 0.09 )
300
MOO PHASE-SPACE THEO
MONTE CARLO TRAJECT
PORTER-KARPLUS H3
F 3 14.71
I 0.13 I
10000
Tl F 3 18.3 -1.0
1967
R SELECTED (REF K3I
M ANY
F 3 18.7 -l.u
R M - H2
F 3 19.18 -l.u 0.
R M - H20
F 3 19.3 -1.0
T2 F 3 17.B -1.0
1965
811 R 2 21.0 -1.9 103.24
1965
200-
4000
R RECOMMENDED VALUE
TO COVER HIDE
TEMP RANGE
R SELECTED IREF D 7)
N » ANY
R 2 22.542 -2.0 108.0
R SELECTED (REF S12)
M > AR
R 2 23.843 -2.0 108.0
I 0.46 I
R SELECTED IREF S12)
M « H20
R 2 20.26 -1.5 103.27
R SELECTED (REF Gill
M * H2
R 2 18.08 -0.5 103.27
R SELECTED (REF Gil)
H - H
-------
5-80
231.
H * M
REF DIR ORD
B13 R 2 14.452
1965 ( 0.092)
8 C
0. 102.0
EXPERIMENTAL
TYP COMMENTS
R EVALUATION
M > H20
R 2 15.23
I 0.09 )
0. 102.8
I 0.46 I
R EVALUATION
M > H2
R 2 16.37
I 0.09 I
I 0.4 )
R EVALUATION
M - H
R 2 14.452
( 0.0921
U. 102.8
( 0.46 )
R EVALUATION
H N2
883 R 2 17.854
1969
-0.82 103.240
R 2 IB.154 -0.82 103.240
1400-
3000
1400-
3000
SHOCK TUBE STUDY
H2/02/N2/CO/AR MIX
OPT. INTERFEROMETRY
X H - AR
FROM REVERSE
X H - N2
R 2 18.254 -0.82 103.240
1400-
3000
X M H2
R 2 19.154 -0.82 103.240
1400-
3000
BBS R 2 22.24
1973
-2. 107.4
200-
4000
C FROM REVERSE
B88 R 2 14.94
1972 I 0.30 )
0. 96.0
( 4.0 )
2500-
5000
R M - H2
EVALUATION
R 2 14.34
I 0.30 )
0. 96.0
( 4.0 )
2500-
5000
R H AR
EVALUATION
B94 R 2 13.971
1973
u. 88.9
R 2 15.519 u. 105.3
3500-
8000
3500-
8000
INCIDENT SHOCK WAVES X OVERALL RATE COEFF
DENSITY GRADIENTS BY OF HIGH PRECISION
LASER BEAM DEFLECT
R 2 15.326 U. 87.2
3500-
8000
Gil R 2 17.26
1961
-0.5 103.2
3000-
4500
SHOCK TUBE H2/XE MIX X M - XE
R 2 20.26 -1.5 103.2
3000-
4500
SHOCK TUBE H2/XE MIX X M . H2
R 2 18.08 -0.5 103.2
3000-
4500
SHOCK TUBE H2/XE MIX X M - H
G20 R 2 14.35
1974 ( 0.3
K3 R 2 19.04
1964
u. 96.0
-0.82 103.2
2500-
5000
R M AR
PREFERRED VALUE
BASED ON REF B88
R EVALUATION
M . H20
R 2 18.56 -0.82 103.2
R EVALUATION
M « H2
R 2 19.15 -0.82 103.t
R EVALUATION
M - H
H4 R 2 12.348 0.5 92.6
1968
2290-
3790
SHOCK TUBE STUDY
H2/AR MIX
X M - AR
R 2 13.05 0.5 92.6
2290-
3790
X M - H2
S4 R 2 22.542 -2.0 108.0
1965
R 2 23.843 -2.0 108.0
S33 R 2 15.000 . U. 101.B
1972
16.204 a. 101.0
960- SHOCK TUBE H2/02/AR X SELECTED
1080 INDUCTION TIMES M » AR
BASED ON OH EMISSION
960- SHOCK TUBE H2/02/AR X SELECTED
1080 INDUCTION TIMES H - H20
BASED ON OH EMISSION
1300- IGNITION DELAY STUDY X M AR 23 RX MECH
2500 SINGLE PULSE SHOCK LIT RATES VARIED
CH4/02/H2/AR MIXES HITHIN ERROR LIMITS
1300- X M - H20
2500
-------
5-81
231. H + H
REF DIR ORD ABC
S39 R 2 -59.29
1973 ( 0.10 )
2 -6.39
( 0.11 )
2 8.61
( O.OS )
2 11.51
( 0.09 )
R 2 13.01
( 0.13 )
+ M H2
T EXPERIMENTAL
300
1000
3000
5000
10000
TYP COMMENTS
MOD PHASE-SPACE THEO
MONTE CARLO TRAJECT
PORTER-KARPLUS H3
-------
5-82
232. H + HN
REF DIR ORD
B97 F 2 11.8 0.5 8.
1973
H5 F 2 11.85 0.67 1.5
1968
Tl F 2 12.00 0.68 1.9
1967
H5 R 2 12.48 0.67 21.6
1968
» H2 + N
T EXPERIMENTAL
TYP COMMENTS
C ESTIMATE
TRANS STATE CORELAT
C JOHNSTON-PARR CALC
C JOHNSTON-PARR CALC
C JOHNSTON-PARR CALC
233. H * HNO ° HN + HO
REF DIR ORD A B C T EXPERIMENTAL
Tl F 2 11.3 0.5 13.
1967
TYP COMMENTS
C ORDER MAGNITUDE EST
-------
5-83
234. H + HNO
REF OIR ORD ABC
= H2 + NO
T EXPERIMENTAL
TYP COMMENTS
B46 F 2 12.78 0.
( 0.18 )
0.
1600- H2/02/N2 FLAME
2000
B90 F 2 12.68
1973 ( 0.18 )
2000
R EVALUATION
VALUE FROM REF H39
C4 F 2
1961
9.78
293 H2 DISCHARGE
X LOWER LIMIT OF K
C20 F 2 10.5
1962
226 H2 DISCHARGE
LOWER LIMIT OF K
G21 F
1973
12.68
( 0.2 )
2000
R PREFERRED VALUE
EVALUATION
H2 F 2 12.8
1967
1773
R SURVEY
E APPROX ZERO
H31 F 2 10.5 0.
1972
0.
211-
703
R LOWER LIMIT
PREFERRED VALUE
F 2 12.78 0.
( 0.18 )
0.
1600-
2000
R PREFERRED VALUE
MAXIMUM E=2.7 KCAL/M
N6 F 2 11.5 0.5
1964
2.4
SUGGESTED
SI F 2 13.1 0. 2.5
1967
Tl F 2 12.59 0.5 0.
1967
200-
2000
R RECOMMENDED VALUE
ESTIMATED BASED ON
REFS B46, C20
C ESTIMATED
B90 R 2
1973
R NO RECOMMENDATION
NO EXPERIMENTAL DATA
G20 R
1974
G21 R
1973
6.70
( 0.2 )
6.50
( 0.2 )
2000
2000
R PREFERRED VALUE
FROM REVERSE
NO DATA
R PREFERRED VALUE
FROM REVERSE
REF OIR ORD
235.
+ HNO
H20 * N
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
5-84
236. H * HO
ORO ABC T
H2 + 0
EXPERIMENTAL
TYP COMMENTS
813 F
1965
650 f
1968
B83 F
1969
B8B F
1972
B97 F
1973
Cl F
1967
025 F
1970
G20 F
197*
HZ F
1967
K3 F
196*
K4 F
1963
K*5 F
1970
LS F
196*
MS F
1968
M9 F
1968
N3 F
196*
SI F
1967
S* F
1965
S33 F
1972
T2 F
1965
H31 F
197Z
A3 R
1961
A7 R
1965
B6 R
1956
Bll R
1965
B13 R
1965
B15 R
1966
2 12.73*
2 12.87
I 0.20 )
2 13.288
2 9.92
( 0.15 I
2 ll.o
2 12.15
( 0.70 )
2 12.865
2 9.93
1 0.15 )
2 12.15
2 12.15
2 12.76
I 1.0 )
2 13.03
2 7.*
2 11.20
2 11.5
2 11.1
2 12.75
2 12.7*0
2 13.092
2, 12.72
2 13.130
( 0.3 )
2 13.825
2 10.0
2 10.31
2 12. *0
I 0.70 1
2 13.083
2 11.3
( 0.1 I
u. 7.3
I 0.6 1
U. 7.30
( 0.25 )
0.03 8.053
1.0 6.95
I 0.30 )
0.5 t>.
u. 5.19
U. 7.3
1. 7.0
0. 6.0
0. 5.19
u. 5.8
t 1.5 I
u. 7.97
0.79 *.3
0.5 6.8
u. 7.53
0. 7.370
0. 7.300
0. 7.5
0. 8.05
u. 11.7
I 0.7 )
U. 7.7
0. 7.71
I 1.0 )
0. 9.2
( 0.6 1
300-
3000
*00-
3000
1*00-
3000
*00-
2000
*00-
3000
*00-
2000
398-
1673
300-
2000
370-
1670
.300
1000
*00-
2500
960-
1080
1300-
2500
500-
3000
8*3-
933
1*00-
2500
793
1,00-
750
300-
3000
993
SHOCK TUBE STUDY
H2/02/N2/CO/AR MIX
OPT. INTERFEROMETRY
SHOCK TUBE H2/02/AR
INDUCTION TIMES
BASED ON OH EMISSION
IGNITION DELAY STUDY
SINGLE PULSE SHOCK
CH*/02/H2/AR MIXES
FIRST IGN. LIMIT
CO/02/H2 MIX
SHOCKED H2/02/AR MIX
USED INDUCTION TIMES
1ST EXPLOSION LIMIT
H2/02 RXN
KCL COATED VESSEL
HYDROGEN-OXYGEN
FLAME+EPR SPECTRUM
R FROM REVERSE RX
R FROM REVERSE
X FROM REVERSE
R EVALUATION
C ESTIMATE
TRANS STATE CORELAT
R PRIVATE COMHUN1C.
FROM 8AHN
AGREES WELL WITH K3
R EVALUATION
FROM REVERSE
R PREFERRED VALUE
BASED ON REF 688
R SURVEY
R FROM REVERSE RX
R PREFERRED VALUE
R SUGGESTED
R SUGGESTED
FROM REVERSE
BASED ON C3
C JOHNSTON-PARR CALC
C JOHNSTON-PARR CALC
R SUGGESTED
R FROM REVERSE
X SELECTED
X 23 RX MECHANISM
LIT RATES VARIED
WITHIN ERROR LIMITS
R FROM REVERSE
R RECOMMENDED
X
X CONSTRAINED RATES
TO AGREE WITH
LOW TEMP RESULTS
X UNCERTAIN WHETHER
MEASURED RXN WAS
(H2*OH) OR (H2+OI
R SELECTED (REF K*)
R EVALUATION
REFS C2t C3, CSi C6
X
-------
5-85
236. H + HO - H2 * U
REF OIK ORO ABC T EXPERIMENTAL TYP COMMENTS
BIS R 2 13.7 0. ll.l 900- X
1966 10S2
B16 R 2 13.0 0. 10. 1400- SHOCK TUBE H2/CO/02 X BEST FIT AN4LYT, EXP
1968 3000
B50 R 2 13.24 0. 9.45 400- R EVALUATION
1968 ( 0.20 ) I 0.25 ) 3000
B71 R Z 13.471 0. 9.8 1165- SHOCK TUBE STUDY X BASED ON
1970 I 0.184) I 1.3 I 1620 H2/CO/C02/02/AR MIX K(H»02-OH»0)
10) BY C0»0 EMISSION FROM A3fB8,K4
B74 R 2 13.SO 0. 10.7 978- DILUTE CO/H2 FLAMES X
1968 1067 (H) AND (0) BY ESR
BSD R 2 13.471 0. 9.8 1100- SHOCK TUBE STUDY X
1971 I 0.184) I 1.3 I 1600 H2/CO/C02/02/AR MIX
CO FLAME BAND EMISS
R 2 11.673 1172 X
R 2 11.698 1212
R 2 11.727 1250
R 2 11.801 1255
R 2 11.883 1266
R 2 11.806 1272
R 2 11.901 1297
R 2 11.838 1315
R 2 11.801 1327
R 2 11.819 1335
R 2 11.907 1353
R 2 11.813 1360
R 2 11.872 1422
R 2 11.914 1436
R 2 11.873 1454
R 2 11.930 1498
R 2 12.205 150*
R 2 12.101 1543
R 2 12.223 1575
R 2 12.194 1612
BB2 R 2 13.59 0. 10.0 408- VACUUM FLOM SYST X
1970 ( 0.09 I ( 0.2 ) 520 HF DISCHARGE
(0) BY EPR
-------
5-86
236. H * HO
REF OIR ORD ABC
» H2 » 0
EXPERIMENTAL
B83 R
1969
BBS R
1972
893 R
1973
C2 R
1963
C3 R
1963
C6 R
1961
CB R
1968
020 R
1970
F6 R
1964
F7 R
1965
F9 R
1963
R
F9 R
1963
G3 R
1967
G3 R
1967
64 R
1967
G
-------
5-87
236. M » HO
REF DIR 00.0 ABC
K41 R 2 13.6 u. 10.2
1969
« H2 0
EXPERIMENTAL
TYP COMMENTS
R RECOMMENDED
K45 R
1970
2 13.39
I 0.07 I
9.8* 373-
I 0.17 ) 1667
R SUGGESTED
H4 R
1968
2 12.32 0.5
6.45 1700- SHOCK TUBE STUDY
2700 H2/AR PLUS 02 MIX
M5 R
1968
2 11.79 0.80 6.1
C JOHNSTON-PARR CALC
M9 R
196B
300
C JOHNSTON-PARR CALC
Mil R
1965
2 12.52 u.
r.14 1500- CO OXIDATION X SELECTED (REF K3>
3300 SHOCKED CO-02-AR MIX
R2 R
1966
2 13.08 u.
9.2 1400- SHOCKED H2/02/AR MIX X BEST FIT
2500
SI R
1967
2 13.10 u. 9.4 400-
2500
R RECOMMENDED VALUE
BASED ON C2, C3t R2
S33 R
1972
Tl R
1967
N3 R
1965
2 13.456 u.
9.450 1300- IGNITION DELAY STUDY X 23 RX MECHANISM
2500 SINGLE PULSE SHOCK LIT RATES VARIED
CH4/02/H2/AR MIXES WITHIN ERROR LIMITS
10.
2 11.5 u.a 8.7
R SELECTED
PRIV COMM UESTENBERG
ATTRIB REF H5 IN GA
R SUGGESTED
W4 R
1965
2 8.08
( O.OB I
397 STIRRED FLOW REACTOR X
MASS SPEC ANALYSIS
2 7.98
( 0.09 I
2 8.38
( 0.08 )
428
2 8.71
I 0.08 )
2 9.30
( 0.04 I
2 9.23
I 0.03
508
2 9.89
I 0.02 I
596
2 9.95
( 0.05
600
W4 R
1965
2 13.63 0.
397- STIRRED FLOW REACTOR X
600 MASS SPEC ANALYSIS
W8 R
1967
2 8.28
.( 0.04 )
2 8.83
I 0.06 )
409 DISCHARGE FLOW SYST X
0 FROM N t NO
ESR ATOM DETECTION
464 X
2 9.75
I 0.03 )
2 10.45
( 0.04 )
699
2 10.71
I 0.04 )
734
2 10.97
I 0.01 I
830
2 11.23
I 0.05 i
928
-------
5-88
REF OIR
H8 R
1967
W9 R
1967
R
M9 R
1967
W25 R
1969
R
R
R
R
R
R
H2S R
1969
H44 R
1973
236. H + HO
ORO ABC
2 3.60 0. 10.2
( 0.04 )
2 7.90
( 0.04 )
2 8.32
( 0.02 )
2 13.67 0. 10.2
( 0.12 ) ( 0.5 )
2 7.90
( 0.04 )
2 8.34
( 0.02 )
2 8.38
( 0.03 )
2 9.121
( 0.01 )
2 9.83
( 0.02 )
2 10.77
( 0.04 )
2 10.95
( 0.03 )
2 13.51 0. 10.2
2 13.18 0. 9.4
H2 +0
T EXPERIMENTAL
409-
928
357 DISCHARGE FLOW SYST
0 FROM N + NO
ESR ATOM DETECTION
412
400-
950
357
412
423
514
613
812
910
500-
900
298-
2500
TYP COMMENTS
X
X
X
R COMBINED LOW TEMP
RESULT H/ HIGH TEMP
RESULT OF W8
X SUPERSEDES REF MS
X
X
X
X
X
X
X SUPERSEDES REF H8
R RECOMMENDED
-------
5-89
REF DIR ORD
H » HO * H
C T
- H20
EXPERIMENTAL
TYP COMMENTS
B13 f 3 16.97 0. -1.8S 1000-
1965
I 0.14 I
2200
R SUGGESTED VALUES
M > H20
F 3 16.28 0. -1.85 1000-
I 0.1 I
2200
R M « N2
816 F 3 17.18 -0.5 0.
1968
1*00- SHOCK TUBE STUDY
3000 H2/CO/02 SYSTEM
X USED DENSITY PROFILE
VALUE BEST FIT
B30 F 3 16.74
1958
2270 H2-02-N2 FLAME
BY FLAME PHOTOMETRY
X n » H20
F 3 16.81
2290
F 3 17.09
2195
F 3 17.08
F 3 17.27
F 3 17.28
2085
F 3 17.7*
1650
B31 F
1962
3 17.455
I 0.0*1).
3 16.08
I 0.05 )
300 FLASH PHOTOLYSIS OF X VALUES BASED ON
MATER VAPOR MH+OH+H20) REF 02
TEMP APPROX M - H20
300
X H * HE
3 16.21
I 0.05 I
X M AR
3 16.36
( 0.0*
300
X M XE
3 16.73
< 0.0* )
X M > N2
3 16.92
( 0.10 I
300
X M - 02
3 16.8*
I 0.12 )
X M « C02
BSD F
1968
3 17.068
I 0.2 )
20*0
R CAUTION RECOMMENDED
B83 F
1969
B85 F
1973
3 17.18 -0.5
3 19.0 -1.
1*00-
3000
200-
*000
SHOCK TUBE STUDY
H2/02/N2/CO/AR MIX
OPT. INTERFEROMETRY
X H » AR
BEST FIT TO EXPT
C EMPIRICAL CORELATION
B88 F
1972
3 23.15 -2.0
( 0.18 )
1000-
3000
R EVALUATION
H.- H20
3 22.3* -2.0
I 0.30 I
1000-
3000
R M > N2
3 21.92 -2.0
( 0.30 I
1000-
3000
R M - AR
Cl F
1967
3 19.0 -l.u
( 3.0 I
R EVALUATION
M . ANY
D2 F
1965
3 17.04
1072 H2/N2/02 FLAME
X H » N2 OR H20
D13 F
1962
F14 F
1936
3 16.95
3 16.38
1072 H2-02-N2 FLAME
300 ELECTRIC DISCHARGE
WATER VAPOR
X M H20 OR N2
PROBABLY SIMILAR R
FOR H H2
X ASSUMED (OH) -
10 PCT OISSOC H20
M H20
-------
5-90
237.
R6F DIR OftO A
F 3 16.0*
H + HO + M - H20 » M
C T EXPERIMENTAL TYP COMMENTS
300 X M - HE
G6 F 3 15.52
1969
F 3 15.93
1500 SHOCK TUBESTUDY X M - AR
LEAN H2/02/H20/AR
OH BY UV ABSORPTION
1500 X M - N2
F 3 16.82
1500
X M > H20
F 3 17.20
X M « HZ
UPPER LIMIT
69 F 3 15.73 0.
1967 I 0.18 )
620 f 3 22.3* -2.
197* I 0.3 I
1307-
18*6
1000-
3000
SHOCK TUBE STUDY
H2/02 SYSTEM
(OH) BY U.V. ABSORPT
X H AR
R PREFERRED VALUE
BASED ON REF B88
H2 F 3 22.26 -1.5
1967
1573-
1973
R SURVEY
M - H20
F 3 21.56 -1.5
1573-
1973
R M N2
HI* F 3 15.9*
1968
1915
STUDY OF H2/02 FLAME X N - H20
(H) BY LI/LIOH TECHN
F 3 15.673
F 3 15.822
F 3 15.852
H26 F 3 15.51
1970
! 0.17 I
1900
1900
1900
1900 H2/02 FLAME STUDY
M - N2
AVERAGE OF K FOR
1800 AND 2000 K
M - AR
AVERAGE OF K FOR
1800 AND 2000 K
M > HE
AVERAGE OF K FOR
1800 AND 2000 K
M AR
SUPERSEDES REF HI*
F 3 15.90
I 0.10 I
1900
X N HE
F 3 15.51
I 0.25 I
1900
X M N2
F 3 16. *3
I 0.05 )
1900
X M - H20
F 3 15.56
1900
X M CO. C02
UPPER LIMIT
H F 3 21.26 -2.0
196*
R SELECTED
Jl F 3 19.6 -1.0
1967 ( 1.0 )
1000-
3500
R EVALUATION
H ANY
J3 F 3 17.38 0.
1967
-0.5
1330- STIRRED-FLOH REACTOR X M UNSPECIFIED
1560 HZ/02 RXN
K3 F 3 22.26 -1.5
196*
F 3 21.65 -1.5
1600-
2000
1600-
2000
R RECOMMENDED VALUES
TEMP APPROXIMATE
M H20
R M - ANY
K*5 F 3 2*.3 -2.*3 u.
1970
1072-
2000
R SUGGESTED
M N2
Ml* F 3 17.17
1962
2080
PROPANE-AIR FLAME
(H) BY PHOTOMETRY
X M - H20
F 3 17.06
X M > C02
F 3 16.3
2080
X M N2
-------
5-91
237.
REF D1R ORO
02 f 3 17.69
1959
HO » M - H20
C T EXPERIMENTAL
300
TYP COMMENTS
X M ' H20
F 3 17.32
300
X M HE
P8 F 3 16.64
1958
2*60 H2-02-N2 FLAME X M H20
BY SODIUM EMISSION
F 3 16.79
2360
F 3 16.99
2270
F 3 17.22
2165
F 3 17.28
2085
F 3 16.79
2290
F 3 17.13
2195
F 3 17.32
2110
F 3 16.8
2085
R3 F 3 17.01 (I.
1964
1300- H2-02-N2 FLAME
1600
X M H20
F 3 16.81 u.
1300-
1600
X M > N2
S4 F 3 19.556 -1.0
1965
F 3 20.857 -l.u
S19 F 3 15.60 u.
1964 ( 0.18 )
960- SHOCK TUBE H2/D2/AR X SELECTED
1080 INDUCTION TIMES H - AR
BASED ON OH EMISSION
960- SHOCK TUBE H2/02/AR X SELECTED
1080 INDUCTION TIMES M - H20
BASED ON OH EMISSION
1400- SHOCK TUBE STUDY OF X M AR
2000 HZ/02 SYSTEM
S33 F 3 16.146 u.
197Z
17.079 0.
1300- IGNITION DELAY STUDY X H AR 23 RX MECH
2500 SINGLE PULSE SHOCK LIT RATES VARIED
CH4/02/H2/AR MIXES WITHIN ERROR LIMITS
1300-
2500
X M > H20
Tl F 3 21.65 -1.5
1967
R SELECTED (REF K3)
H > ANY
F 3 22.26 -1.5
R SELECTED (REF K3)
M H20
W31 F 3 25.18 -2.6
1972
( 0.5 )
1000-
3300
R M - H20
RECOMMENDED
F 3 23.88 -2.6
( 0.5 )
1000-
3300
R M AR
RECOMMENDED
II F 3 16.28
1965
I 0.07
16.03
( 0.09 )
2307 C2H2/AIR FLAME X M « N2 « H20
(OH) BY U.V. ABSORPT
IHI BY LI EMISSION
2410 X
12 F 3 17.74
1965
F 3 15.9
2307 C2H2/AIR FLAME X M - K
(OHI BY U.V. ABSORPT
(HI BY K EMISSION
2307
X M - OH
813 R 2 17.59 0. 117.3 300-
1965 I 0.20 I ( 0.46 I 3000
R FROM REVERSE RX
M H20
-------
5-92
237. ii « HO * M
REF DIR ORD ABC T
R 2 16.89 0. 117.3 300-
I 0.1S I I 0.46 ) 3000
H20
EXPERIMENTAL
TYP COMMENTS
R FROM REVERSE RX
M ANY
B24 R 2 24.597 -2.0 123.2
1965
R 2 25.898 -2.0 123.2
ft SELECTED (REF S12)
M AR
R SELECTED IREF S12)
M - H20
R 2 21.u -1.3 114.73
R SELECTED (REF 07)
M - HE
R 2 23.0 -1.3 114.73
R SELECTED (REF 07)
M XE
850 R
196B
BB3 R
1969
BBS R
1973
888 R
1972
R
R
G20 R
1974
H24 R
1969
R
R
H24 ft
1970
R
K3 R
1964
R
01 R
1967
S4 R
196S
R
S33 R
1972
R
H44 R
1973
2 5.53
1 0.18 I
2 17.598
2 23.89
2 16.34
I 0.2 )
2 15. 54
1 0.3 )
2 15.11
I 0.3 1
2 15.54
I 0.2 )
2 23.60
1 0.05 )
2 15.04
1 0.07 I
2 24.90
: 0.9 )
3 23.88
3 25.18
2 22.83
2 22.23
2 21.23
2 24.597
2 25.098
2 17.411
18.342
3 23.88
-0.31 118.027
-2. 122.6
u. 105.
( 5. I
u. 105.
( 5. )
u. 105.
( 5. )
u. 10S.1
-2.2 118.
u. 105.
1 S. 1
-2.£ 118.
-2.6 0.
-2.6 0.
t
-1.31 118.0
-1.31 118.0
-0.5 117.6
-2.0 123.2
-2.0 123.2
0. 119.5
0. 119.5
-2.6 0.
2040
1400-
3000
200-
4000
2000-
6000
2000-
6000
2000-
6000
2000-
6000
2570-
3290
2570-
3290
2570-
3290
2570-
3290
2570-
3290
300-
2000
300-
2000
2700-
6000
960-
1080
960-
1080
1300-
2500
1300-
2500
SHOCK TUBE STUDY
H2/02/N2/CO/AR MIX
OPT. INTERFEROMETRY
SHOCK TUBE STUDY
H20/AR MIX
(OH) BY FLASH ABSORP
SHOCK TUBE STUDY
H20/AR MIX
(OH) BY FLASH ABSORP
SHOCKED H20-AR MIX
(H20) BY I.R. EMISS
(OH) BY U.V. ABSORP
SHOCK TUBE H2/02/AR
INDUCTION TIMES
BASED ON OH EMISSION
SHOCK TUBE H2/02/AR
INDUCTION TIMES
BASED ON OH EMISSION
IGNITION DELAY STUDY
SINGLE PULSE SHOCK
CH4/02/H2/AR MIXES
R FROM REVERSE
E PROBABLY 119 KCAL
CAUTION RECOMMENDED
X H AR
FROM REVERSE
C FROM REVERSE
CORRECTED C
R EVALUATION
M - H20
R M - N2
R M Aft
ft M - N2
PREFERRED VALUE
BASED ON REF 886
X M « AR
X M - AR
ALTERNATE EXPRESSION
X M H20
X M - AR
X M - H20
R RECOMMENDED VALUES
FROM REVERSE RXN
M H20
R M ANY
X M AR
X SELECTED
M > AR
X SELECTED
H H20
X H - AR 23 RX MECH
LIT RATES VARIED
WITHIN ERROR LIMITS
X M - H20
ft M > Aft
BASED ON REF H24
3 25.18 -2.6
H20
-------
5-93
REF OIR
621 f
1957
824 f
1965
B4B f
1960
888 f
1972
06 f
1962
019 t
1969
029 t
1973
G20 t
1974
Jl f
1967
K45 f
1970
K47 f
1973
111 F
1971
L16 f
1974
888 R
1972
238. H . H02
3RD ABC
2 14.86 0. 0.
2 14.86 0. u.
2 13.82
2 14.4 0. 1.9
( 0.2 1 ( 0.7 1
2 14.61
2
2
2 14. 4O 0. 1.9
1 0.3 I
2 13.8 0. 0.
( 1.0 1
2 14.23 u. 2.0
2 14.40 0. 1.9
1 0.7 1
2 14.0 u. 1.8
I 1.0 1
2 14.40 0. 1.9
1 0.3 1
2 13.1 0. 40.1
I 0.2 1 ( 0.7 1
HO HO
T EXPERIMENTAL
293-
319
773 THERMAL REACTION
290-
800
773
293 MASS SPEC ZONING OF
DIFFUSION CLOUD
FLAME VELOCITY MEAS
COMPARED UITH CALC
BASED ON MECHANISM
290-
800
1000-
3500
300-
773
300-
1000
300-
1000
290-
BOO
TYP
X
R
X
R
X
X
X
R
R
R
R
R
R
R
COMMENTS
SELECTED IREF 8211
K IS THAT CALCULATES
BY SCHOFIELO IS1I
EVALUAT ION
BASED ON KIH02.H02I
FROM REF 821
RELATIVE RATES TO
HO>HO/H2*02/H20>0
1.0/1.2/0.11
RELATIVE RATES TO
HO.HO/H2.Q2/H2Q*0 »
1.0/0.17/0.1
PREFERRED VALUE
BASED ON REF 688
SELECTED (REF 061
SUGGESTED
RECOMMENDED
BASED ON 888
EVALUATION
BASED ON RATIO PATHS
A ESTIMATED
RECOMMENDED
EVALUATION
FROM REVERSE
BBS F
1972
ORO
2
13.4
( 0.3
0.7
1 0.7 1
290-
800
M2 .02
EXPERIMENTAL
TYP COMMENTS
R EVALUATION
019 F
1969
029 F
1973
520 F
1974
13.40
1 0.4 I
290-
800
MASS SPEC ZONING OF
DIFFUSION CLOUD
FLAME VELOCITY MEAS
COMPARED KITH CALC
BASED ON HECHAXI5H
RELATIVE RATES TO
NO«HO/H2*02/H20*0
1.0/1.2/0.11
RELATIVE RATES TO
MO«HO/H2«02/H20»0
1.0/0.17/0.1
PREFERRED VALUE
BASED ON REF BB8
Jl F
1967
13.3
! 1.0 1
1000-
3500
C ESTIMATED BY COMPAR
WITH H.H02-HO«HO
K47 F
1973
0.7
1 0.7 1
R RECOMMENDED
BASED ON 688
Lll F
1971
13.3
1 1.0 1
300-
1000
R EVALUATION
BASED ON RATIO PATHS
L16 f
1974
13.40
( 0.3 1
300-
1000
R RECOMMENDED
EVALUATION
»3 F
1964
S33 F
1972
Tl F
1967
13.041 0.
5.403 1300- IGNITION DELAY STUDY
2500 SINGLE PULSE SHOCK
CH4/02/H2/AR NIXES
23 RX MECHANISM
LIT RATES VARIED
WITHIN ERROR LIMITS
ORDER MAGNITUDE EST
BBS R
1972
2 13.7 0.
I 0.3 I
57.8 290-
1 0.7 ) 800
FROM REVERSE
S33 R
1972
13.477 0.
1300- IGNITION DELAY STUDY
2500 SINGLE PULSE SHOCK
CH4/02/H2/AR HUES
21 RX MECHANISM
LIT RATES VARIED
UITHIS ERROR LIMITS
-------
5-94
240. H
REF DIR ORD A B
B88 F 2 12.9
1972 t 0.9 )
019 F 2
1969
029 F 2
1973
111 F 2 13.0 0.
1971 ( 1.0 )
L16 F 2 13.7 0.
1974 ( 0.5 )
B88 R 2
1972
+ H02
C T
293
293
1.0 300-
1000
1.0 300-
1000
» HZO +0
EXPERIMENTAL
MASS SPEC ZONING OF
DIFFUSION CLOUD
FLAME VELOCITY MEAS
COMPARED WITH CALC
BASED ON MECHANISM
TYP COMMENTS
NO RECOMMENDATION
RATIO TO K(85)iK(B6)
NO DIRECT MEASUREMT.
RELATIVE RATES TO
HO+HO/H2+02/H20+0
1.0/1.2/0.11
RELATIVE RATES TO
HO+HO/H2+02/H20+0 -
1.0/0.17/0.1
EVALUATION
BASED ON RATIO PATHS
E ESTIMATED
RECOMMENDED
EVALUATION
EST ACTIVAT. ENERGY
NO RECOMMENDATION
EXPECTED TO BE INSIG
REL TO H20+0-HO+HO
-------
5-95
REF DIR
813 F
1965
B24 F
1969
BSD F
1968
B58 F
1965
B88 F
1972
01 F
1965
02 F
196S
029 F
1973
F* F
195S
F5 F
1963
F7 F
196S
620 F
197*
H2 F
1967
J3 F
1967
K3 F
196*
K4 F
1963
K45 F
1970
MB F
1967
SI F
1967
S* F
1965
S33 F
1972
Tl F
1967
T2 f
1965
Ml F
196B
A7 R
1965
AID R
1967
R
2*1.
ORO A
2 13.60
2 1*.*8
I 1.0 I
2 13.92
I 0.14 I
2 13.63
I 0.18 I
2 13.97
I 0.06 )
2 9.82
1 0.06 I
2 13.96
2 12. *3
I 0.06 I
2 10.3
2 15.0
2 13.70
2 13.96
1 0.2 )
2 14.5
2 15.19
2 14.38
2 14.48
I 1.0 )
2 I*. 03
2 11.41
2 14.26
2 14.840
2 14.175
2 11.46
2 14.5
2 14.0*
2 10.8
2 11.28
2 11.30
H r H20
8 C
u. 19.9
I 0.6 I
0. 21.1
1 1.5 )
0. 20.1
I 0.5 I
U. 19.9
1 0.6 )
0. 20.36
1 0.20 I
0. 20.*
0. 25.
0. 20.0
0. 20.4
0. 21.
0. 25.49
0. 20.7
0. 21.1
I 1.5 )
0. 20.43
0.68 18.7
U. 20.665
U. 21.62
0. 20.10
0.7 18.
0. 21.0
u. 20.
0. 5.9
T
300-
3000
300-
3000
1000-
1130
300-
2500
1072
310-
1072
1050
1285
300-
1600
300-
2500
1330-
1560
300-
2000
300-
2200
1000-
4000
300-
2500
960-
1080
1300-
2500
300-
1500
813
823
"HO * H2
EXPERIMENTAL
LOU PRESS FLAT FLAME
H2/02/N2 FLAME
H2/N2/02 FLAMES
DEUTERIUM ADDED
FLAME STUDY
(HI BY RXN (H*020I
SriRREO-FLOH REACTOR
H2/02 RXN
SHOCK TUBE H2/02/AR
INDUCTION TIMES
BASED ON OH EMISSION
IGNITION DELAY STUDY
SINGLE PULSE SHOCK
CH4/02/H2/AR MIXES
SHOCKED H2/02/AR MIX
USED INDUCTION TIMES
NOT SENSITIVE TO K
H2/02 RXN
TYP COMMENTS
R FROM REVERSE
R SELECTED IREF K4)
R FROM REVERSE
X
R EVALUATION
X REVISED VALUE
DETERMINED RATIO
TO KIH+0201 » 1.8
R EST FROM REVERSE
X BASED ON HD/H2 RATIO
0
X K(H+D20I-KIH*H20)
ASSUMED
R SUGGESTED
R EVALUATION
R PREFERRED VALUE
BASED ON 888
R SURVEY
X BEST FIT BETWEEN
XPTL AND COMPT TEMPS
R CALCULATED FROM REV
R FROM REVERSE RXN
R
C JOHNSTON-PARR CALC
R FROM REVERSE
X EST FROM REVERSE
X 23 RX MECHANISM
LIT RATES VARIED
NITHIN ERROR LIMITS
C JOHNSTON-PARR CALC
R FROM REVERSE
R FROM REVERSE RXN
X CONSTRAINED RATES
TO AGREE WITH
LOW TEMP RESULTS
X ANALYT SOL^ OF RXN
MECHANISM
X
-------
5-96
241. H * H20
REF DIR ORD ABC
HO * HZ
T EXPERIMENTAL
TYP COMMENTS
R 2 11.34
843
A14 R 2 14.52 u.
1964
11.U
378- H20 DISCHARGE-FLOW
489 OH BY SPECTROSCOPY
BASED ON A9
A17 R 2 11.28
1967
R 2 11.30
813
IGNITION LIMITS
STATIC VACUUM APP
HCO COATED VESSEL
R 2 11.34
843
B6 R 2 10.31
1956
793' 1ST EXPLOSION LIMIT X UNCERTAIN WHETHER
H2/02 RXN K MEASURED RXN HAS
CL COATED VESSEL (H2+OH) OR (H2*0)
B13 R 2 12.92 u. 4.7 300-
1965 I 0.6 ) 3000
R BASED ON XPTL DATA
REFS 02 AND 04
815 R 2 11.98
1966
900 HYDROGEN-OXYGEN X
FLAME»EPR SPECTROM
R 2 12.10
R 2 12.19
993
R 2 12.31
1052
B15 R 2 14.08 u. 8.6 900-
1966 I 0.15 ) I 1.2 ) 1052
BSD R 2 13.34 u. 5.15 300-
I 0.14 I
I 0.15 ) 3000
R EVALUATION
B71 R 2 13.28 u. 4.8 1100- SHOCK TUBE STUDY X
1970 I 0.41 ) I 1.7 ) 1600 H2/CO/C02/02/AR MIX
(0) BY C0»0 EMISSION
BBO R 2 13.28 0.
1971
( 0.41 )
R 2 12.394
4.8 1100- SHOCK TUBE STUDY
I 1.7 I 1600 H2/CO/C02/02/AR MIX
CO FLAME BAND EMISS
1083
R 2 12.688
R 2 12.729
1117
R 2 12.212
1130
R 2 12.086
1152
R 2 12.617
1170
R 2 12.493
R 2 12.111
R 2 12.134
R 2 12.188
R 2 12.352
R 2 12.433
1284
-------
5-97
REF DIR ORO
241. H * H20
ABC
- HO + H2
T EXPERIMENTAL
TYP COMMENTS
R 2 12.479
1285
R 2 12.517
R 2 12.316
1353
R 2 12.509
1370
R 2 12.533
1422
R 2 12.422
1444
R 2 12.594
R 2 12.606
1472
R 2 12.628
1511
R 2 12.634
1533
R 2 12.559
1554
R 2 12.760
1573
R 2 12.659
1596
R 2 12.768
1596
880 R
1971
2 13.32
( 0.41
5.1
I 0.3 )
300-
1900
X COMBINED OWN RESULTS
WITH THOSE OF IG10)
B88 R
1972
2 13.34 0.
I 0.06 I
5.15
0.20
300-
2500
R EVALUATION
B93 R
1973
Cl R
1967
2 13.34 0.
( 0.11 )
2 11.8 0.5
( 1.0 )
5.15
5.0
300-
2500
R CRITICAL EVALUATION
ACCURATE OVER QUOTED
TEMP RANGE
R SELECTED (REF 051
01 R
196S
02 R
1965
2 12.20
( 0.07 )
2 12.04
1072 H2/02/N2 FLAME
H2/02/N2 FLAME
IOHI BY SPECTROSCOPY
X REVISED VALUE
OETERHINED RATIO
TO KIH+D20I -1.8
X ASSUMES ALL HYDROGEN
CONSUMED IN RXN
05 R
1966
05 R
1966
9.59
0.02 I
2 13.36 a.
300
300-
1950
DISCHARGE FLOM SYST
OH FROM H+N02
(OH) BY ESR
R CRITICAL SURVEY
Oil R
1965
2 12.04
( 0.07 )
1072
H2/02/N2 FLAME
ADDED TRACE C02
X BASED ON ENTHALPY OF
OH - 9.33 KCAL
Oil R
1965
019 R
1969
2 13.13 u.
( 0.3 I
2 9.89
( 0.12 )
5.0 310-
( 0.6 I 1072
293
MASS SPEC ZONING OF
DIFFUSION CLOUD
R FITTED ONN HIGH TEMP
RESULT WITH LOW TEMP
RESULT OF D4
X TOOK ACCOUNT OF
HO* 0 H » 02
025 R
1970
2 13.340 O.
5.15
300-
3000
R EVALUATION
E5 R
1971
2 13.0 u.
4.8 500-
1500
LOW PRESS FLAT FLAME
FUEL-RICH H2/02
X H2. 02, H20i H, OH
BY MASS SPEC. GC,
UV ABSORPT, ESR SPEC
-------
5-98
R6F DIR ORO
F5 R 2
1963
Ft, * 2
1964
F9 R ?
1963
G7 R 2
1967
G10 R 2
1969
ft 2
Ft 2
R 2
R 2
R 2
R 2
R 2
R 2
R 2
R 2
R 2
R 2
R 2
R 2
R 2
CIO R 2
1969
016 R 2
1968
G22 R 2
1973
H2 R 2
196T
Jl R 2
1967
J3 R 2
1967
K3 R 2
1964
241. H * H23
ABC
14.40 0. 10.
13. d u. 6.1
14.40 u. 10.0
9.60
( 0.02 1
9.755
1 0.014)
9.668
( 0.029)
9.757
I 0.022)
9.697
I 0.012)
9.587
1 0.023)
9.627
I 0.019)
9.618
1 0.035)
9.673
( 0.016)
9.933
( 0.067)
10.146
( 0.009)
10.531
( 0.011)
10.806
1 0.028)
10.838
I 0.012)
10.840
( 0.006)
10.806
( 0.016)
10.897
( 0.034)
12.61 0. 4.02
( 0.10 I 1 0.18 )
9.60
I 0.02 )
13.72 0. 6.5
1 0.08 I
13.80 u. 5.9
13.4 u. S.5
1 0.5 1
14.49 0. 10.3
13.80 0. 5.9
T
301
295
295
296
296
300
300
300
305
332
358
420
495
495
495
495
498
300-
500
300
1200-
2500
298-
1973
1000-
3500
1330-
1560
300-
2000
HO » H2
EXPERIMENTAL TYP
R
R
H2/02 FLAHES X
FLASH PHOTOLYSIS X
H20/H2 MIX
FLASH PHOTOLYSIS X
KINETIC SPECTROSCOPY
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
FLASH PHOTOLYSIS x
KINETIC SPECTROSCOPY
FLASH PHOTOLYSIS x
KINETIC SPECTROSCOPY
SHOCK-INIT COMBUST. x
H2/02/CO/C02/AR MIX
R
R
STIRREO-FLOW REACTOR X
H2/02 RXN
R
COMMENTS
SUGGESTED
SUGGESTED VALUE
FLAME TEMPERATURES
REFERENCES F4
i
DISCUSS POSSIBLE
NONLINEAR ARRHENIUS
SURVEY
EVALUATION
BEST FIT BETWEEN
XPTL AND COHPT TEMPS
EVALUATION
VALUE OF K4
-------
5-99
241.
H20
HO + H2
REF OIR ORO
EXPERIMENTAL
TYP COMMENTS
K4 R
1963
K4 R
1963
2 9.63
( 0.09 )
310 DISCHARGE FLOW SYST X
OH FROM H+N02
IOHI BY U.V. ABSORPT
2 13.80 u. 5.9 300-
( 0.7 I I 1.0 ) 2000
R EVALUATION
K5 R
1959
2 14.12 0. 10.0
R REVIEW OF RADICAL
REACTIONS IN FLAMES
K9 R
1964
K9 R
1964
2 9.6
I 0.7 )
2 13.8
5.9
300 DISCHARGE FLOW SYST X TEMP APPROXIMATE
OH FROM H+N02
(OH) BY U.V. ABSORPT
R SUGGESTED VALUE
KIT R
1958
2 12.6 1.0 10.0
R SELECTED
K38 R
1968
2 13.36 u.
5.2
I 0.3
R RECOMMENDED
H28 R
1966
2 11.34 0.56
C JOHNSTON-PARR CALC
N3 R
1964
2 12.5 0.5 6.0
R SUGGESTED
R2 R
1966
2 13.6 u.
5.7 1400- SHOCKED H2/02/AR MIX X BEST FIT
2500
SI R
1967
2 13.58 0.
5.49
300-
2500
R RECOMMENDED VALUE
BASED ON OS, R2
S4 R
1965
S32 R
1972
S33 R
1972
Tl R
1967
2 14.170 0.
2 9.63
I 0.06 )
2 13.591 0.
2 11.8 0.5
6.430 960- SHOCK TUBE H2/02/AR X SELECTED
1080 INDUCTION TIMES
BASED ON OH EMISSION
298 PULSED VACUUM PHOTOL X
OF H20 FOR OH
(OH) BY RES FLUORESC
3.150 1300- IGNITION DELAY STUDY X 23 RX MECHANISM
2500 SINGLE PULSE SHOCK LIT RATES VARIED
CH4/07/H2/AR MIXES WITHIN ERROR LIMITS
5. R SELECTED (REF 05)
HI R
1968
2 13.36 0.
( 0.7 )
5.2
300-
1500
R EVALUATION
W10 R
1964
2 9.76
( 0.18 )
300
EFFECT OF OH ON (H)
BY ESR
X UNCERTAINTY IN
DIFFUSION COEFF
W31 R
1972
2 13.58 u.
( ,0.3 I
5.2
300-
2000
R EVALUATION
BASED ON CO+OH-C02+H
W32 R
1973
9.66
298 FAST FLOW REACTOR
ESR DETECTOR
OH BY N02 * H
X DATA EXHIBITS
CURVATURE ON
ARRHENIUS PLOT
R 2 10.03
352
R 2 10.29
403
R 2 10.91
51B
R 2 11.34
628
R 2 11.60
745
W44 R 2 13.34 0.
1973
5.15
R BASED ON B50
-------
5-100
242. H + N + M
REF OIR ORD A B C T
= HN + M
EXPERIMENTAL
TYP COMMENTS
B91 F 3 16.17 298
1973 ( 0.29 )
H2 F 3 11.68 298
1967
Tl F 3 16.5 -0.5 0.
1967
QUARTZ FLOW REACTOR
(N) BY EPR. NO TITR
(H) BY EPR
N BY MICROWAVE OISCH
H BY HEATED FILAMENT
SURVEY
M = ANY
UPPER LIMIT
ORDER MAGNITUDE EST
243. H * NO
» HN + 0
REF DIR ORD
EXPERIMENTAL
TYP COMMENTS
B97 R 2 11.8 0.5 0.
1973
C ESTIMATE
TRANS STATE CORELAT
Tl R 2 11.7 0.5 5.
1967
ESTIMATE BASED ON 08
-------
5-101
244.
REF OIR DRD
* NO
c
- HNO t M
EXPERIMENTAL
TYP COMMENTS
421 F
1972
3 16.36
I 0.02 I
3 16.29
I 0.02 I
300 STATIC REACTOR X M - H2
KG PHOTOSENS OISSN H ROOM TEMPERATURE
(HI BY LYHAN ALPHA DISCUSS ENERGY TRANS
300
X M - KR
3 16.19
I 0.01 I
300
X M - HE
3 16.IS
( 0.01
X M AR
3 15.88
( 0.02 I
300
X M Ng
890 F
1973
3 15.73
I 0.15 )
-0.6
I 0.2 )
230-
700
R EVALUATION
VALUE FROM REF K9
C4 f
1961
3 15.68
294 H2 DISCHARGE
X M - H2
C20 F
1962
3 15.97 u.
-0.6
( 0.2
231- DISCHARGE FLOW SYST X M H2
704
C20 F
1962
16.310
I 0.041)
X M - H2
3 16.161
I 0.056)
265
X M - H2
3 16.170
( 0.042)
294
X M H2
3 16.173
{ 0.0421
X M H2
3 16.068
I 0.052)
X M H2
15.88
I 0.05 )
704
X M H2
3 15.94
I 0.07
X M - AR
3 15.86
I 0.06 )
293
X M - NE
3 15.82
I 0.06 I
293
X M - HE
G20 f
1974
G21 F
1973
H2 F
1967
H10 F
1967
3 15.88
I 0.2 )
3 15.74 u. -0.6
I 0.2 )
3 13.0
3 16.045
I 0.055)
230-
700
230-
700
298 DISCH-FLOH SYST
R M > H2
PREFERRED VALUE
EVALUATION
R M > H2
PREFERRED VALUE
RATE OF REF K9
R SURVEY
M H2
E APPROX ZERO
X M AR
3 16.316
( 0.036)
298
X M ' H2
3 16.354
( 0.042)
298
X M C02
3 16.389
I 0.0721
X M N20
3 16.834
I 0.071)
298
X H H20
K9 F
1964
3 15.74 u.
-0.6
( 0.2 )
231-
704
R BASED ON REF C4
N6 F
1964
3 15.6 0. -0.6
R SUGGESTED
-------
5-102
244.
+ NO + H
REF OIR ORD ABC
Sll F 3 16.04
1963
Tl F 3 17.0 -0.5 0.7
1967
B90 R 2
1973
620 R 2 16.5 0. 46.7
1974 ( 0.2 )
621 R 2 16.5 0. 48.7
1973 ( 0.2 )
T EXPERIMENTAL TYP
298 DISCHARGE FLOW SYST X
R
R
230- R
700
230- R
700
COMMENTS
M > H2
BASED ON EXPTL DATA
REFS Sll + C4
NO RECOMMENDATION
NO EXPERIMENTAL DATA
M » H2
NO DATA
BASED ON REVERSE
M = H2
FROM REVERSE
NO XPTL DATA
-------
5-103
REF
B67
1971
B90
1973
245. H
OIK ORD A B
R 2 13.45 u.
R 2
NO
« HO * N
EXPERIMENTAL
1800-
3000
TVP COMMENTS
R BASED ON RATIO OF C8
AND KIH+OH-02+H)
FROM S29
R NO RECOMMENDATION
PREFER DATA OF C8
B97
1973
Cl
1967
R 2 ll.o 0.5
R 2 11.72 0.5
I 2.0 )
5.627
ESTIMATE
TRANS STATE CORELAT
CORRECTED C
ORDER MAGNITUDE EST
CB
1968
G20
1974
R 2 13.61
( 0.04 )
R 2 13.50
( 0.3
320
N2 DISCH-FLOW SYST
METHOD AS IN REF CIS
RELATIVE TO
HO+O-H+02
USED VALUE OF C3
PREFERRED VALUE
EVALUATION
621
1973
Tl
1967
R 2 13.50
( 0.3
R 2 11.7 0.5
PREFERRED VALUE
BASED ON REF C8
TEMP DEP PRBLY SMALL
ORDER MAGNITUDE EST
tm
1972
R 2 13.54
I 0.5 )
320
RECOMMENDED
REF DIR ORD
246.
N02
HN 4-02
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
247. H
REF OIR ORD A B
Tl R 2 10.7 0.5
1967
N02
> HNO » 0
EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
-------
5-104
REF DIR
A2 F
1962
890 F
1973
F7 F
1965
G20 F
1974
G21 F
1973
H2 F
1967
H31 F
1972
K45 F
1970
N6 F
1964
P2 F
1962
Rl F
1961
SI F
1967
S5 F
1962
Tl F
1967
890 R
1973
G20 R
1974
G21 R
1973
248. H
ORO A B
2 13.74
2 14.35 u.
( 0.25 ) I
2 14.48
2 14.54 0.
I 0.1 I
2 14.54 0.
( 0.2 )
2 13.46
2 13.46
( 0.10 I
2 14.73 u.
2 12.1 0.5
2 13.46
( 0.04 1
2 13.5 0.
2 14.86 0.
2 13.46
2 11. ( 0.5
2
2 12.50 u.
( 0.3 )
2 12.23 0.
( 0.3 )
+ N02
C T
633
1.5 298-
1.0 ) 630
300
1.9 298-
633
1.9 298-
633
298
298
1.74 300-
630
0.
300
0. 500-
540
1.93 298-
633
298
3.
30.0 298-
633
30.0 298-
633
- HO * NO
EXPERIMENTAL
H2/02 IGNITION
H2 DISCHARGE
H2/CL2/N02 THERMAL
H2 DISCHARGE
TYP COMMENTS
X MEAS RELATIVE TO
H+02+H2 - H02+H2
BASED ON REF VI
R EVALUATION
SELECTED (REF P2)
R PREFERRED VALUE
BASED ON REF H38
R PREFERRED VALUE
EVALUATION
R SURVEY
E APPROX ZERO
R PREFERRED VALUE
MAX E-2 KCAL/HOLE
R SUGGESTED
SUGGESTED
R RECOMMENDED VALUE
BASED ON REFS P2i A2
X ROOM TEMPERATURE
C ORDER MAGNITUDE EST
R NO RECOMMENDATION
NO VALID DATA
R PREFERRED VALUE
FROM REVERSE
R PREFERRED VALUE
FROM REVERSE
NO XPTL DATA
249.
REF OIR ORO
N02
> H02 * N
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
5-105
250. H * N2
REF DIR ORD ABC
B97 R 2 11.8 0.5 0.
1973
Tl R 2 11.7 0.5 2.
1967
= HN * N
T EXPERIMENTAL
TYP COMMENTS
C ESTIMATE
TRANS STATE CORELAT
C ESTIMATED BASED ON
REF 08
251.
REF DIR ORD A
Tl F 2 11.0
1967
H + N20
B C
0.5 30.
= HN + NO
T EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
252.
REF OIR ORD A
Tl R 2 10.7
1967
0.5
+ N20
C
3.
HNO + N
EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
-------
5-106
REF DIR ORO
253. H + N20
IX B C
= HO + N2
T EXPERIMENTAL
TYP COMMENTS
890 F
1973
B92 F
1973
Dl F
1965
01 F
1965
D2 F
1965
F
F2 F
1959
F6 F
1964
G21 F
1973
H19 F
1969
K45 F
1970
SI F
1967
Tl F
1967
B90 R
1973
G20 R
197*
G21 R
1973
2 13.88 0.
( 0.15 )
2 9.41
( 0.15 )
2 10.6
( 0.3 )
2 13.7 0.
( 0.4 )
2 10.63
2 11.46
2 14.62 0.
2 14.5 0.
2 13.88 0.
( 0.2 )
2 13.60 0.
2 13.95 0.
( 0.21 )
2 13.47 0.
2 14.5 0.
2 12.4 0.
2 12.51 0.
( 0.2 )
2 12.18 0.
( 0.2 )
15.1 700-
( 1.0 ) 2500
773 STATIC REACTOR
H2/02/HE/N20 MIX
(N2) BY CHROMATOG
900 H2/N20/02 FLAME
13. 423-
( 1.5 ) 1760
900 H2/N20/02 FLAME
1357 H2/N20/02 FLAME
16.3 1260- H2/N20/02 FLAME
( 2.0 ) 1780
16.
15.1 700-
2500
12.0 1700- SHOCK TUBE N20/H2/AR
4000 OH AND NO BY UV ABS
13.53 423-
( 0.73 ) 1800
10.77 400-
2000
16.
78. 1000-
2000
80.3 700-
2500
77.7 700-
2500
R EVALUATION
X REL. TO H+02»HO+0
K/MREF1-0.64 (0.07
X
R EVALUATION
X
X
X
R SUGGESTED VALUE
FLAME TEMPERATURES
R PREFERRED VALUE
EVALUATION
X STRONG DEPENDENCE
ON RATES ASSUMED
FOR OTHER REACTIONS
R SUGGESTED
R RECOMMENDED VALUE
AVERAGE OF D1.D2.F2
R SELECTED (REF F6)
R FROM REVERSE
R PREFERRED VALUE
EVALUATION
FROM REVERSE
R PREFERRED VALUE
FROM REVERSE
NO XPTL DATA
-------
5-107
254. H
REF OIR ORO A B
+ M = HO
T EXPERIMENTAL
+ H
TYP COMMENTS
B85 F
1973
3 18.0 -I.
200-
4000
C EMPIRICAL CORELATION
B88 F
1972
R NO RECOMMENDATION
NO PRECISE DATA
Cl F
1967
3 18.30 -1.0
t 0.70 )
0.
C ESTIMATED BY ANALOGY
WITH H + H + H
Jl F
1967
3 18.6 -1.0
( 1.0 )
0.
1000-
3500
C ESTIMATED BY ANALOGY
J3 F
1967
3 16.63 0. -2.78
1330- STIRRED-FLOW REACTOR X BEST FIT BETWEEN
1560 HZ/ 02 RXN XPTL AND COMPT TEMPS
K3 F
1964
P9 F
1967
3 14.8
0.
3 18.6 -1.0 0.
C ESTIMATED BY ANALOGY
AVG OF H + H + M
AND 0 » 0 + M
R ESTIMATED FROM W21
S30 F 3 15.9 0.
1972 ( 1. I
Tl F 3 18.3 -1.0
1967
1000-
3000
R EVALUATION
APPROX VALUE
LIMITED DATA
C M > ANY
F 3 18.7 -0.5
C ORDER MAGNITUDE EST
M = H20
F 3 17.9 -0.5 0.
C ORDER MAGNITUDE EST
M = H2
F 3 17.54 -0.5
C ORDER MAGNITUDE EST
M « H
F 3 18.7 -0.5
C ORDER MAGNITUDE EST
M = HO
Bll R
1965
2 21.0 -1.5 101.0
R SELECTED (REF 07)
M = XE
885 R
1973
2 21.88 -2. 105.4
200-
4000
C FROM REVERSE
B88 R
1972
R NO RECOMMENDATION
NO EXPERIMENTAL DATA
J3 R
1967
2 16.46 0. 96.37
1330- STIRRED-FLOW REACTOR X BEST FIT BETWEEN
1560 H2/ 02 RXN XPTL AND COMPT TEMPS
K3 R
1964
2 14.15 0.21 101.3
C FROM REVERSE
M « ANY
REVERSE ESTIMATED
-------
5-108
REF OIR ORD
41 F 2
1964
A3 F 2
1961
44 F 2
1962
AS F 2
1965
47 F 2
1965
A17 F 2
1967
81 F 2
1962
81 F 2
1962
86 F 2
1956
B7 F 2
1957
se F 2
1964
811 F 2
1965
F 2
B12 F 2
1963
813 F 2
1965
815 F 2
1966
F 2
F 2
F 2
815 F 2
1966
Rib f 2
1968
851 F 2
1969
871 F 2
1970
660 F 2
1971
F 2
F 2
F 2
255.
A
13.66
13.894
13.59
I 0.16 I
13.920
I 0.053)
12.0
14.06
9.78
14.52
I 0.63 I
9.43
8.82
14.312
I 0.28 )
15.08
I 0.80 I
14.86
1 0.80 1
14.33
I 0.3 I
14.43
1 0.19 )
10.04
10.23
10.41
10.61
14.01
1 0.05 )
14.3
14.35
( 0.3 1
14.097
( 0.094)
14.097
( 0.094)
11.057
11.049
11.049
H * 02
8 C
u. 15.6
1 0.6 I
U. 15.9
I 0.8 )
U. 15.0
I 0.6 I
U. 16.0
( 0.6 I
U. 16. V
U. 16.9
u. 17.6
I 3.0 I
U. 16.49
1 0.70 )
u. 17.8
( 1.0 )
u. 16.9
I 1.0 )
u. 16.6
( 0.8 I
u. 16.6
( 0.8 )
0. 16.6
I 1.2 I
U. 16.7
u. 16.8
I 0.5 )
u. 16.3
( 1.1 I
0. 16.3
I 1.1 I
T
843-
933
843-
933
863-
933
840-
960
1400-
2500
783-
843
813
813-
1500
793
793
300-
2000
300-
600
1500-
1700
300-
2000
300-
2000
900
943
993
1052
900-
1052
1400-
3000
300-
3000
1165-
1420
U50-
1400
1166
1176
1180
HO « 0
EXPERIMENTAL TYP
FIRST 1GN. LIMIT X
CH4/02/H2 MIXTURES
FIRST I6N. LIMIT X
CO/02/H2 MIX
C2H6/CO/02 IGNITION X
FIRST EXPL LIMIT
IGNITION STUDY X
SHOCKED H2/02/AR MIX X
USED INDUCTION TIMES
IGNITION LIMITS X
STATIC VACUUM APP
MGO COATED VESSEL
HZ/02 IGNITION X
CH20 INHIBITED
R
1ST EXPLOSION LIMIT X
H2/02 RXN
KCL COATED VESSEL
H2/02 IGNITION X
R
R
R
R
R
HYDROGEN-OXYGEN X
FLAME * EPR SPECTROM
X
X
X
X
SHOCK TUBE STUDY X
H2/02/AR SYSTEM
R
SHOCK TUBE STUDY X
H2/CO/C02/02/AR MIX
(0) BY C0»0 EMISSION
SHOCK TUBE STUDY X
H2/CO/C02/02/AR MIX
CO FLAME BAND EMISS
X
X
X
COMMENTS
RESULT AVG VALUE
THREE DETERMINATIONS
CONSTRAINED RATES
TO AGREE WITH
LOW TEMP RESULTS
REFERENCED TO
KICH204-H)
COMBINE OWN RESULT
AT 813K WITH
HIGH TEMP RESULTS
EVALUATION BASED ON
SHOCK TUBE, FLAME,
IGN, FLOW STUDIES
SELECTED (REF K4)
SELECTED (REF K4)
EVALUATION
EVALUATION
VALUE OF REF 812
BEST FIT OF ANALYT
AND XPTL DENSITY
PROFILES
EVALUATION
E - ENOOTHERMICITY
-------
5-109
255. H +02
REF 01R ORD A B C
- HO +0
T EXPERIMENTAL
TYP COMMENTS
F 2 11.152
f 2 11.170
1236
F 2 11.272
1246
F 2 11.412
1286
F 2 11.398
1292
F 2 11.377
F 2 11.439
1344
F 2 11.509
F 2 11.496
1393
F 2 11.548
1409
883 F 2 14.30 u.
1969
868 F 2 14.35 u.
1972 I 0.10 I
16.653 1400- SHOCK TUBE STUDY
3000 H2/02/N2/CO/AR MIX
OPT. INTERFEROMETRY
16.8 700-
0.5 I 2500
X BEST FIT TO EXPT
R EVALUATION
893 F 2 14.34 u.
1973 I 0.11 I
02 F 2 10.20
1965
E5 F 2 14.36 u.
1971
F2 F 2 11.18
1959
F4 F 2 11.46
1958
F 2 11.SB
16.8
16.8
700-
2500
915
FLAME STUDY H2/02
(HI BY 020 EXCHANGE
(021 BY MASS SPEC
650- LOW PRESS FLAT FLAME
1000 FUEL-RICH H2/02
1100
1285
1324
FLAME STUDY
(H) BY 020 EXCHANGE
ALSO MASS SPEC PROBE
FLAME STUDY
IH) BY 020 EXCHANGE
ALSO MASS SPEC PROBE
CRITICAL EVALUATION
ACCURATE OVER QUOTED
TEMP RANGE
ASSUMED 02 CONSUMED
BY 02»H AND 02+H+M
X H2f 02, H20, Ht OH
BY MASS SPECi GCi
UV ABSORPT, ESR SPEC
X FOLLOWED 02
ATTRIB TO 02 -I- H
X ASSUMED 02+H MAIN RX
F 2 11.69
1340
F ,2 11.85
1420
F 2 12.00
1500
F 2 14.9
u. 20.0 1285- H2/02 FLAME
I 2.0 I 1500
F5 F 2 14.8
1963
18.
R SELECTED IREF SB)
F6 F 2 14.6
1964
R SUGGESTED VALUE
FLAME TEMPERATURES
F7 F 2 14.34 g. 16.5
1965
300-
1600
R EVALUATION
62 F 2 13.69 u. 17.0 1272- C2H2/02 SHOCK TUBE
1965 2196
63 F 2 13.89 0. 14.45 1290- SHOCK TUBE/H2/02 RX X ACCURACY QUOTED AS
1967 I 0.04 I 1667 CO * 0 CONTINUUM PLUS OR MINUS 10 PCT
FOLLOWED
-------
5-110
REF OIK ORO
255. H * 02
ABC
-HO *0
EXPERIMENTAL TYP COMMENTS
S3 f
1967
G* F
1967
G20 F
197*
HI F
196*
H2 F
1967
Jl F
1967
J3 F
1967
J10 F
1970
K3 F
196*
K* F
1963
F
F
K5 F
1959
K6 F
1958
KB F
1968
K9 F
196*
F
K32 F
1956
K38 F
1968
K*5 F
1970
L2 F
1963
H* F
1968
N3 F
196*
P3 F
1968
P* F
1968
F
R2 F
1966
2 1*.037
2 13.980
2 1*.35
(0.1 I
2 1*.6
2 1*.3
2 1*.3
I 0.2 )
2 14.68
2 13.99
2 14.38
2 15.08
I 0.8 )
2 14.86
( 0.8 1
2 14.28
2 13.72
2 13.75
2 14.228
i 0.0931
2 14.78
2 14.98
2 13.75
2 14.34
2 14.19
( 0.07 )
2 14.82
1 0.16 )
2 12.78
2 12.3
2 14.08
2 14.24
2 14.10
2 14.9
0. 16.06
0. 14.7
I 0.3 1
0. 16.8
0. 18.7
0. 17.
0. 16.5
0. 17.9
0. 15.02
0. 16.75
0. 17.8
I 1.0 1
0. 16.9
I 1.0 )
0.13 17.1
0. 14-9
0. 15.1
0. 16.2
1 0.* )
u. 16.8
u. 15.9
u. 15.1
u. 16.5
u. 16.73
( 0.25 I
0. 17.*
1 0.7 )
0.5 17.75
0.5 0.
u. 16.6
0. 16.6
0. 16.6
0. 17.6
975-
2060
700-
2500
1200-
1800
298-
1*73
1000-
3500
1330-
1560
1200-
1800
300-
1650
300-
600
1500-
1700
300-
2500
733-
873
800-
1000
200-
600
1500-
1700
733-
873
295-
1575
310-
2060
2126-
30*5
1700-
2700
300-
1650
853-
953
853-
953
1*00-
2500
SHOCK TUBE H2/02 RX
CO + 0 CONTINUUM
FOLLOWED
SHOCK TUBE STUDY
H2/02/CO/AR MIXTURES
0 BY CO * 0 RECOMB
INDUCTION TIMES
H2/02 SYST
STIRRED FLOW REACTOR
H2/02/RXN
INCIDENT SHOCK
H2/02/AR MIX
(OH) BY UV ABSORPT
1ST EXPLOSION LIMIT
H2/02 RXN
LOWER EXPLOSION
LIMIT OF HZ/02 MIX
H2/02 IGNITION
FLAME STUDY
SHOCK TUBE STUDY
H2/AR PLUS 02 MIX
STUDY OF H2/02 RXN
STUDY OF H2/02 RXN
SHOCKED H2/02/AR MIX
R FITTED OWN HIGH TEMP
RESULTS AND LOW TEMP
RESULTS OF OTHERS
X ACCURACY QUOTED AS
PLUS OR MINUS 20 PCT
R PREFERRED VALUE
BASED ON REF B88
X ASSUMED RATE
IN CONJUNCTION WITH
COMPLEX MECHANISM
R SELECTED VALUE
R EVALUATION
X BEST FIT BETWEEN
XPTL AND COMPT TEMPS
X
R RECOMMENDED VALUE
R FROM REVERSE
R FROM REVERSE
R FROM REVERSE
ALTERNATE EXPRESSION
R REVIEW OF RADICAL
REACTIONS IN FLAMES
X
X ACCURACY PLUS OR
MINUS 20 PCT
ALSO IN REF K7
R SUGGESTED VALUES
ASSUME REVERSE E
EQUALS ZERO
R
X
R RECOMMENDED IREF FT)
R RECOMMENDED
X
X K(02 PLUS H) FOUND
TO BE RATE DETERMNG
R SUGGESTED
X
X PROPANE ADDED
X BUTANE ADDED
X BEST FIT
-------
5-111
REF OIR
SI F
1967
S4 F
1965
S8 F
195S
S8 F
1958
S14 F
1960
S23 F
1969
S33 F
1972
S37 F
1973
Tl F
1967
T2 F
1965
VI F
1961
W2 F
1965
W44 f
1973
B13 R
1965
B51 R
1969
B61 R
1970
B83 R
1969
888 R
1972
897 R
1973
Cl R
1967
C2 R
1963
C3 R
1963
04 R
1962
025 R
1970
F5 R
1963
620 R
1974
H2 R
1967
255. H +02
QUO A B C
2 14.402 u. 16.79
2 15.000 0. 17.75
2 12.15
2 14.48 0. 17.5
1 3.0 I
2 14.5 0. 17.9
2 13.61 0. 12.3
I 1.0 )
2 14.695 0. 16.80
2 17.086 -0.91 16.63
2 14. i u. 17.
2 14.3 u. 16.6
2 13.98 u. 16.2
( 0.2 )
2 14.34 u. 16.50
2 14.350 u. 16.8
2 13.21 0. 0.2
( 0.24 ) I 0.8 I
2 13.11 u. 0.
( 0.3 ) ( 0.5 I
2 13.41
( 0.11 )
2 12.217 u.27 0.
2 13.36
I 0.16 )
2 11.8 0.5 0.
2 11.51 0.47 0.1
I 0.7 1
2 13.5
( 0.1 )
2 13.5
( 0.15 )
2 12.9
I 0.2 )
2 13.11 u. 0.
2 13.23 0. .1.4
2 13.40 0. 0.
( 0.3 I
2 13.18
T
300-
2500
960-
1080
1650
800-
1650
1000-
2600
1000-
2500
1300-
2500
1250-
2500
300-
1500
293-
1673
300-
3000
300-
1500
298
1400-
3000
300
265+
293
293
310
300-
1500
300-
2000
298
HO + u
EXPERIMENTAL
SHOCK TUBE/H2/02/AR
INDUCTION TIMES
BASED ON OH EMISSION
SHOCK TUBE STUDY
H2/02/AR MIX
SHOCK TUBE H2/02/AR
(OH) BY U.V. ABSORPT
REFLECTED SHOCK
H2/02/CO/AR IGNITION
CO-0 RADIATION
IGNITION DELAY STUDY
SINGLE PULSE SHOCK
CH4/02/H2/AR MIXES
REFLECTED SHOCK IGN
H2/CO/02/AR MIX
END-ON CHEMILUMINESC
FAST FLOW SYSTEM
OH FROM H * N02
OH, NO, 0. H BY ESR
SHOCK TUBE STUDY
H2/02/N2/CO/AR MIX
OPT. INTERFEROMETRY
DISCHARGE FLOW SYST
OH FROM H+N02
(H) (01 BY EMISSION
DISCHARGE FLOW SYST
OH FROM H + N02
(H) (0) BY EMISSION
DISCHARGE FLOW SYST
OH FROM H+N02
0 FROM N»NO
TYP COMMENTS
R RECOMMENDED VALUE
LEAST SQUARE FIT
X SELECTED
X BASED ON KIH2+02) +
KIH2+OH) FROM 07
R COMBINED OHN RESULTS
WITH LOW T RESULTS
X BEST FIT FOR (OH)
X
X
X SUGGEST PREVIOUS
EXPRESSIONS TOO LOW
8 > -0.907
R SELECTED IREF K3)
R RECOMMENDED VALUE
BASED ON B12
R SUGGESTED VALUE
R CRITICAL SURVEY
R BASED ON B51
R FROM REVERSE RX
R FROM REVERSE
ASSUME E * 0
X ROOM TEMPERATURE
X FROM REVERSE
R BASED ON EXPTL DATA
C ESTIMATE
TRANS STATE CORELAT
R SELECTED
X STEADY STATE (0)
ASSUMED
X
X DECAY (OH) BY U.V.
IN PRESENCE AND
ABSENCE OF 0 ATOMS
R EVALUATION
FROM REVERSE
R SUGGESTED VALUE
FROM KI02+H) AND
FROM REVERSE RXN
R PREFERRED VALUE
BASED ON REF M31
R SURVEY
E APPROX ZERO
-------
5-112
255. H + 02
REF OIR ORO ABC
HO +0
EXPERIMENTAL
TYP COMMENTS
J3 R 2 13.525 0.
1967
1.838 1330-
1560
STIRRED-FLOH REACTOR
H2/02 RXN
BEST FIT BETWEEN
XPTL AND COHPT TEMPS
K3 R 2 11.51 0.47 0.1 300-
1964 2000
K4 R 2 13.04
1963 ( 0.13 )
K4 R 2 13.75 0.
1963
( 0.3 )
310
1.0 300-
( 0.5 ) 2000
DISCHARGE FLOW SYST
OH FROM H+N02
(OH) BY U.V. ABSORPT
R RECOMMENDED VALUE
FROM KI02+H) AND
FROM REVERSE RXN
R EVALUATION
ASSUMED E*l KCAL
R 2 11.80 0.5 0.
R EVALUATION
ALTERNATE EXPRESSION
K9 R 2 13.5
1964 ( 0.2 )
L5 R
1964
13.4
300
300
DISCHARGE FLOW SYST
OH FROM H+N02
0 FROM N+NO
(OH) BY U.V. ABSORP
R SUGGESTED
BASED ON K4.C3
SI R
1967
13.094 0.
0.
300-
900
R RECOMMENDED VALUE
FROM REVERSE RXN
S4 R 2 13.790 0.
1965
S33 R 2 13.466 0.
1972
H3 R
1965
W28 R
1970
12.5
2 13.30 0.
I 0.06 )
1.190 960-
1080
0.
1300-
2500
300
228-
340
SHOCK TUBE H2/02/AR
INDUCTION TIMES
BASED ON OH EMISSION
IGNITION DELAY STUDY
SINGLE PULSE SHOCK
CH4/02/H2/AR MIXES
DISCHARGE FLOW SYS1
OH FROM H+N02
H AND 0 BY ESR
STIRRED REACTOR
ESR DETECTION
SELECTED
VALUE APPROX
INDICATE K HAY BE
LOWER THAN PREV EST
W31 R
1972
2 13.40 0.
( 0.3 )
300-
2000
RECOMMENDED
-------
5-113
REF OIR
A21 F
197Z
F
F
F
F
813 F
196S
F
F
F
B16 F
1968
B21 F
1957
822 F
1965
841 F
1970
BSl F
1969
B58 F
1965
F
F
F
883 F
1969
888 F
1972
F
F
F
F
F
F
C2 F
1963
256. H -fQ2
ORO ABC
3 15.64
1 0.03 )
3 15.60
1 0.04 )
3 15.43
1 0.02 )
3 15.34
I 0.03 )
3 14.74
I 0.08 )
3 16.05 0. -1.6
I 0.15 1 I 0.7 I
3 15.24 0. -1.6
I 0.15 1 I 0.7 )
3 14.79 0. -1.6
( 0.15 1 ( 0.7 )
3 15.12 0. -0.6
1 0.15 ) ( 0.7 )
3 18.51 -l.u u.
3 17.80 u. u.
3 14.56 u. u.
3 15.48 0. u.
( 0.16 I
3 15.20 u. -1.0
( 0.3 ) ( 1.0 )
3 15.20 u. -3.3
3 15.08 u. -2.5
3 16.02 0. -3.5
3 14.86 0. -3.5
3 18.51 -1.0 0.
3 15.70 0. 1.0
( 0.10 ) I 0.5 )
3 16.51 0. 1.0
( 0.10 1 I 0.5 )
3 15.88 g. 1.0
I 0.10 I I 0.5 I
3 15.30 u. 1.0
( 0.10 1 I 0.5 )
3 15.30 0. 1.0
1 0.10 1 ( 0.5 1
3 15.18 0. 1.0
( 0.10 I ( 0.5 1
3 15.18 -0. 1.0
( 0.10 ) 1 0.5 )
3 16.08
( 0.10 )
* n
T
300
300
300
300
300
300-
3000
300-
3000
300-
3000
300-
3000
1400-
3000
293-
319
600-
800
1435-
1868
300-
2000
1000-
1130
1000-
1130
1000-
1130
1000-
1130
1400-
3000
300-
2000
300-
2000
300-
2000
300-
2000
300-
2000
300-
2000
300-
2000
293
H02 » M
EXPERIMENTAL
STATIC REACTOR
HG PHOTOSENS OISSN H
(H) BY LYHAN ALPHA
SHOCK TUBE STUDY
H2/02/AR MIXTURES
DENSITY PROFILES
HG PHOTO H2/02 RX
FLAME STUDY
SHOCK INITIATED
COMBUST. DILUTE
H2/02/AR MIX
LOW PRESS FLAT FLAME
LOW PRESS FLAT FLAME
LOW PRESS FLAT FLAHE
LOW PRESS FLAT FLAME
SHOCK TUBE STUDY
H2/02/N2/CO/AR MIX
OPT. INTERFEROMETRY
DISCHARGE FLOW SYST
TYP COMMENTS
X H H2
ROOM TEMPERATURE
DISCUSS ENERGY TRANS
X M - KR
X M HE
X M - AR
X M > NE
R EVALUATION 19 REFS)
M . H20
R EVALUATION
H H2. 3RD BODY EFF
RELATIVE TO M > H20
R EVALUATION
M - N2> 3RD BODY EFF
RELATIVE TO M - H20
R EVALUATION
H - 02. 3RD BODY EFF
RELATIVE TO M > H20
X M - AR
X M - H2
X BEST FIT EXPTL DATA
OPTIMIZE H +02.
H2 + 0, H + 02 + M
X M » AR
R EVALUATION
INERT THIRD BODY
X M - H2
X H - 02
X M - H20
X M - N2
X M AR
BEST FIT TO EXPT
R EVALUATION
M H2
R M * H20
R M - C02
R M - 02
R M N2
R M AR
R M HE
X RX SHOWN TO BE
THIRD ORDER
-------
256. H » 02
5-114
REF oia
C5 F
1963
f
e
t
F
C5 F
1963
DID F
1966
019 F
1969
F
F13 F
1965
F
64 F
1967
64 F
1967
65 F
1965
65 F
1965
G5 F
1965
06 F
1969
F
F
G6 F
1969
620 f
1974
F
F
H2 F
1967
F
F
F
ORD A 8
3 16.10
( 0.04 I
3 16.16
I 0.03 )
3 15.90
{ 0.04 I
3 15.88
I 0.04 I
3 17.28
I 0.15 1
3 14.67 0.
3 15.9
3 16.35
I 0.11 I
3 15.79
1 0.11 )
3 17.0 u.
1 0.1 1
3 16.9
3 15.52
( 0.11 I
3 15.301 u.
3 15.152
! 0.068)
3 16.63
3 14.93 u.
3 15.34
I 0.06 )
3 15.32
3 16.73
I 0.04 i
3 15.63
3 15.39 0.
I 0.07 )
3 15.88 u.
1 0.07 1
3 16.78 u.
I 0.07 )
3 16.6 u.
3 15.8 0.
3 15.3 0.
3 20.66 -2.
C T
225
244
293
293
293
1.6 250-
( 0.7 ) 800
1528
293
293
u. 1000-
1350
750
1100
-0.87
I 0.07 )
1500
1500
-1.28 225-
I 0.09 ) 1850
1500-
1500-
1500-
1500
-O.S8 203-
404
-0.58 203-
404
-O.SB 203-
404
0. 753-
843
0. 723-
923
0. 633-
843
0. 253-
798
EXPERIMENTAL TYP
DISCHARGE FLOW SYST X
X
X
X
K
X
ATM PRESS FLAME X
HICROPROBE-MASS SPEC
MASS SPEC ZONING OF X
DIFFUSION CLOUD
X
FLAME STUDY X
H2 LEAN
FLAME STUDY X
H2 RICH
SHOCK TUBE STUDY X
H2/02/CO/AR MIXTURES
0 BY CO * 0 RECOMB
R
SHOCK TUBESTUDY X
LEAN H2/02/AR MIX
OH BY UV ABSORPTION
SHOCK TUBESTUDY X
LEAN H2/02/AR MIX
OH BY UV ABSORPTION
R
SHOCK TUBESTUDY X
LEAN H2/02/H20/AR
OH BY UV ABSORPTION
X
X
X
R
*
R
R
R
R
R
COMMENTS
M AR
M - AR
M AR
M > HE
M » H20
M AR
RESULTS COMBINED M/
EXPLOSION LIMIT
RESULT SENSITIVE
TO CALIB ERRORS
H H20
M - HE
M H2
ASSUME EFFICIENCY
0.36 REL TO HE
ASSUMED H REMOVED BY
02 » H » M
H H20
M > AR
FITTED ONN RESULTS
WITH RESULTS
OF OTHERS
STUDIED 1150 - 18SOK
MEAN VALUE AT 1500K
M AR
OBTAINED FROM EST
OF KIH20I/KIAR)
FITTED OWN HIGH TEMP
RESULTS AND LOW TEMP
RESULTS OF OTHERS
M « AR
M N2
M H20
M 02
UPPER LIMIT
M * AR, HE
PREFERRED VALUE
EVALUATION
M N2, 02
M H20
SELECTED VALUES
M > H20
M H2
H N2, 02
M AR
-------
5-115
H6 F
1957
Jl f
1967
K3 F
1964
K45 F
1970
F
F
K46 F
1972
F
F
F
F
F
L5 F
1964
N3 F
1964
P13 F
1973
SI F
1967
F
S4 F
1965
S33 F
197Z
Tl F
1967
TZ F
196S
T2 F
1965
VI F
1961
V2 F
1939
W44 F
1973
BZ4 R
1965
B51 R
1969
3 IS. 71 0. -4.0
3 19.0 -1.0 0.
I 0.7 )
3 16.5 0. 0.
3 19.09 -1.24 0.
( 0.51 )
3 IS. SO u. -1.89
1 0.10 I ( 0.21 )
3 22.03 -2. OB 0.
I 0.47 I
3 16.950
3 15.755
3 15.755
3 15.383 0. -0.473
1 0.07 1 ( 0.092)
3 16.286
3 16.499
3 16.130
3 15.08 0. -l.o
3 16.049
3 15.040 u. -1.22
3 19.175 -1.29 0.
3 15.916 u. 0.
3 14.982 u. -1.00
3 15.0 -0.5 0.
3 15.3 0. -2.0
3 21.7 -2.0 0.
3 15.63 U. 0.
3 1Z.91
3 16. 0. u.
Z 22.722 -2.0 50.0
2 15.38 0. 45.9
( 0.3 I I 1.0 1
293-
793
1000-
3500
293-
1500
293-
813
293-
813
298
298
298
203-
404
298
226
293
1900
225-
1500
225-
1500
960-
1080
1300-
2500
297
300-
2000
FLASH PHOTOLYSIS-
RESONANCE FLUORESC
DISCHARGE FLOM SYST
H DECAY CALORIMETRIC
PROBE
CH4/02 FLAME 40 TORR
HOLEC BEAM SAMPLING
SHOCK TUBE HZ/OZ/AR
INDUCTION TIMES
BASED ON OH EMISSION
IGNITION DELAY STUDY
SINGLE PULSE SHOCK
CH4/OZ/HZ/AR MIXES
HG PHOTO H2/OZ RX
R SUGGESTED VALUE
R EVALUATION
M ANY
R ESTIMATED BASED ON
XPTL DATA
R SUGGESTED
M AR
R SUGGESTED
M - H2
R SUGGESTED
M ' H2
ALTERNATE EXPRESSION
X M > CH4
X M - AR
X M > HE
X M * HE
X M - N2
X M N2
X M - AR
ASSUMED EFFIC. OF N2
AND 02 ARE TWICE AR
R SUGGESTED
X BASED ON RADICAL
POOL DECAY
R M - AR
LEAST SQUARES FIT
R M - AR
LEAST SQUARES FIT
ALTERNATE EXPRESSION
X M - AR
IMPORT AT LOW TEMP
BEST FIT
X M AR 23 RX MECH
LIT RATES VARIED
WITHIN ERROR LIMITS
C ORDER MAGNITUDE EST
R RECOMMENDED VALUE
BASED ON ROOM TEMP
DISCHARGE FLOW EXPTS
R ALTERNATE EXPRESSION
R SUGGESTED VALUE
DEPENDS ON VALUE FOR
K(02»H)
X FROM DATA OF REF F26
M H2
R BASED ON XPTL DATA
LARGE SCATTER
R SELECTED VALUE
BASED ON REF S1Z
R FROM REVERSE
INERT THIRD BODY
-------
5-116
REF DIR ORO
B83 R 2
1969
B88 R 2
1972
K3 R 2
1964
111 R 2
1971
Life R 2
1974
S4 R 2
1965
S33 R 2
1972
256. H
A B
18.605 -0.93
15.32 0.
( 0.10 ) (
16.0 0.21
15.38 0.
( 0.5 )
15.32 0.
( 0.18 )
20.004 -1.
15.158 0.
* 02 + M
C T
45.920 1400-
3000
45.9 300-
0.5 ) 2000
45.92
45.0 300-
1000
46.0 300-
2000
50.00 960-
1080
45.90 1300-
2500
= H02 + H
EXPERIMENTAL TYP
SHOCK TUBE STUDY X
H2/02/N2/CO/AR MIX
OPT. INTERFEROMETRY
R
R
EFFIC-H2=l.,H20-6.5t R
C02»1.5t02*0.4.
N2=0.4,AR=0.2fHE=0.2
R
SHOCK TUBE H2/02/AR X
INDUCTION TINES
BASED OH OH EMISSION
IGNITION DELAY STUDY X
SINGLE PULSE SHOCK
COMMENTS
M - AR
FROM REVERSE
RECOMMENDED FROM
NO DIRECT DATA
M > HE, AR
FROM REVERSE RX
M » H2
FROM REVERSE
M = AR, HE
RECOMMENDED
REV
M ° AR
IMPORT AT LOW TEMP
BEST FIT
M = AR 23 RX
LIT RATES VARIED
MECH
CH4/02/H2/AR MIXES
WITHIN ERROR LIMITS
-------
5-117
257.
REF 01R ORD
D8 F 2 1*.
1963
HN + HN
C T
2000
H2 + N2
EXPERIMENTAL
SHOCK TUBE STUDY
DECOHP N2H4
TYP COMMENTS
X ORDER MAGNITUDE EST
258.
REF DIR ORD
-HZ * N20
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
259.
HN t HNO
REF DIR ORD
« H20 ! N2
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
260.
REF DIR ORD
-HZ * NO
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
-------
5-118
261. MN * HO * H20 * N
REF DIR ORO ABC T EXPERIMENTAL TYP COMMENTS
M2B F 2 12.20 0.56 1.5 C JOHNSTON-PARR CALC
1966
Tl F 2 11.> 0.5 2. C ORDER MAGNITUDE EST
1967
262. HN » H02 - HNO + HO
R6F OIR ORD A 6 C T EXPERIMENTAL TVP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
263. HN * H02 - H2 * H02
REF DIR ORD A B C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
264. HN » H02 H20 * NO
RFF OIR ORO ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
265.
REF DIR ORD
H20
5-119
HNO + H2
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
266. HN * NO
REF OIR ORO A B C
Tl R 2 ll.o 0.5 2.
1967
> HNO * N
EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
267.
REF OIR ORD
HO * N2
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
268.
REF OIR ORO
Tl F 2 11.3
1967
0.5
HNO * NO
T EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
-------
269.
N02
REF OIK ORD
270.
REF DIR URD
5-120
-HO » N20
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
- H02 * N2
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
TYP COMMENTS
271.
REF OIR ORD A
Tl f 2 11.0
1967
C
3.
> HNO * N2
EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
REF DIR ORO
Tl F 3
1967
272.
A
16.0
HN » 0
C
> HNO
EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
-------
5-121
273. HN » 0
REF OIK ORD A B C
B97 f 2 11.B U.5 D.
1973
MS F 2 12.00 O.S u.l
1968
Tl F 2 12.92 0.7 0.1
1967
MS R 2 11.99 O.S 18.3
1968
HO + N
EXPERIMENTAL
TYf> COMMENTS
C ESTIMATE
TRANS STATE CORELAT
C BOND ENERGY-BONO
ORDER
C JOHNSTON-PARR CALC
C BONO ENERGY-BONO
ORDER
27*. HN + 02
REF DIR ORD ABC
Tl R 2 11.0 O.S
1967
- HNO * 0
T EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
REF OIR ORD
275.
HN + 02
» HO » NO
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
276.
02
REF DIR ORD A
K25 R 2 11.
1963
' H02 * N
EXPERIMENTAL
TYP COMMENTS
300 FLOW-DISCHARGE SYST X LOWER LIMIT
N2/H20 THROUGH DISCH
02 ADDED DOWNSTREAM
-------
5-122
277.
REF DIR ORD A
Tl R 3 15.0
1967
HNO
B C
-0.5 0.
+ M = HO + N + H
T EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
278.
HNO + HNO
REF DIR ORD
H20 « N20
EXPERIMENTAL
dO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
279.
HNO + HO
REF DIR ORD
H2 + N02
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
-------
5-123
REF DIR
B46 F
1964
890 F
1973
C20 F
197*
G21 f
1973
H31 F
1972
H39 F
1968
N6 F
1964
Tl F
1967
B90 R
1973
S20 R
1974
G21 R
1973
280. HNO » HO
ORO ABC
2 13.96 0. 0.
i 0.13 I
2 13.56
( 0.3 1
2 13.6
I 0.2 1
2 13.6
( 0.2 1
2 13.96 u. 0.
I 0.12 1
2 13.56
1 0.12 )
2 12.5 U.3 2.4
2 11.3 0.5 <.
2
2 6.38
I 0.2 I
2 6.3
I 0.2 )
H20 * NO
T EXPERIMENTAL
1600- H2/02/NO FLAME
2000
2000
2000
2000
1600-
2000
2000 H2/02/N2 FLAME
NO ADDED
2000
2000
TYP COMMENTS
R APPROXIMATE
BASED ON DATA OF H39
R PREFERRED VALUE
EVALUATION
R PREFERRED VALUE
EVALUATION
R PREFERRED VALUE
X HNO ASSUMED
EQUILIB M/ H AND NO
R SUGGESTED
BASED ON XPTL DATA
R NO RECOMMENDATION
NO DATA
R PREFERRED VALUE
FROM REVERSE
NO DATA
R PREFERRED VALUE
FROM REVERSE
281.
.HNO « H02
REF OIR ORD
« H20 * N02
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
REF DIR ORO
HO + N2
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
5-124
REF OIK ORD
H23 F 2
1969
12.3
( 0.3 )
HNO * NO
26.0
I 5.0
HO * N20
EXPERIMENTAL
1073-
1333
TYP COMMENTS
R EVALUATION
REEXAMINATION OF
EXISTING H2-NO DATA
284.
HNO * NO
REF DIR ORO
285.
HNO + N02
REF OIR ORO
* H02 » N2
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
- H02 * N20
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
TYP COMMENTS
REF DIR ORO
Tl F 2 11.70
1967
286. HNO + 0
ABC
u.y 0.
-HO » NO
EXPERIMENTAL
TYP COMMENTS
C ORDER MAGNITUDE EST
-------
5-125
287. HNO + 0 H02 + N
REF OIR ORD A E C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
288. HNO +02 HO + N02
REF OIR ORD ABC T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
289. HNO +02 a H02 + NO
REF DIR ORD A B C T EXPERIMENTAL TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT tHIS TIME
-------
5-126
REF OIR ORD
B13 F 2
1965
B88 F 2
197?
Cl F 2
1967
025 F 2
1970
S4 F 2
1965
A7 R 2
1965
Bll R 2
1965
B13 R 2
1965
888 R 2
1972
J8 R 2
1971
R2 R 2
1966
S4 R 2
1965
S34 R 2
1973
Tl R 2
1967
290. HO
A B
12.08 0.
13.15 -0.02
( 1.4 )
12.08 0.
12.848 0.
11.0 0.
14.398 0.
13.62 0.
12.40 0.
( 1.0 )
13.230 0.
( 0.5 )
12.4 0.
14.398 0.
13.134 0.
14.0 0.
+ HO
C
26.33
49.264
26.33
48.60
70.0
67.0
45.0
38.9
48.15
39.0
67.00
48.15
70.
T
300-
3000
300-
3000
960-
1080
1400-
2500
300-
3000
1400-
2500
1200-
1800
1400-
2500
960-
1080
1300-
2500
« H2 +02
EXPERIMENTAL
SHOCK TUBE H2/02/AR
INDUCTION TIMES
BASED ON OH EMISSION
SHOCKED H2/02/AR MIX
USED INDUCTION TIMES
INCIDENT SHOCK
H2/02/AR MIX
(OH) BY UV ABSORPT
SHOCKED H2/02/AR MIX
SHOCK TUBE H2/02/AR
INDUCTION TIMES
BASED ON OH EMISSION
TVP COMMENTS
R FROM REVERSE RX
R NO EXPERIMENTAL DATA
NO RECOMMENDATION
R FROM REVERSE RX
B =-0.015
R EVALUATION
FROM REVERSE
ATTRIBUTE TO REF B13
X BEST FIT
CONSTRAINED RATES
TO AGREE WITH
LOW TEMPRESULTS
SELECTED (REF S12)
SELECTED
VALUE OF REF R2
PROBABLY VALID
NO RECOMMENDATION
INDUCTION TIMES AND
EXPONENTIAL GROWTH
BEST FIT
BEST FIT
ALTERNATE INIT STEP
FOR IGNITION STUDY
IN REF S33
BASED ON REF D7 + F9
-------
5-127
REF OtR
613 f
1965
B50 F
196B
B61 F
1970
BB8 F
1972
Cl F
1967
04 F
1962
05 F
1966
02S F
1970
G20 F
197*
G22 F
1973
H2 F
1967
Jl F
1967
J3 F
1967
K3 F
196*
K* F
1963
F
K9 F
196*
K18 F
1961
15 F
196*
N2B F
1966
N3 F
196*
R12 F
197*
HI 2 F
197*
F
SI F
1967
S* f
1965
S33 F
1972
291.
ORO A
2 12.50
1 0.17 I
2 12.76
; o.*s i
2 11.70
( 0.12 1
2 12.80
( 0.20 I
2 13.028
1 1.0 I
2 11.88
I 0.09 1
2 12.190
( 0. 032)
2 12.760
2 12.78
( 0.2 )
2 13.7*
( 0.10 I
2 12.88
2 12.8
; 0.7 )
2 13.06
2 12.88
2 11.88
( 0.10 1
2 12.58
( 0.3 )
2 11.93
I 0.07 )
2 11. S
2 12. 5
2 11.81
2 12. *8
2 13.7*
2 0.23
2 9.33
2 12.920
2 I*. 869
2 12.763
HO » (TO
b C
0. 0.95
1 0.20 )
0. 0.78
I 0.5 )
0. 1.10
1 O.*0 )
-0.01 0.967
u. 0.78
u. 1.1
u. 7.0
U. 1.
U. 1.0
U. 1.0
U. 1.0
1 0.5 1
0.55 l.»
0.5 2.0
0. 6.9
Z.03 -1.19
1.11 D.
U. L.U
0. 3.820
0-. 0.780
T
300-
3000
300-
3000
298
300-
2000
300-
3000
310
300
300-
3000
300-
2000
1200-
2SOO
298
1000-
3500
1330-
1560
310
300-
2000
300
298
300
1500-
2500
300-
3000
300-
3000
960-
1080
1300-
2500
H20 » 0
EXPERIMENTAL
FAST FLOW SYSTEM
OH FROM H » N02
OH, NO, 0, H BY ESR
DISCHARGE FLOW SYST
OH FROM H«N02
(OH) BY U.V. ABSORPT
DISCHARGE FLOW SYST
OH FROM H+N02
(OH) BY ESR
SHOCK-INIT COMBUST.
H2/02/CO/C02/AR MIX
STIRRED-FLOM REACTOR
H2/02 RXN
DISCHARGE FLOW SYST
OH FROM H*N02
(OH) BY U.V. (.BSORPT
DISCHARGE FLOU SYST
OH FROM H+NQ2
(OH) BY U.V. ABSORPT
DISCHARGE FLOH SYST
OH FROM H»N02
(OH) BY U.V. ABSORPT
SHOCK TUBE STUDY
H2/02/OILUENT MIX
SHOCK TUBE H2/02/AR
INDUCTION TIMES
BASED ON OH EMISSION
IGNITION DELAY STUDY
SINGLE PULSE SHOCK
CH*/02/H2/AR MIXES
TYP
R
R
X
R
R
X
X
It
R
X
R
R
X
R
X
R
X
X
R
C
R
X
R
R
R
X
X
COMMENTS
EVALUATION
FROM REVERSE
CAUTION RECOMMENDED
ROOM TEMPERATURE
EVALUATION
FROM REVERSE Rx
B 0.013*
EVALUATION
PREFERRED VALUE
BASED ON REF 888
DISCUSS POSSIBLE
NONLINEAR ARRHENIUS
SURVEY
E APPROX 1 KCAL/MOLE
SELECTED (REF K*l
BEST FIT BETWEEN
XPTL AND COMPT TEMPS
EVALUATION
ASSUMED E'l KCAL/MOL
TEMP APPROX
PRELIM REPORT OF
THIS SYSTEM
TEMP APPROX
SUGGESTED
BASED ON K*
JOHNSTON-PARR CALC
SUGGESTED
RESULT DOES NOT
EXTRAPOLATE TO
ROOM TEMP DATA
ALTERNATE EXPRESSION
NON-LINEAR LEAST SQ
ALTERNATE EXPRESSION
LEAST SQUARES WITH
ACT IV ENERGY - 0
RECOMMENDED VALUE
BASED ON REF OS
AND ACT ENERGY 1.0
SELECTED
23 RX MECHANISM
LIT RATES VARIED
WITHIN ERROR LIMITS
-------
5-128
REF DIR ORO
Ml F Z
1968
M3 F Z
1965
Wll F 2
1967
R31 F 2
1972
U39 F 2
1973
A19 R 2
1971
82+ R 2
1965
B13 R 2
1965
B50 R 2
1968
BBS R 2
1972
F7 R 2
1965
G20 R 2
197*
J3 R 2
1967
K3 R 2
1964
K4 R 2
1963
K45 R 2
1970
KB R Z
1967
H9 R 2
1968
291. HO » HO
ABC
12.190
( 0.0771
12.08
( 0.1 I
12.097
I 0.017}
12.190
( 0.5 )
12.15
( 0.06 )
13.6 u. 17.3
1 O.S )
13.92 u. 18.0
1 0.80 I I 1.0 I
13.62 0. 18.0
1 0.15 I ( 0.2 )
13.76 0. 18.0
( 0.45 ) ( 0.5 )
13.83 0. 18.35
I 0.20 ) ( 0.40 I
13.62 0. 18.
13.82 0. 18.4
( 0.2 1
14.10 U. 18.1
13.84 U. 17.75
13.62 u. 18.1
( 0.8 1 ( 1.0 >
13.94 0. 18.46
I 0.19 ) ( 0.36 )
11.52 0.67 17.4
0.0
T
300
300
300
300
300
753-
1045
300-
3000
300-
3000
300-
2000
300-
2000
1330-
1560
300-
2000
300-
2000
300-
3500
1000-
4000
300
H20 * 0
EXPERIMENTAL TYP
R
DISCHARGE FLOW SYST X
OH FROM H+N02
(OH) BY ESR
DISCHARGE FLOW SYST X
OH FROM H+N02
MASS SPEC
R
FAST FLOW REACTOR X
ESR DETECTION
OH BY N02 » H
DISCHARGE FLOW SYST X
ESR-MASS SPEC
R
R
R
R
R
R
STIRRED-FLOH REACTOR X
H2/02 RXN
R
R
R
C
C
COMMENTS
EVALUATION
A 12.19 ALSO FITS
EVALUATION
ACCOUNT FOR OH LOSS
ON MALLS
SELECTED (REF K4)
EVALUATION
FROM REVERSE AT 300K
AND E FROM REF VI
CAUTION RECOMMENDED
EVALUATION
FROM REVERSE
BASED ON K4
PREFERRED VALUE
BASED ON B88
BEST FIT BETMEEN
XPTL AND COMPT TEMPS
EVALUATION
SUGGESTED
JOHNSTON-PARR CALC
JOHNSTON PARR CALC
10.0
1000
Mil R 2 13.84 u.
1965
17.75
1500- CO OXIDATION
3300 SHOCKED CO-02-AR MIX
X SELECTED (REF K3I
SI R 2 13.93 0.
1967
18.0
300-
900
R FROM REVERSE
BASED ON REFS VI,D5
S4 R 2 15.881 0. 20.84 960-
1965 1080
S33 R 2 13.763 0. 18.00 1300-
1972 2500
Tl R 2 13.62 u. 18. 300-
1967 3000
SHOCK TUBE H2/02/AR
INDUCTION TIMES
BASED ON OH EMISSION
IGNITION DELAY STUDY
SINGLE PULSE SHOCK
CH4/02/H2/AR MIXES
X SELECTED
X 23 RX MECHANISM
LIT RATES VARIED
HITHIN ERROR LIMITS
R SELECTED (REF F7)
Ml R 2 0.31
1968
300
R FROM REVERSE
-------
5-129
292.
HO
H02
REF DIR ORD
H20 t 02
EXPERIMENTAL
TYP COMMENTS
B88 F
1972
G20 F
1974
H37 F
1972
Jl F
1967
Lll F
1971
L16 F
1974
N3 F
1964
P13 F
1973
B88 R
1972
2 12.8
2 13.6
( 0.5 )
2 14.08
( 0.07 I
2 13.1 u.
( 1.7 1
2 13.0 u.
( 1.0 )
2 13.7 0.
( 0.3 I
2 11.96 0.5
2 13.7 0.
2
300
300
298
u. 1000-
3500
i.o 300-
1000
1.0 300-
1000
0.
0. 1400-
1800
R
R
FLASH PHOTOLYSIS H20 X
IN H2tHEtOR AR
WITH 2 PCT 02
C
R
R
R
CH4/02 FLAME 40 TORR X
MOLEC BEAM SAMPLING
R
REASONABLE LOWER LIM
NO RECOMMENDATION
PREFERRED VALUE
EVALUATION
CONSIDER WHOLE RANGE
RESULT INDICATES
UNIT COLLISION EFF1C
ESTIMATED BY ANALOGY
W/ H + H02 H2 » 02
EVALUATION
E ESTIMATED
RECOMMENDED
EVALUATION
EST ACTIVAT. ENERGY
SELECTED
APPROXIMATE
ASSUMED EQUAL TO
H02 » 0 » HO + H02
NO RECOMMENDATION
NO DATA AVAILABLE
REF DIR ORO
293.
HO
H20
H02 * H2
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
REF DIR ORD
294.
HO
'NO
H02 * N
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
-------
5-130
REF OIR DRD
295. HO * N02
» B C
« H02 + NO
T EXPERIMENTAL
TYP COMMENTS
890 R 2
1973
R NO RECOMMENDATION
ESTIMATES VARY
S20 R
197*
2 11.08
( 0.5 )
300
R PREFERRED VALUE
EVALUATION
Lll R
1971
2 9.0
( 1.0 )
300
R EVALUATION
VALUE APPROXIMATE
L16 R
1974
M6 R
196*
2 11.0
I 0.3 )
12.3
0.5
2.4
300
R RECOMMENDED
RELATIVE TO
H02+H02=H202+02
R SUGGESTED
RfF DIR ORD
296.
HO
N20
H02 + N2
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
REF DIR ORD
B24 F 3 17.08
1965
297. HO + 0 + M » H02
B C T EXPERIMENTAL
300
f M
TYP COMMENTS
R SELECTED
M = 02, AR
f 3 16.7
300
R SELECTED
M » 02
885 F
1973
3 20.2
-1.5
200-
4000
C EMPIRICAL CORELATION
888 F
1972
R NO RECOMMENDATION
NO VALID DATA
B88 R
1972
R NO RECOMMENDATION
NEVER OBSERVED
-------
5-131
REF DIR
B24 It
1465
Jl «
1967
K43 It
1960
Lll R
1971
116 R
197*
It R
196*
P13 It
1973
298. HO » 02
ORO * B C
2 9.7
2 12. S u. g.
1 2.0 )
2 9.7
2 13.7 0. i.u
1 1.0 1
2 13.7 0. 1.0
< 0.3 I
2 11.96 0.5 0.
2 13.7 0. 0.
T
300
1000-
3500
300
300-
1000
300
1400-
1800
H02 » 0
EXPERIMENTAL TYP COMMENTS
R SELECTED
C ESTIMATED BY
H/ H * H02 -
STATIC DISCHARGE X
H20 ADDED TO 02
NO » 0 AFTERGLOW
R EVALUATION
E ESTIMATED
R RECOMMENDED
EVALUATION
EST ACTIVAT.
R SUGGESTED
CHW02 FLAME 40 TORR X APPROXIMATE
MOLEC BEAM SAMPLING ASSUMED EQUAL
ANALOGY
H2 » 02
ENERGY
TO
HO » H02 H20 » 02
REF DIR ORO
H2 * NO
C
- H20 * N
EXPERIMENTAL
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
TYP COMMENTS
REF OIR ORO A
C21 F 2 3.220
1939
F 2 3.350
F 2 3.458
F 2 3.587
F 2 3.648
H2 * N02 H20 * NO
C T EXPERIMENTAL TYP COMMENTS
657 THERMAL RX H2/02/N02 X
670 *
-------
5-132
301.
H2 + N20
H20 + N2
REF DIR ORD
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
302.
H2 +0
H20
+ M
REF DIR ORD
EXPERIMENTAL
TVP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
303.
REF DIR ORD
H2 + 02
B C
* H20 + 0
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
-------
5-133
304.
REF OIR ORD
N * H
« N2
EXPERIMENTAL
IYP COMMENTS
A13 F 3 19.89 -1.5
1961
It M N2
AVERAGE LIT VALUE
F 3 20.59 -1.5
R M » N
AVERAGE LIT VALUE
F 3 19.29 -1.5
R M - 02,0,NO
AVERAGE LIT VALUE
A18 F 3 19.92 -1.6 0.
1968 I 0.04 )
8000- SHOCK TUBE N2/AR MIX X FROM REVERSE
15000 VACUUM UV FOR N2 M AR
F 3 20.35 -1.6
I 0.10 )
8000-
15000
X M - N2
F 3 20.99 -1.6 0.
I 0.14 )
8000-
15000
A20 F 3 15.81
1962
I 0.12 )
6400 SHOCK TUBE STUDY
B19 F 3 18.3 -1.0
1963 ( 0.4 )
R M - N2
F 3 18.8
( 0.5 )
F 3 18.0
I 1.0 )
R H ANY
627 F 3 18.3 -1.0
1965 ( 0.5 )
R H > N2
F 3 18.3 -1.0
I 1.0 I
R M ' N
F 3 18.0 -1.0
I 1.0 )
It M ANY
B34 F 3 16.78 -0.5
1961
R M > N2
F 3 17.5 -0.5
F 3 16.60 -0.5
R M - ARtOi02
837 F 3 18.3 -1.0 0.
1964 { 0.5 I
R M N2
F 3 18.9 -1.0 0.
( 0.5 I
F 3 18.0 -1.0 0.
I 0.5 I
R M - ALL OTHER
838 F 3 17.45 -0.75 a.
1969 ( 0.5 I
R M - N2
F 3 21.22 -l.» u.
I 0.6 )
R M - N
F 3 17.20 -0.82 0.
I 0.5 I
R H 02,0,NO,AR
862 F 3 15.28
1969
298 STATIC DISCHARGE X ROOH TEMPERATURE
N FOLLOWED AT 5800A M - N2, *R
F 3 15.32
298
X M HE
F 3 15.40
298
X M - C02
890 F 3 14.48 U.
1973 I 0.10 I
-0.99 100-
( 0.1 I 600
R EVALUATION
H N2
Cl F ) 18.0 -1.0
1967 ( 1.0 I
It SELECTED (REF B19)
M - ANY
-------
5-134
KEF OIR ORO
304. N
A 6
EXPERIMENTAL
TYP COMMENTS
C14 F
1966
3 15.70
I 0.03 I
3 15.41
I 0.08 )
196 DISCHARGE-FLOH SYST X M C02
C02 OR N20 ADDED
TO ACTIVE NITROGEN
298
X M - C02
F 3 15.56
I O.OS I
X M > N20
F 3 15.3*
I 0.06 I
X M N20
C16 F 3 15.57
1968
I 0.09 I
298 N2 OISCH-FLOM SYST X n « H20
METHOD AS IN REF CIS
F 3
15.53
I 0.05 )
196
X H « C02
F 3 15.46
I 0.06 I
X M > N20
C29 F
1965
3 15.140
293 DISCHARGE-FLOW SYST X M - N2
NITROGEN AFTERGLOW
F 3 15.238
293
X M AR
F 3 15.283
293
X M > HE
016 F 3 14.5 Q.
1959
SHOCK TUBE
DISSOC OF AIR
X SELECTED VALUE
COMPARED WITH EXPT
E6 F 3 15.62
1966 ( 0.037)
298
STATIC AND FLOW SYST
IN) BY ESR
X M N2
G20 f 3 14.48 U. -1. 100-
1974 I 0.2 ) 600
G21 F 3 14.48 U. -1.0 100-
1973 ( 0.2 ) 600
H2 f 3 lj.7 u. 0. 673-
1967 6773
R M N2
PREFERRED VALUE
EVALUATION
R M N2
PREFERRED VALUE
EVALUATION
R SURVEY
M > N
f 3 15.3 u.
298-
723
R M - N2
H3S F 3 15.46 u.
1959
f 3 It.IS u.
195-
450
195-
450
DISCHARGE-FLOW SYST
(N) BY NO TITRATION
NO BY MASS SPEC
X M ' N2
X M > AR
F 3 14.61 0.
195-
450
X M - HE
H36 F 3 15.795
1958 I 0.041)
K25 F 3 14.69
1963
298 DISCHARGE-FLOW SYST
INI BY NO TITRATION
COLORLESS ENDPOINT
X PI N2i AR
300 N2 DISCH-FLOM SYST X M » N2
F 3 14.92
350 N2 STATIC DISCH SYST X H - N2
M23 F 3 15.43
1962 I 0.08 )
300 DISCHARGE-FLOW SYST X M H2
ESR ATOM DETECTION
51 F 3 15.43
1967
X17 F 3 20.9 -l.a
1960
300 R MEAN VALUE
H > N2
T OEP -0.7 TO 6400K
4500- SHOCK TUBE N2/02 MIX X BEST FIT TO XPT DATA
7500 M « N
F 3 20.2 -1.3
4500-
7500
X BEST FIT TO XPT DATA
M N2
F 3 19.7 -1.5
4500-
7500
X BEST FIT TO XPT DATA
M ARtO,02iNO
-------
5-135
REF D1R ORD
304. N * N * H
A h C I
N2
EXPERIMENTAL
TYP COHHENTS
M37 F Z 15.78
1958
A13 R 2 21.465 -1.5 225.21
1961
298 STATIC DISCHARGE X EXTRAPOLLATED TO
HOT-WIRE RES THERM HIGH PRESSURE LIMIT
AFTERGLOW FOLLOWED
R M - N2
FROM REVERSE
R 2 22.167 -1.5 225.21
R H « N
FROM REVERSE
R 2 20.866 -1.5 225.21
R M 02,0,N3
FROM REVERSE
A18 R 2 21.1* -l.o 22*.9 8000- SHOCK TUBE N2/AR MIX X M AR
1968
I 0.0* I
15000 VACUUM UV FOR N2
R 2 21.57 -l.o 224.9
; o.io )
8000-
15000
X M N2
R 2 22.21 -l.o 224.9 8000-
I 0.14 I 15000
819 R 2 19.58 -l.u 224.9
1963 i 0.4 )
R 'H - N2
R 2 20.11 -l.u 224.9
i 0.5 I
R 2 19.28 -l.u 224.9
I 1.0 I
R M ANY
834 R 2 18.49 -0.5 225.
1961
R M - N2
R 2 19.18 -0.5 225.
R 2 18.30 -0.5 225.
R M AR.0,02
838 R 2 18.70 -0.75 224.9
1969 I 0.5 I
R M N2
R 2 22.48 -1.3 224.1
I 0.6 I
R 2 18.46 -0.82 224.9
( 0.5 )
R H - 02,0,NO,AR
B56 R 2 21.473 -1.3 225.
1964
R SELECTED
M « ANY
(REF E2)
R 2 17.284 -0.5 225.
R SELECTED
M > AR
R 2 17.68 -0.5 224.9
R SELECTED
M N2
R 2 17.28 -0.5 224.9
R SELECTED
H NO
IREF W7)
R 2 22.61 -1.5 224.9
R SELECTED
H - N
(REF W7)
R 2 17.28 -0.5 224.9
R SELECTED
M 02
(REF H7>
R 2 17.28 -0.5 225.
R SELECTED
M - 0
IREF U7I
881 R 2 17.68 -0.5 224.9 6000- SHOCK TUBE STUDY
1966 9000 N2/AR NIX
1NTERFEROMETRY
X M * N2
R 2 22.63 -1.5 224.9 6000-
9000
R 2 17.28 -0.5 22*.» 6000-
9000
X M > AR
B90 R 2 21.57 -1.6 224.93 6000-
1973 I 0.45 I I 1.0 1 15000
R EVALUATION
EXPRESSION OF A18
M » N2
-------
5-136
304. N + N + H * N2
REF OIR ORO A B C T EXPERIMENTAL
+ H
TYP COMMENTS
E3 R 2 21.473 -1.5 225.05
1962
R 2 20.96 -1.5 225.05
G20 R
1974
G21 R
1973
H2 R
1967
2 21.56 -1.6 224.9
( 0.5 )
2 21.57 -1.6 224.9
( 0.5 )
2 19.65 -1.0 225.
6000-
15000
6000-
15000
5973-
9973
R FROM REVERSE
BASED ON REF H17
M = N2
R FROM REVERSE
BASED ON REF HIT
M = 02,0
R M = N2
PREFERRED VALUE
EVALUATION
R M = N2
PREFERRED VALUE
EVALUATION
R SURVEY
M = N
R 2 19.85 -1.0 225.
5973-
9973
R M - N2
R 2 19.6 -1.0 225.
5973-
9973
R M ' AR
R 2 19.6 -1.0 225.
5973-
9973
R M - NE
M19 R
1966
2 19.93 -1.0 225.23
C CALCULATED VALUE
M » ANY
Tl R
1967
2 19.28 -1.0 225.
R SELECTED (REF B19)
M = ANY
R 2 16.6 -0.5 225.
R ESTIMATED (REF C7>
H - AR
R 2 17.73 -0.5 225.
R ESTIMATED (REF C7)
M - N2
R 2 16.18 -0.5 225.
R ESTIMATED (REF C7>
M = NO
R 2 16.6 -0.5 225.
R ESTIMATED (REF C7)
M > N
R 2 16.18 -0.5 225.
R ESTIMATED (REF C7)
M < 02
R 2 16.18 -0.5 225.
R ESTIMATED IREF C7)
M « 0
V6 R 2 25.894 -2.50 224.5
1961
C ESTIMATED BY ANALOGY
WITH 02+02-0+0+02
M « N>NO,N2fO,02
-------
5-137
REF out
413 F
1961
B19 F
1963
827 F
1965
834 F
1961
637 F
1964
B52 F
1969
B90 F
1973
B97 F
1973
Cl f
1967
C12 F
1961
09 f
1958
F25 F
19S7
G20 F
197*
GZ1 F
1973
H2 F
1967
H3 F
1959
H13 F
1968
H16 F
1957
H17 F
1961
K13 F
19S7
K24 F
1958
K.45 F
1970
N6 F
1964
P5 F
1962
V. F
1960
N17 F
1960
A13 R
1961
305. N » NO
ORO 4 8 C
2 11.? O.S u.
2 13.18 u. 0.
( 0.3 1
2 13.18 u. g.
1 0.3 I
2 11.124 0.5 0.
2 13.18 0. 0.
( 0.3 )
2 13.49 0. 0.334
1 0.2 ) 1 0.2 1
2 13.20 0. 0.
f 0.3 I
2 11.8 0.5 0.
2 13.18 0. 0.
( 0.7 I
2 13.48 0. 0.2
1 0.7 I
2 13.11 u. 0.
2 13. S 0. 7.0
2 13.21 u. 0.
( 0.3 I
2 13.21 0. 0.
( 0.3 1
2 13.3 0. 0.
2 11. 6
I O.S I
2 13.15
I 0.15 )
2 11.3
( O.S )
2 13.00
I 0.18 1
2 11.6
2 13.7
2 13.44 0. O.S
2 11.96 0.5 U.
( 0.12 )
2 13.12
i 0.10 1
2 12.34
1 0.26 1
2 13.11 0. 0.
2 11. T4 0.5 72.019
T
300-
1600
300-
5000
476-
755
2000-
3000
2188-
2400
300-
5000
300-
5000
300-
2400
300
298
340
300
300
300
298-
1912
298
SOO
4500-
7SOO
N2 * 0
EXPERIMINTJt
DISCHARGE FLOM SYST
N20/H2 AND H20/CO
FLAMES
NO DECOMP BY PROSE
NO OECDHP INITIATED
BY U235 EHISS FRACM
N2 OISCH-FLOW SYST
RXN 8Y MASS SPEC
STIRREO-FUW REACTOR
RXN BY MASS SPEC
STIRREO-FLON REACTOR
RXN BY MASS SPEC
N2 DISCH-FLOH SYST
RXN BY MASS SPEC
N2 DISCH-FLOW SYST
(NO) BY (N02I ANAL
SHOCK TUBE HI/ 02. MIX
TYP COMMENTS
R ESTIMATED FROM
AVAILABLE OATA
R
R
R SELECTED VALUE
R
R EVALUATION
R EVALUATION
FHD RX AT 300K
REV RX ABOVE 2000K
C ESTIMATE
TRANS STATE CORELAT
R SELECTED (REF 819)
X
R FROM REVERSE
X LEADS TO HIGH K
FOR N*02-NO+0
R PREFERRED VALUE
EVALUATION
R PREFERRED VALUi
EVALUATION
FROM REV ABOVE 2000K
R SELECTED VALUE
R SELECTED
R SUGGESTED VALUE
X TEMP UNCERTAIN
GREATER THAN 340K
X ALSO IN REF H18
X LONER LIMIT
X LOWER LIMIT
R SUGGESTED
R SUGGESTED
X
X
X BEST FIT TO XPT OATA
K BASED ON Ht
-------
5-138
REF OIR ORD
419 R 2
1963
627 R 2
1965
834 R 2
1961
837 R 2
1964
B38 R 2
1969
852 R 2
1969
856 R 2
1964
868 R 2
1971
890 R 2
1973
C19 R 2
1967
09 R 2
1958
016 R 2
1959
E3 R 2
1962
G20 R 2
1974
G21 R 2
1973
H2 R 2
1967
13 R 2
1973
L12 R 2
1971
H19 R 2
1966
Tl R 2
1967
V6 R 2
1961
H6 R 2
1962
H44 R 2
1973
305.
A
13.83
( 0.3 I
13.82
( 0.3 I
11.8
12.82
( 0.3 )
13.8
I 0.3 )
14.134
( 0.3 )
11. 74
14.15
13.88
I 0.30 )
13.8
13. 1
13.7
13.70
13.89
I 0.3 )
13.89
( 0.3 )
13.7
14.11
7.93
13.85
13.83
12.000
13.8
14.3
N + NO
B C
0. 75.0
u. 74.5
0.5 76.4
0. 75.
u.. 75.5
0. 75.4
0.5 72.
0. 75.3
u. 75.5
I 0.3 )
0. 75.
u. 75.3
0. 75.5
0. 75.54
0. 75.5
0. 75.5
0. 75.5
0. 75.4
0. 75.5
u. 75.
0.5 75.5
0. 75.5
0. 75.4
T
300-
1600
2150-
2800
2000-
5000
2300-
6000
2000-
3000
3000
2000-
5000
2000-
5000
1973-
2973
2000-
2250
2880
3400-
6700
- N2 +0
EXPERIMENTAL TYP
R
R
R
R
R
R
R
SHOCK TUBE STUDY X
H2/02/N2 MIX
(NO) BY UV ABSORPT
R
SHOCK TUBE X
(NO) BY IR EH1SS
10) BY CHEMILUMINESC
R
SHOCK TUBE X
OISSOC OF AIR
R
R
R
R
FLAT PREMIXEO FLAMES X
LEAN AND MODERATELY
RICH
LAMINAR FLAME X
PREMIXED C3HB/02/N2
ATMOSPHERIC PRESSURE
R
R
R
SHOCK TUBE STUDY X
NO/N2/02/AR MIX
(NO) BY UV ABSORPT
R
COMMENTS
EVALUATION
FROM REVERSE
SELECTED (REF M6)
SELECTED (B52)
EVALUATION
SELECTED (REF G12)
SELECTED VALUE
COMPARED WITH EXPT
SELECTED (REF 612)
PREFERRED VALUE
EVALUATION
PREFERRED VALUE
EVALUATION
SURVEY
CALCULATED FROM
MEASURED N3 CONCS
SELECTED (B19, W7)
SELECTED (REF B19)
SELECTED (REF 09)
BASED ON REF B52
-------
5-139
306. N t NO t n
REF DIR ORO
' N20
EXPERIMENTAL
TYP COHHENTS
B19 F 3 16.0 -1.0 0.
1963 I 2.0 )
C ESTIMATED
M « ANY
98* F 3 14.6 -1.0 2.0
1965
R SELECTED
PROBABLY UPPER LIMIT
L3 F 3 16.83 -1.5 0.
1961
R SELECTED (09)
S30 F 3
1972
R EVALUATION
NO EVIDENCE OF IT
819 R 2 14.0 -1.0 11*.5
1963 I 2.0 I
C ESTIMATED
M - ANY
L3 R 2 14.8 -1.5 114.4
1961
R SELECTED 109)
Tl R 2 14.0 -1.0 115.
1967
R SELECTED IREF B19)
307. N » N02
DIR ORD A B C
'NO * NO
EXPERIMENTAL TYP COMMENTS
B19 F
1963
B27 F
1965
637 F
1964
890 F
1973
621 F
1973
H3 F
1959
H16 F
1957
L3 F
1961
P10 F
1965
819 R
1963
890 R
1973
G21 R
1973
L3 R
1961
SI R
1967
Tl R
1967
2 11.0 0.
( 2.0 I
2 12.4 0.
( 2.0 1
2 11.01 0.
( 2.0 I
2
2
2 10.5
I 0.5 )
2 10.5
1 0.5 I
3 15.49 -l.u
2 12.57
( 0.08 )
2 10.0 0.
I 2.0 I
2
2
2 14.43 -1.0
2 9.96 ' 0.5
2 10.0 0.
10.
0.
u.
0.
87.
77.3
77.886
88.
300
NO DECONP INITIATED
BY U235 EMISS FRASM
N2 OISCH-FLOM SYST
N02 ADDED
MASS SPEC ANALYSIS
NO RECOMMENDATION
SUGGEST DATA OF
REF P10
NO RECOMMENDATION
INSUFFICIENT DATA
REF PIO BEST ESTIM
SELECTED
TEMP UNCERTAIN
GREATER THAN 340K
COLLISION THEORY
OVERALL K-1.1 £.13
MEASURED IMPORTANCE
ALTERNATE PATHS
R NO RECOMMENDATION
NO EXPERIMENTAL DATA
NO»NO«N20«0 FASTER
R NO XPTL DATA
REACTION SLOWER THAN
NO » NO - N20 « 0
C COLLISION THEORY
R FROM REVERSE
REVERSE K FROM PIO
TEMP OEP ASSUMED
K SELECTED IREF 819)
-------
5-140
KEF DIR QUO
B19 f 2
1963
B27 f 2
1965
837 F 2
1964
L3 F 2
1961
P10 F 2
1965
819 R 2
308. N » N02 « N2 4-02
ADC T EXPERIMENTAL TYP COMMENTS
11.0 0. 14. R
1 2.0 )
11.1 0. 14. R
( 2.0 1
11.01 U. 14. R
I 2.0 )
14.18 -1.0 0. C COLLISION THEORY
12. OS 300 DISCHARGE FLOW SYST X APPROX 0.10 OF
1 0.34 ) MASS SPECi PHOTOHET ALL PATHS FOR N»N02
11.23 0. 135. R
820 R 2 12.00 0. 120.
1964
R SELECTED IREF N2I
L3 R 2 14.43 -1.0 120.5
1961
C COLLISION THEORY
Tl R 2 11.23 0. 136.
1967
R SELECTED (REF 819)
309.
REF OIR ORD
N02 « N20 * 0
C T EXPERIMENTAL
TYP COMMENTS
B19 F 2 12.6 u.
1963
( 2.0 )
827 F 2 13.1
1965
I 2.0 I
H3 F 2 10.28
1959
I 0.5 I
300
R SELECTED
H16 F 2 10.3
1957 I 0.3 )
340 OECOMP NO INITIATED X TEMP UNCERTAIN
BY U235 FISSION GREATER THAN 340 K
L3 F 2 14.20 -0.5
1961
C COLLISION THEORY
P10 F 2 12.68
1965 ( 0.04 )
300 DISCHARGE FLOW SYST X APPROX 0.43 OF
MASS SPEC, PHOTOMET ALL PATHS FOR N»N02
819 R 2 13.0
1963 I 2.0
857 R 2 12.00 u.
1964
53.
R SELECTED IREF N2)
13 R 2 14.57 -0.5 41.0
1961
C COLLISION THEORY
Tl R 2 13.0
1967
0. 50.
R BASED ON 819, K12
-------
5-141
REF DIR ORD
310. N + N20
ABC
B19 F 2 8.7 0. 10.
1963 ( 1.0 I
L3 F
1961
B19 R
1963
L3 R
1961
Tl R
1967
2 15.23 -1.0 0.
2 7.9 0. 121.
( 1.0 )
2 14.43 -1.0 110.6
7.9 0. 121.
- NO + N2
T EXPERIMENTAL
TYP COMMENTS
R
C COLLISION THEORY
C COLLISION THEORY
R SELECTED (REF B19)
-------
5-142
REF OIR DRO
A13 F 3
1961
20.8 -1.5
M > NO + H
T EXPERIMENTAL
TYP COMMENTS
R BASED ON HIT
819 F 3
1963
16.8 -0.5
I 1.0 1
R M ANY
827 F 3
1965
16.9 -0.5 u.
( 1.0 )
R M » ANY
834 F 3
1961
17.23 -0.5
R M « ANY
837 f 3
1964
17.9 -0.5
( 0.5 )
R M > ANY
838 F 3
1969
15.60 u.
I 0.5 )
R RECOMMENDED VALUE
M - N2.02
22.52
I 0.6 )
R H - NO.O.N
F 3
16.94 -0.6
( 0.5 )
R M > AR
852 F 2
1969
16.81 -O.S
I 0.18 )
200-
400
R EVALUATION
885 F 3
1973
18.0 -1.
200-
4000
C EMPIRICAL CORELATION
B90 F 3
1973
Cl F 3
1967
16.81 -0.5
I 0.20 )
16.8 -0.5
I 1.0 )
200-
400
R N - N2
EVALUATION
SAME RATE AS REF CIS
R SELECTED (REF 819)
C8 F 3
1968
C14 F 3
1966
F 3
16.04
( 0.04 )
15.81
( 0.03 I
15.91
( 0.03 )
196 N2 DISCH-FLOW SYST X 20-50PCT H2 ADDED
METHOD AS IN REF CIS TO ACTIVE N2
M - H2
298 DISCHARGE-FLOW SYST X 0 ATOMS FROM DISSN
C02 OR N20 ADDED OF C02 OR N20
TO ACTIVE NITROGEN M - C02
196 X M C02
IS.73
I 0.03 )
298
X M - N20
F 3
15.90
I 0.02 )
X M » N20
CIS F 3
1967
15.568
I 0.027)
15.S89
( 0.032)
327 N2 DISCH-FLOU SYST
0-ATOHS FROM N*NO
298
X (0) AND (N) BY
NO AND N2 EMISSIONS
M - N2
X M - N2
15.595
I 0.033)
X M N2
F 3
15.689
I 0.040)
X H N2
15.474
I 0.0481
298
X M - AR
F 3
15.554
I 0.033)
X M AR
F 3
15.134
I 0.051)
X M > HE
CIS F 3
1967
15.40 U.
F 3 15.28 u.
-0.27
( 0.12 I
-0.27
I 0.12 )
N2 DISCH-FLOW SYST
0-ATOHS FROM N»NO
X (0) AND (N) BY
NO AND N2 EMISSIONS
M * N2
X M AR
C16 F 3
1968
16.41
( 0.03
'298 N2 DISCH-FLOH SYST X M > H20
METHOD AS IN REF CIS
-------
5-143
311.
KEF DIR
f
ORD
3 16.167
I 0.029)
M 'NO * M
T EXPERIMENTAL
196
TYf> COMMENTS
X H - C02
3 16.041
I 0.0381
196
X M . N20
016 f
1959
3 14.8
SHOCK TUBE
DISSOC OF AIR
X SELECTED VALUE
COMPARED WITH EXPT
F5 f
1963
3 16.3
ft SUGGESTED
G20 f
1974
G21 F
1973
H2 F
1967
3 16.81 -O.J
I 0.2 I
2 16.81 -0.5
( 0.2 )
3 15.5 0.
200-
400
200-
400
298-
348
R M N2
PREFERRED VALUE
EVALUATION
R M - N2
EVALUATION
RATE OF REF CIS
R SELECTED VALUE
M « N2
K2S f
1963
3 15.52
350 N2 STATIC DISCH SYST X DISCH IN N2+02 MIX
M » N2
M18 F
1961
N6 F
1964
3 15.262
I 0.045)
3 15.6
300 N2 DISCH-FLdW SYST X RESULT DEPENDS ON
(N) BY NO TITR K(0+0*MI, KIO+NALL)
M » N2
R SUGGESTED
HIT F
1960
3 20.
-1.3 0.
4500- SHOCK TUBE N2/02 MIX X M - 0, N, 02, N2, NO
7500 (NO) BY U.V. ABSORPT
H17 F
1960
3 20.0 -1.3 u.
4500-
7500
X BEST FIT TO XPT DATA
M - AR
A13 R
1961
2 21.714 -1.9 150.0
R BASED ON E2
B19 R
1963
2 17.38 -0.5 150.
( 1.0 1
R H > ANY
834 R
1961
2 16.947 -0.5 149.
R H - ANY
838 R
1969
2 21.900 -1.5 149.8
I 0.6 I
R M » NO.O.N
2 14.96 0. 149.8
I 0.5 I
R M - 02,N2
2 16.32 -0.6 149.8
( 0.5 )
R H - AR
B52 R
1969
B56 R
1964
2 17.356 -0.5 148.83
2. 21.714 -1.3 150.
3000-
5000
R FROM REVERSE
CAUTION RECOMMENDED
LARGE ERROR LIMITS
R SELECTED (REF E3I
M » ANY
R 2 20.60 -1.5 150.
R SELECTED (REF M7)
M - AR
R 2 20.60 -1.5 150.
R SELECTED (REF H7>
M * HZ
2 21.90 -1.5 150.
R SELECTED (REF H7)
N NO
R 2 21.90 -1.3 150.
R SELECTED REF H7>
N - N
R 2 20.60 -1.3 150.
R SELECTED (REF N7)
M - 02
R 2 21.90 -1.3 150.
R SELECTED (REF H7>
M - 0
885 R 2 22.32 -2. 1S4.5
1973
200-
4000
C FROM REVERSE
-------
5-144
311. N +0
REF DIR 000 ABC
- NO
EXPERIMENTAL
TYP COMMENTS
890 R 2
1973
C19 R 2 20.60 -1.5 150.
1967
2300-
6000
SHOCK TUBE
(NO) BY l.R. EHISS
R NO RECOMMENDATION
SUGGEST DATA OF
REF W6
X M - ARt 02, N2
R 2 21.90 -1.3 150.
2300-
6000
X M - NOi Ui N
E3 R 2 21.71* -l.» 150.0
1962
F10 R 2 15.8 u. 150. 3000-
1961 4300
G20 R 2 20.60 -1.3 150. 4200-
197* 6700
R 2 21.85 l.» 150. 4200-
6700
G21 R 2
1973
H2 R 2 20.59 -1.5 150. 2973-
1967 9973
R FROM REVERSE
BASED ON REF W17
M ANY
SHOCK TUBE NO/AR MIX X SOME INACCURACY DUE
(NO) BY U.V. ABSORPT TO N*NO«N2+0
M AR
R H - AR, 02, N2
NO RELIABLE RECOMM
USE WITH CAUTION
R H - NO, N, 0
NO RELIABLE RECOHM
USE WITH CAUTION
R NO RECOMMENDATION
INSUFFICIENT DATA
REF H6 BEST AVAIL
R SURVEY
M ' AR
R 2 20.59 -1.5 150.
2973-
9973
R H N2
R 2 20.59 -1.5 150.
2973-
9973
R M 02
R 2 21.9 -1.5 150.
2973-
9973
R M NO
R 2 21.9 -1.5 150.
2973-
9973
R 2 21.9 -1.5 150.
2973-
9973
R M 0
K45 R 2 20.60 -1.5 150.
1970
3000-
8000
R RECOMMENDED
M - AR, N2, 02
Hit R 2 19.46 -1.0 150.1
1966
C CALCULATED VALUE
M ANY
M26 R 2 14.137 O. 148.
1972
Tl R 2 17.38 -0.5 150.
1967
2600- SHOCK TUBE STUDY
6300 ATOMIC RES ABS SPECT
FOLLOWED (0)
X M - AR
R SELECTED (REF B19)
R 2 18.75 -l.u 151.
R SEL (819), EST (W6I
H AR
R 2 18.75 -l.u 151.
R SEL (819). EST (W6I
M N2
R 2 20.049 -l.u 151.
R SEL (B19), EST IW6)
M ' NO
R 2 20.049 -1.0 151.
R SEL (B19), EST (W6)
M » N
R 2 18.75 -1.0 151.
R SEL IB19), EST (W6I
M - 02
It 2 20.049 -1.0 151.
R SEL (B19I, EST (W6I
H - 0
V6 R 2 25.361 -Z.5 149.
1961
U6 R 2 20.60 -1.5 150.
1962
R 2 21.90 -1.3 150.
4200-
6663
3988-
6633
SHOCK TUBE STUDY
NO/N2/02/AR MIX
NO BY UV ABSORPT
C M - N,NO,HZ,0,02
ESTIMATED BY ANALOGY
WITH 02»02-0»0»02
X H AR, 02, N2
X H NO, 0, N
-------
5-145
912. N * 02
REF DIR ORD ABC
A13 f 2 11.95 0.5 7.83
1961
NO *0
EXPERIMENTAL
300-
2400
TYP COMMENTS
R PLOT EXPTL DATA
B19 F
1963
2 8.26 1.3 6.0
I 0.3 )
627 F
1965
2 8.3 1.9 13.
I 0.3 )
B34 F
1961
2 11.38 0.5 6.6
636 F
1969
2 12.52 0.
333 N2 OISCH-STATIC SYST X
DECAY N2 FOLLOWED
837 F
196*
2 8.3 1.5 6.6
I 0.3 I
R SELECTED VALUE
B3B F
1969
2 8.26 1.5 6.0
I 0.3 I
R SUCGESTEO VALUE
B52 F
1969
2 9.81 1. 6.25
( 0.1 ) I 0.2 )
300-
2000
R EVALUATION
B68 F
1971
890 F
1973
2 9.81 1.0 6.24
2 9.811 i. 6.25
I 0.30 I I 0.3 )
2150- SHOCK TUBE STUDY
2800 H2/02/N2 MIX
(NOI BY UV ABSORPT
300-
3000
X SELECTED IB52I
R EVALUATION
893 F
1973
B97 F
1973
2 9.81 1.
I 0.11 )
6.26
2 11.a 0.5 8.
300-
3000
R CRITICAL EVALUATION
ACCURATE OVER QUOTED
TEMP RANGE
C ESTIMATE
TRANS STATE CORELAT
Cl F
1967
8.26 i.2 6.0
( 0.70 I
R SELECTED (REF B19I
C12 F
1961
2 9.18
I 0.03 )
412 N2 DISCH-FLOM SYST X
IN) BY NO TITRATION
2 9.40
I 0.02 I
2 9.70
( 0.02 )
476
2 9.95
( 0.03 I
538
2 10.40
I 0.03 I
610
2 10.61
I 0.05 )
665
2- 10.95
I 0.02 )
755
C12 F
1961
2 12.92 0.
412- N2 DISCH-FLOW SYST X
755 (N) BY NO TITRATION
C24 F
1970
2 7.813
( 0.038)
302 DISCHARGE-FLOW
IN) BY TITRATION
C24 F
1970
09 F
1958
016 F
19S9
E3 F
1962
2 12.96 0.
i.l
2 11.01 U.3 6.2
2 11.0 0.5 6.*
2 12.0 0.5
302-
1000
SHOCK TUBE
DISSOC OF AIR
R COMBINED OMN RESULT
WITH HI TEMP RESULTS
OF OTHERS
R SUGGESTED
BASED ON REF K13
X SELECTED VALUE
COMPARED WITH EXPT
R SELECTED IREF W17)
G20 F
1974
2 9.82 1. 6.26
( 0.3 )
300-
3000
R PREFERRED VALUE
EVALUATION
-------
5-146
312.
REf DID ORD
N » 02
C
'NO » 0
EXPERIMENTAL
TYP COMMENTS
G21 F 2 9.82 1.
1973
H2
1967
I 0.3 I
F 2 12.3
a.26
6.0
300-
3000
398-
753
R PREFERRED VALUE
EVALUATION
R RECOHHENOEO VALUE
H3 F 2 7.78
1959 I 0.02 )
300
R SELECTED
H16 F
1957
2 7.8
I 0.5 )
340
NO DECOHP INITIATED K TEMP UNCERTAIN
BY U235 FISSION GREATER THAN 340K
F 2 13.58 u.
K13 F 2 12.3
1957
8.0
6.2 393
515
STATIC SYSTEM X
NO OECOMP IN QUARTZ
ABSORPTION
N2 DISCH-FLOH SYST
MASS SPEC
X DISAPPEAR N-ATOHS
FOLLOWED
K25 F 2 7.7
1963
350
N2 DISCH-FLOW SYST X
02 EFFECT ON N»N RXN
K31 F 2 13.58 0.
1955
8.0 1600-
1800
R FROM REVERSE
DATA OF VETTER
K45 F 2 13.00 0. 7.50 300-
1970 I 0.09 I ( 0.20 I 3000
R SUGGESTED
L12 F 2 9.73
1971
2860
LAMINAR FLAME X
PREMIXED C3H8/02/N2
ATMOSPHERIC PRESSURE
N6 F 2 11.1 0.5 6.0 400-
1964 1500
SI
1967
8.171 1.5 5.683 400-
5000
R BEST FIT EXPTL DATA
F 2 13.181 0.
7.793 400-
1700
R BEST FIT EXPTL DATA
Tl F 2 10.124 l.u
1967
C ESTIMATED FROM U6
V5 F 2 9.26
1967
F 2 9.76
F 2 10.11
453
DISCH-FLOW SYST
IN) BY N*NO
(0) BY N02*0
V5 F 2 12.58 0.
1967
V6 F 2 11.006 O.S
1961
0.20
453- DISCH-FLOH SYST
603 (N) BY N»NO
10) BY N02»0
X SUPERSEDES M16
R SELECTED IREF 091
HI F 2 9.780 1.0
1968 I 0.3 )
300-
5000
R EVALUATION
H16 F 2 7.68
1967
F 2 0.336
N2 DISCH-FLOH SYST
INI BY ESR
N DECAY FOLLOWED
353
X EFFECT 02 IMPURITY
IN N2 DISCUSSED
F 2 8.480
F 2 8.93
F 2 9.456
470
F 2 10.212
F 2 11.248
-------
5-147
31Z. N +02 . NO t 0
REF DIR ORB A b C T EXPERIMENTAL
TYf> COMMENTS
W16 F
1967
116 F
1967
H17 F
1960
2 11.5 0.5 7.13 300- R FITTED OWN LOW TEMP
2000 RESULTSWITH HIGHTEMP
RESULTS OF OTHERS
2 .'J'it? "* ?'9 3°°" "2 OISCH-F'-OH SYST X EFFECT 02 IMPURITY
< 0.021) { 0.2 ) 910 (Nl BY ESR IN N2 DISCUSSED
N DECAY FOLLOWED
2 12.0 0.5 6.20 4500- SHOCK TUBE N2/02 MIX X BEST FIT TO XPT DATA
7500
W44 F
1973
2 13.36 u. 7.7
R RECOMMENDED
A13 R
1961
2 11.083 0.5 39.24
300-
2400
R PLOT EXPTL DATA
B19 R
1963
2 7.63 1.5 38.0
( 0.3 )
B27 R
1965
2 7.63 l.s 38.
I 0.3 )
834 R
1961
2 10.7 0.5 38.6
R SUGGESTED VALUE
B37 R
1964
2 7.63 1.5 38.
( 0.3 )
B38 R
1969
2 7.64 1.3 38.0
( 0.3 )
B52 R
1969
2 9.19 1. 38.64 300-
( 0.1 ) ( 0.2 ) 2000
R FROM REVERSE
B56 R
1964
y.51 1.0 39.1
R SELECTED (REF K13)
B90 R
1973
2 9.18 1.
( 0.30 I
38.6 1000-
( 0.3 I 3000
R FROM REVERSE
09 R
1958
2 10.31 0.3 38.4
R FROM REVERSE
F7 R
1965
2 12.56 0. 39.5 1500-
1700
R SELECTED UEF K26)
2 11.62 u. 38.2 400-
500
R SELECTED (REF K13)
320 R
1974
9.18 1. 38.7 1000-
( 0.3 )
3000
R PREFERRED VALUE
EVALUATION
C21 R
1973
H2 R
1967
9.18 1. 38.8 1000-
( 0.3 )
2 v.5l 1.0 39.1
3000
448-
4973
R PREFERRED VALUE
FROM REVERSE
R SURVEY
Kll R
1955
K26 R
1959
K31 R
1955
2 12.92 u.
40.5
STATIC SYSTEM X
NO DECOHP IN QUARTZ
ABSORPTION SPECT
2 12.56 u. 39.5 1500- STATIC SYSTEM
( 1.0 I 1700 NO DECOMP/PORCELAIN
ABSORPTION SPECT
2 12.92 u. 40.5 1600-
1800
R CALCULATED FROM
DATA OF VETTER
M19 R
1966
9.51 l.u 39.1
R SELECTED (B19,H7)
Ml R
1968
2 9.12 l.u 38.2 300-
( 0.3 ) 5000
R EVALUATION
CALC FROM REVERSE
M6 R
1962
9.51 1.
39.1
450-
5000
R FITTED OWN HIGH TEMP
RESULTWITH LOW TEMP
RESULTS OF OTHERS
-------
5-148
313. N « 02 » H
KEF 01» ODD
N02
EXPERIMENTAL
TYP COMMENTS
NO DATA ON THIS RX
IN DATA BANK
AT THIS TIME
=IEF DI1 3RD
314.
0
NO * NO
B C
0. 79.5
- N2 02
T EXPERIMENTAL
TYP COMMENTS
R
827 F 2 12.B D.
1965 ( 1.0 )
79.5
B90 F 2
1973
R NO RECOMMENDATION
PROBALY MINOR
Cl F 2 13.0
1967 ( 1.0 I
79.5
R SELECTED (REF B19I
09 F 2 12.11 0. 63.8
1358
R SELECTED (KEF K31)
F27 F 2 8.511
1961
2970 SHOCK TUBE NO/AR
NO BY UV ABSORPTION
X ASSUME PROD N2 * 02
F 2 8.230
F 2 9.009
F 2 10.021
F27 F
1961
2 23.38 -2.5 85.5
1400- SHOCK TUBE
4300
R ASSUME PROD N2 » 02
OHN DATA » REF K26
Kll F
1955
U6 F
1962
B19 R
1963
2 12.11 0. 63.8
2 23.38 -2.5 85.5
2 14.3 u. 122.4
I 1.0 1
1370- STATIC SYSTEM X HOHDGEN AB3VE 1400
1535 NO DECOHP IN OUARTZ CONCLUDED N2«02 PROD
RXN FOLL SPECTROPHOT PROBABLY MAS N20«0
3000- SHOCK TUBE STUDY
8000 NO/N2/02/AR MIX
(NO) BY UV ABSORPT
X SELECTED
856
1964
2 24.96 -2.5 128.5
R SELECTED (REF F10)
B90 R
1973
R NO RECOMMENDATION
PROBALY MINOR
09 R
1958
2 13.43 0. 107.
R FROM REVERSE
M19 R
1966
2 14.30 u. 122.
R SELECTED (B19.K7I
Tl R
1967
R SELECTED (REF B19)
V6 R
1961
2 13.431 O. 106.9
R SELECTED (REF Kill
M6 R
1962
2 24.96 -2.5 128.5
3000- SHOCK TUBE STUDY
8000 NO/N2/02/AR MIX
BY U.V. ABSORPT
X CALCO FROM REVERSE
EXPT NOT SENSITIVE
TO VALUE OF K
-------
5-149
REF OIR ORD
315. NO * NO
1 B C
B19 F 2 12.54
1963 I 1.0
64.
* N20 * 0
I EXPERIMENTAL
TYP COMMENTS
R
B20 F 2 12.511 u. 64.28
1964
R FROM REVERSE
B34 F 2 12.41 u.
1961
B90 F 2 12.11 u.
1973
( 0.25 I
63.8 1200-
( 3.0 I 2000
C19 F 2 20.68 -2.1 85.3 2300- SHOCK TUBE NO
1967
F12 F 2 12.5
1958
F27 F
1961
8.511
6000 NO, N20 BY IR EHISS
0 BY CHEMILUMINESC
R EVALUATION
EXPRESSION OF
REF Kll
X USING K FOR NO+NO
FROM F27
DATA 2.5X HIGHER
1450- FLAME STUDY X FROM REVERSE
1730 N20 TO H2/AIR FLAME
INO)t(N20) MASS'SPEC
2970 SHOCK TUBE NO/AR X ASSUMED PROD N2 + 02
INO) BY U.V. ABSORPT PROBABLY N20+0
F 2 8.230
3070
F 2 9.009
3070
F 2 10.021
4230
F27 F 2 23.38 -2.5 85.5
1961
G20 F 2 12.12 0. 63.
1974 ( 0.3 )
1400- SHOCK TUBE
4300
1200-
2000
X ASSUMED PROD N2+02
PROBABLY N20+0
OWN DATA * REF K26
R PREFERRED VALUE
621 F 2 12.12 0. 63.8 1200-
1973 I 0.3 I 2000
H2 F 2 23.38 -2.5 85.5 1373-
1967 4273
R PREFERRED VALUE
EVALUATION
RATE OF REF Kll
R SURVEY
Kll F 2 12.11 0. 63.B
list
F 2 0.049
1370- STATIC SYSTEM X HOMOGEN ABOVE 1400 K
1535 NO DECOMP IN QUARTZ CONCLUDED N2*02 PROD
RXN POLL SPECTROPHOT PROBABLY MAS N20+0
1123 X
F 2 0.586
1190
F 2 0.848
1223
F 2 1.011
1247
F 2 1.418
1299
F 2 1.607
1323
F 2 1.973
1373
F 2 2.314
1423
F 2 2.511
1451
F 2 2.815
1499
F 2 3.021
1533
K31 F 2 12.11 u. 63.
1955
1370- THERMAL REACTION X
1535
-------
5-150
315. NO + NO
REF DIH ODD A 6
M26 F 2 10.371 0.
1972
Tl F 2 12.24 u.
1967
H18 F 2 15.20 u.
1952
H19 f 2 2.85
1952
f 2 3.78
f 2 4.68
f 2 5.36
Yl F 2 13.19 0.
1959
Yl F 2 t.22
1959
F 2 1.55
F 2 4.62
F 2 4.72
F 2 S.05
F 2 5.26
F 2 5.43
F 2 3.43
F 2 5.47
F 2 5.58
F 2 5.73
F 2 5.62
F 2 6.18
F 2 ».93
F 2 0.15
F 2 6.36
F 2 6.69
819 * Z 14.0 u.
1963 I 1.0 1
820 R 2 14.0 u.
1964
C T
29.0 2600-
6300
64.
82.0 1000-
1275
1525
1690
1840
1912
63.1 1573-
2087
1573
1588
1643
1673
1692
1723
1750
1778
1800
1810
1850
1878
1943
1950
1970
1990
2087
28.
28.
1 3. )
N20 * 0
EXPERIMENTAL TYP
SHOCK TUBE STUDY X
ATOMIC RES ABS SPECT
FOLLOWED 10)
R
STATIC SYST QUARTZ X
OECOMP NO FOLLOWED
HANOHET. » SPECTRO.
STATIC SYST QUARTZ X
DECOMP NO FOLLOWED
HANOMET. * SPECTRO.
X
X
X
FLOW SYSTEM X
NO DECOHP IN ALUNDUH
RXN BY WET ANAL NO
FLOW SYSTEM X
NO OECOMP IN ALUNDUH
RXN BY WET ANAL NO
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
X
R
R
COMMENTS
ACTIVATION ENERGY
LESS THAN ENTHALPY
SELECTED IREF B19)
BASED ON F8
HETEROGEN BELOH 1000
HOMOGENEOUS ABOVE
2ND ORDER REMOVAL NO
ONLY INITIAL STAGES
DATA OF VETTER
HETEROGEN BELOW 1100
2ND ORDER ABOVE 1500
NO REMOVAL 2ND ORDER
ABOVE 1500 K
SELECTED (REF Fill
-------
REF DIR ORO
315. NO * NO
A B c
B27 R 2 14.1 u. 28.
1965 I 1.0 )
834 R 2 14.00 u. 28.
1961
B37 R 2 14.01 0. 28.
1964 I 1.0 )
5-151
N20 + 0
EXPERIMENTAL
TYP COMMENTS
B43 R
1961
B44 R
1968
B75 R
1968
B90 R
1973
09 R
1958
F7 R
1965
Fll R
2 9.38
I 0.19 )
2 13.20 0.
2 13.20 0.
2 14.00 0.
( 0.25 I
2 11.00 u.
2 14.00 u.
2 14. u u.
25.
25.0
28.0
1 3.0 )
15.5
28.
28.
1806 SHOCK TUBE
N20 OECOMP
ANAL BY MASS SPEC
1800- SHOCK TUBE N20/NE
2300 SAME
AS KIN20»0-N2*02)
X
R EVALUATION
EXPRESSION OF
REF Fll
R SELECTED IREF K19)
R SELECTED (REF Fll)
X 10) FROM EOUIL DATA
F12 R 2 10.26
1958
R 2 10.097
1730
1635
N20 ADDED TO FLAME
INO)>(N20) MASS SPEC
FLAME STUDY
N20 TO H2/AIR FLAME
INOIilNZO) MASS SPEC
9.74
1565
9.70
9.64
9.70
1500
CO ADDED
9.45
1456
R
F12 R
1958
F18 R
1966
620 R
1974
G21 R
1973
H2 R
1967
H19 R
1969
K19 R
1956
K19 R
1956
K45 R
1970
2 9.41
2 14.0 0.
£ 13.36 0.
( 0.07 I
2 14.01 U.
I 0.3 I
2 14.01 U.
( 0.3 )
2 13.36 U.
2 14.80 0.
I 0.48 1
2 7.54
2 11.0 0.
2 13.56 u.
32.
I 4. )
25.0
I 0.8 I
28.0
28.0
25.
26.7
15.5
( 1.0 1
27.2
1456
1450-
1730
1695-
2325
1200-
2000
1200-
2000
1673-
2273
1700-
4000
973
900-
2300
FLAME STUDY
N20 TO H2/AIR FLAME
(NO),(N20) MASS SPEC
SHOCK TUBE
N20 BY IR EMISSION
0 FROM 03 OECOMP
SHOCK TUBE N20/H2/AR
OH AND NO BY UV ABS
STATIC SYSTEM
N20 DECOMPOSITION
NO BY SPECTROPHOTOM
X
X
X INDICATE NO+NO
DOMINATE OVER N2+02
AS PRODUCTS
R PREFERRED VALUE
RATE SET EQUAL TO
N20 + 0 - N2 + 02
R PREFERRED VALUE
EVALUATION
RATE OF REF Fll
R SURVEY
X BEST FIT TO EXPT
X
X ESTIMATE ACT ENERGY
R SUGGESTED
-------
5-152
315. NO + NO
REF DIR ORD ABC
L14 R 2
1973
M29 R 2
1973
SI R 2 13.66 0. 24.1
1967
= N20 +0
EXPERIMENTAL
1300- SINGLE PULSE SHOCK
1950 THERMAL OECOMP N20
CHROMAT06RAPHIC ANAL
1169- SINGLE PULSE SHOCK
1655 02»N2tNO,COiKR,C02i
N20 BY GC
1370-
2300
TVP COMMENTS
K(N20«0*NO+NO/N2+02)
=0.5 (0.2)
ASSUME 3-STEP MECH
K/MN20+0-N2+021-
0.317 (0.27)
R BEST FIT TO
F11,F12,F18,K13,K26
S36 R 2 13.65 0. 24.1
1973
1400- INCIDENT SHOCK
3000 N20/AR MIX
(N20) BY IR EMISSION
X LITERATURE VALUES
FIT EXPTL DATA
-------
5-153
REF DU ODD
316. NO
AB
019 t
1963
2 12.0 0.
I 2.0 I
- N20 02
EXPERIMENTAL
TYP COMMENTS
C ESTIMATED
L3 F 2 13.76
1961
C COLLISION THEORY
819 it
1963
2 13.0 0.
I 2.0 I
C ESTIMATED
657 R 2 14.78 -1.5 9.9
R ESTIMATE OF KEF 13
13 R 2 It.8 -l.J 9.9
1961
C COLLISION THEORY
Tl R 2 13.0
1967
R SELECTED IREF 6191
REF DI<> DUO
619 F
1963
2 14.40
i 1.0 I
317. NO » N20
ABC
50.
N02 + N2
T EXPERIMENTAL
TYP COMMENTS
R
B34 F
1961
2 14.40 0.
56.
09 F
195B
2 14.40 u.
R SELECTED IREF K30I
F2B F
1964
50.0 1500- SHOCK TUBE NO/N20
2200
K30 F
1955
2 14.40 0.
924- THERMAL REACTION
1028
K30 F
1955
2 2.550
I 0.012)
2 3.149
( 0.0091
2 3.778
I 0.0111
L3 f
1961
14.40 0. 50.0
R SELECTED (D9I
B19 R
1963
2 14.15 0.
I 1.0 I
834 R
1961
2 13.34 u.
B57 R
1964
2 14.67 o.
R SELECTED IREF 091
DERIVED FR3N REF Kll
L3 R
1961
Tl R
1967
14.67 0.
2 14.15 0. 13.
R FROH REVERSE
BASED ON 09
R SELECTED IREF B19I
-------
5-154
REF DIR ORO
318. NO * 0
ABC
819 F
1963
B27 F
1965
F
83* F
1961
837 F
1964
B53 F
1970
BBS F
1973
890 F
1973
C9 F
1962
f
f
F
09 f
1958
F18 F
1966
F19 F
1957
F20 F
1936
G8 F
1960
G20 F
197*
f
G21 F
1973
H2 f
1967
H9 f
19SB
HID F
1967
f
f
H13 f
1968
H38 F
1973
3 18.7 -1.0 u.
I 1.0 )
3 15.0 0. -l.D
I 0.5 I
3 15.21 0. -1.8
I 0.5 I
3 16.3 u. u.
3 18.7* -l.u 0.
3 15.02 u. 1.67
( 0.08 ) I 0.1 I
3 20.2 -l.» 0.
3 15.0* 0. -1.87
I 0.08 ) 1 0.1 1
3 1*.95 u. -1.8
I 0.* )
3 16. 43
I 0.05 I
3 16. *9
I 0.05 )
3 16.26
1 0.07 )
3 16.26 u. 0.
3 17.98 -1.0 o.
3 16.26
3 17.6
3 17.15
3 15.0* 0. -l.y
1 O.OB )
3 15.18 0. -l.y
( O.OB 1
2. 15.0* 0. -1.87
( 0.08 )
3 16.0 0. 0.
3 16.4*
( 0.03 )
3 16.46
( 0.0* )
3 17.230
1 0.0*6)
3 17.13*
( 0.0*8)
3 16.48
I 0.07 )
3 15.02 0. 1.9
I 0.2 )
200-
500
200-
*000
200-
500
293
293
293
298
1700-
2300
300
298
293
200-
500
200-
500
200-
500
298-
1023
300
298
298
298
298
200-
500
> N02 * M
EXPERIMENTAL TYP COMMENTS
R M ANY
R EVALUATION
M - 02
R M . N2
R M - ANY
R H ANY
02 OISCH-FLOW SYST
R EVALUATION
USE M/CARE ABOVE 500
C EMPIRICAL CORELATION
R EVALUATION
M - 02, AR
X M 02
M - 02
N2
SELECTED IREF F19I
R BEST ESTIMATE
BASED ON EXTRAPOL
OF LOH TEMP RATES
PHOTOLYSIS OF N02 X H > N2
STIRRED FLOW REACTOR
STATIC N02 PHOTOL X M « N2
(N02I BY U.V.SPECTRO
DIFFUSION FLAME X M - NO
PART DISSOC N2 OR 02 DID NOT CONSIDER
ADDED TO NO N02+0-NO+02
R M « 02, AR
PREFERRED VALUE
EVALUATION
R M » N2
PREFERRED VALUE
EVALUATION
R M - AR, 02
PREFERRED VALUE
EVALUATION
R SELECTED VALUE
M 02,N2
02 DISCH-FLOH SYST X M - AR
(0) BY AIR AFTERGLOW
OISCH-FLOW SYST
020
R SUGGESTED VALUE
M - 02, N2, AR
R H - 02, AR
RECOMMENDED RATE
-------
5-155
316. NO »
REP OIR OKD A
0 » M
C T
N02
EXPERIMENTAL
TYP COMMENTS
f 3 15.17
I 0.2 I
200-
900
R M N2
RECOMMENOEO RATE
EVALUATION
K14 F 3 15.158 0. -1.93 307- N2 OISCH-FLOH SYST X M N2
1964 I 0.0561 ( 0.10 ) 505 10) BY MASS SPEC
K16 F 3 16.40
1958
296 02 OISCH-FLOH SYST X H 02 N2 AR
(01 BY AIR AFTERGLOW ROOM TEMPERATURE
ALSO REPORTED IN K20
296
X H C02 N20
ROOM TEMPERATURE
K19 F 3 15.86
1956
F 3 15.72
973 STATIC SYSTEM
N20 DECOMPOSITION
NO BY SPECTROPHOTOM
1031
K21 F 3 16.34
1965
300 02 OISCH-FLOH SYST X M « AR
F 3 16.26
X M « HE
F 3 16.53
300
X H N2
F 3 16.34
X M 02
F 3 16.67
300
X M - C02
F 3 16.67
X H - N20
F 3 16.71
300
X M CH4
F 3 16.71
300
X M CF4
F 3 16.76
X M . SF6
F 3 17.14
300
X M H20
K45
1970
F 3 21.43 -2.04 0.
I 0.23 I
212-
2300
R SUGGESTED
M > 02
N6
1964
F 3 15.0 0.
2.0
R SUGGESTED
ANY
03
1959
F 3 16.267
( 0.023)
293 02 OISCH-FLOH SYST X M 02 AR HE
(01 BY HEAT PROBE
F 3 16.30
! 0.04 )
294
X M - C02
F 3 16.310
( 0.041)
279
X M 02 AR HE
F 3 16.36
( 0.04 )
213
X M - C02
SI
1967
F 3 15.16 0. -1.93
307-
505
R RECOMMENDED VALUE
VALUE OF K14
S20
1970
H13
1964
F 3 16.690
F 3 16.46
300 STATIC REACTOR X M AR
0 BY PHOTODISSOC.
ATOMIC RES FLUORESC
300 02 OISCH-FLOH SYST X M 02
819
1963
R 2 21.72 -l.u 70.5
I 1.0 )
R M ' ANY
B20
1964
R 2 21.83 -1.5 71.
R SELECTED (REF L4)
BASED ON H4
-------
5-156
3EF OIR ORO
B34 R 2
1961
853 R 2
1970
885 R 2
1973
B90 R 2
1973
09 R 2
1958
S20 R 2
1974
G21 R 2
1973
H4 R 2
1959
H8 R 2
1963
318. NO + 0
ABC
18.34 0. 72.
16.05 0. 65.
( 0.1 ) I 1.5
24.51 -2.a 74.0
16.04 0. 65.0
( 0.10 ) ( 1.5
18.28 0. 72.
16.04 0. 65.6
( 0.1 )
16.04 0. 65.0
( 0.1 )
16.18 0. 65.4
7.934
\ * H
T
1400-
I 2300
200-
4000
1400-
) 2400
1400-
2400
1400-
2400
1750-
2300
1830
* N02 + M
EXPERIMENTAL
SHOCK TUBE N02/AR
IN02) BY ABSORPTION
SHOCK TUBE N02/AR
(N02) BY EMISSION
TYP COMMENTS
R H « ANY
R EVALUATION
EXPRESSION OF T4
M « AR
C FROM REVERSE
R EVALUATION
EXPRESSION OF REF T4
M - AR
R FROM REVERSE
R PREFERRED VALUE
EVALUATION
R H - AR
EVALUATION
RATE OF REF T4
X M * AR
X M » AR
R 2 7.980
1850
R 2 8.279
1910
R 2 8.362
1915
R 2 8.541
1945
R 2 8.744
2050
R 2 8.789
2100
R 2 9.009
2180
R 2 9.076
2200
R 2 v.264
2200
H8 R 2 16.072 0.- 65.9 1830- SHOCK TUBE N02/AR X n - AR
1963 2200 (N02) BY EMISSION
R 2 21.669 -1.9 72.0 1830-
2200
X ALTERNATE EXPRESSION
BASED ON RRK
T4 R 2 16.05 0. 65.0 1450- SHOCK TUBE N02/AR X M - AR
1969 2000 (N02) BY ABSORPTION LOW PRESSURE LIMIT
T4 R 1 14.3 0. 71.86 1450-
1969
I 0.3 )
T5 R 1 13.11
1969
2000
X HIGH PRESSURE LIMIT
FIRST ORDER K
SET ACT EN-OISSN EN
295 PHOTOLYSIS N02/NO/N2 X HIGH PRESSURE LIMIT
UNIMOLECULAR DISSN
-------
5-157
REF DIR ORD
319. NO < 02
ABC
619 F 2 12.04 0. 54.
1963 1 1.0 )
N02 » 0
EXPERIMENTAL
TYP COMMENTS
It
B20 F 2 11.89 0. 45.4
1964
R SELECTED (REF 09)
B34 F 2 13.38 0.
1961
853 F 2 12.0 0. 45.5
1970 I I. I ( 1.5 )
890 F 2 12.23 u. 46.5
1973
300-
550
R SURVEY
CALC FROM REVERSE
NO DIRECT DATA
R FROM REVERSE
819 R 2 12. S
1963 I 1.0 I
826 R 2 12.5
1963
827 It 2 13.3
196S ( 0.5 I
300
R RECALCULATED RESULTS
OF REF F19 USING NEW
0 ATOM ENTHALPY
R EVALUATION
834 R 2 12.18 u.
1961
837 R 2 12.5
1964 I 0.5 )
853 R 2 13.00 u.
1970 I 0.1 I
0.6
0.2 I
280-
550
EVALUATION
B90 R 2 13.00 u.
1973 ( 0.10 )
0.6
0.2 )
300-
550
R EVALUATION
09 R 2 12.32 U.
1958
298
R SELECTED (REF F19I
028 R 2 12.74 0.
1973 ( 0.02 I
230-
339
FLASH PHOTOLYSIS-
RESONANCE FLUORESC
X TRIPLET 0
F7 R 2 12.26
1965
300
R SELECTED
F15 R 2 12.3
1966
R 2 12.81
298
1035
SHOCK TUBE WITH
FLASH PHOTOLYSIS
MASS SPEC ANALYSIS
X STUDY OF TECHNIQUE
FEASIBILITY
F19 R
1957
2 15.32
300
PHOTOLYSIS OF N02
STIRRED FLOM REACTOR
G20 R 2
1974
12.74
( 0.06 I
230-
550
R PREFERRED VALUE
EVALUATION
H3 R 2
1959
11.6
300
R SELECTED
H16 R
1957
9.8
(0.3 I
340 DECOMP NO INITIATED
BY U235 FISSION
X TEMP UNCERTAIN
SREATER THAN 340 K
H38 R 2
1973
12.74 0.
( 0.08 )
220-
500
R RECOMMENDED RATE
EVALUATION
K13 ft
1957
2 12.0
300
N2 DISCH-FLOM SYST
MASS SPEC
X LOWER LIMIT
K14 R 2
1964
13.290 O.
( 0.118)
1.06 278- 02/AR DISCH-FLOM SYS
( 0.20 ) 374 (01 BY ND2 MEASURE
K45 R
1970
13.29 u.
( 0.45 I
1.16
I 0.64 I
280-
410
R SUGGESTED
N6 R 2
1964
11.98 0.5 1.0
R SUGGESTED
PS R 2
196Z
12.18
( 0.09 I
298 02 OISCH-FLOW SYST
MASS SPEC ANALYSIS
(0) BY N02 TITRATION
-------
5-158
319. NO + 02
REF DIR ORD A B C
- N02 * 0
T EXPERIMENTAL
TYP COMMENTS
SI R 2 13.28 0.
1967
1.06
278-
374
R RECOMMENDED VALUE
BASED ON K14i K15
S17 R 2 12.53
1968 ( 0.11 )
R 2 12.67
( 0.10 )
298
410
FLASH PHOTOLYSIS
N02/CS2/AR MIXTURES
PYREX SYSTEM
S31 R 2 12.75
1973
296
0 FROM 02 PHOTOLYSIS X TRIPLET 0
(0) BY CHEMILUMINESC
R 2 12.80
240
Tl R 2 13.3 0.
1967
1.1
R SELECTED (REF K14)
W12 R
1969
2 12.62
( 0.04 I
297
02/HE OISCH-FLOH SYS X
ESR ANALYSIS
R 2 12.72
428
R 2 12.78
434
R 2 12.81
437
R 2 12.65
532
R 2
12.72
( 0.03 )
543
H12 R
1969
2 13.00 0.
0.58
297- 02/HE DISCH-FLOW SYS X
543 ESR ANALYSIS
-------
5-159
REF D1R
819 f
1963
827 F
1965
B37 F
1964
B84 F
1969
890 F
1973
F
09 F
1958
620 F
197*
G20 F
197*
L3 F
1961
N5 F
1969
S30 F
1972
819 R
1963
8** R
1968
875 R
1968
890 R
1973
R
09' R
1958
G20 R
197*
G20 R
197*
L3 R
1961
LI* R
1973
N5 R
1969
S30 R
1972
R
R
R
320.
OHO A B
3 1*.86 u.
I 1.0 I
3 1*.9 0.
I 2.0 1
3 15.9 0.
3 1*.6 0.
3 13.15 0.
I 0.15 I
3 13.70 0.
( 0.15 1
3 17.73 -l.u
3 13.15 u.
( 0.2 )
2 9.5 u.
I 0.2 )
3 17.73 -l.u
3 13.260 0.
3 10.3 0.
2 19. 45 -1.0
I 1.0 )
2 14.3 0.
2 1*.3 0.
2 14.70 0.
( 0.15 )
2 15.43 0.
I 0.15 )
2 21.72 -2.0
2 14.70 0.
I 0.2 )
1 11.11 0.
1 0.2 I
2 22.32 -2.0
2 13.1 u.
I 0.3 )
2 15.0 u.
2 14.67 u.
1 0.10 1
2 13.40 0.
I 0.18 1
2 12.86 0.
( 0.30 )
2 15.45 0.
1 0.48 I
N2 + 0
C
12.
40.
12.
14.9
20.7
I 3.0 )
21.3
( 3.0 1
23.
20.7
22.51
21.4
U.
51.3
53.5
53.9
58.0
I 3.0 )
59.2
< 3.0 I
62.
57.6
59.6
62.0
44.1
( 2.1 )
61.0
58.0
43.6
40.7
59.4
+ M N20 + H
T EXPERIMENTAL
1300-
2500
900-
1050
1300-
2500
900-
2100
300-
568
1800- SHOCK TUBE N20/NE
2300 IN20).(N2)il02)>INOI
BY MASS SPEC ANALYS
1800- N20 01 SS REFLECT SHK
2300 N20tN2t02iNO-M SPEC
1300-
2500
900-
1050
1300-
2500
900-
2100
1300- SINGLE PULSE SHOCK
1950 THERMAL OECOHP N20
CHROHATOGRAPHIC ANAL
1500-
2500
1500-
2600
1750-
2800
850-
1050
TYP COMMENTS
R H - ANY
R H ANY
R H » ANY
R SELECTED
PROBABLY UPPER LIMIT
R FROM REVERSE
H - AR
R FROM REVERSE
M - N20
R FROM REVERSE
R FROM REVERSE
PREFERRED VALUE
H ' AR
R FROM REVERSE
PREFERRED VALUE
HIGH PRESSURE LIMIT
R SELECTED (09)
R FROM REVERSE
R EVALUATION H N2
APPROXIMATE VALUE
LIMITED DATA
R M - ANY
X
X
ft EVALUATION
M AR
R EVALUATION
M - N20
R SELECTED IREF J7)
POSSIBLE MISPRINT
PROBABLY A-22.32
R PREFERRED VALUE
M > AR
R PREFERRED VALUE
HIGH PRESSURE LIMIT
R SELECTED (091
X M - KR
ASSUME 3-STEP MECH
R SELECTED (M10)
R EVALUATION
M AR
R EVALUATION
M - NE
R EVALUATION
H > KR
R EVALUATION
M > N20
-------
5-160
320. N2 * 0 + H « N20 + H
REF DIR QRO A B C ^ - T EXPERIMENTAL TYP COMMENTS
_y
S30 R 1 11.15 0. 59.5 800- R EVALUATION
1972 ( 0.18 ) 2100 HIGH PRESSURE LIMIT
536 R 2 14.67 0. 58.0 1400- INCIDENT SHOCK X LITERATURE VALUES
1973 3000 N20/AR MIX FIT EXPTL DATA
(N20) BY IR EMISSION
-------
5-161
REF OIR ORD
B19 F 2
1963
B20 F 2
196*
B3* F 2
1961
B90 F 2
1973
B90 F 2
1973
G20 F 2
197*
G21 F 2
1973
L3 F 2
1961
Tl F 2
1967
B19 R 2
1963
827 R 2
1965
83* R 2
1961
B37 R 2
196*
6*3 R 2
1961
8** R 2
1968
875 R 2
1968
890 R 2
1973
09 R 2
1956
620 R 2
197*
G21 R 2
1973
K19 R 2
1956
K19 R 2
1956
L3 R 2
1961
LI* R 2
1973
M29 R 2
1973
S36 R 2
1973
321.
A B
12.60 0.
( 1.0 )
9.60 u.
18.6 u.
13.78 u.
I 0.* )
13.80 0.
I 0.35 )
13.78 0.
( 0.* )
13.78 0.
( 0.* )
9.6 0.
12.6 0.
13.5 0.
1 1.0 )
13.5 u.
( 1.0 )
13.5 0.
13.5 0.
( 1.0 I
8.90
( 0.19 1
13.20 u.
13.20 0.
I*. 00 0.
( 0.35 )
10.5 0.
1*.01 0.
I 0.* )
1*.01 0.
( 0.1 )
7.23
10.5 0.
10.5 u.
13.65 0.
N2 * 02
C
105. <
93. u
72.
109.7
110.
1 *. I
109.7
109.7
93.2
106.
26.8
26.8
27.
27.
25.
25.0
28.
( *. )
1*.5
28.0
28.0
1*.5
I 2.0 )
1*.5
2*.l
T
1200-
2000
1200-
2000
1200-
2000
1200-
2000
1806
1800-
2300
1800-
2300
1200-
2000
1200-
2000
1200-
2000
1300-
1950
1169-
1655
1*00-
3000
N20 * 0
EXPERIMENTAL
SHOCK TUBE
N20 DECOHP
ANAL8Y MASS SPEC
SHOCK TUBE N20/NE
IN20).(N2)f(02)i(NO)
BV MASS SPEC ANALYS
N20 DISS REFLECT SHK
N20iN2i02tNO-M SPEC
STATIC SYSTEM
N20 DECOMPOSITION
NO BY SPECTROPHOTOM
SINGLE PULSE SHOCK
THERMAL OECOMP N20
CHROMATOGRAPHIC ANAL
SINGLE PULSE SHOCK
02,N2,NO,CO,KRtC02,
N20 BY GC
INCIDENT SHOCK
N20/AR MIX
>«<*nt DW to CUICCt riM
TYP COMMENTS
R
R SELECTED (REF 09)
R
R FROM REVERSE
NO EXPERIMENTAL DATA
R FROM REVERSE
R PREFERRED VALUE
EVALUATION
R PREFERRED VALUE
NO XPTL DATA
RATE FROM REVERSE
R SELECTED (09)
R SELECTED IREF 819)
R
R
R
R
X VALVE IS I/* OF
REPORTED K FOR N20+0
N2+02 AND NO*NO
X K1N20*0-NO»NOI SAME
AS KIN20+0-N2+02)
X
R EVALUATION
RATE SET EQUAL TO
N20 * 0 NO + NO
R SELECTED (REF K19)
R PREFERRED VALUE
RATE SET EQUAL TO
N20 + 0 NO + NO
R PREFERRED VALUE
RATE SET EQUAL TO
N20 » 0 NO t NO
X
X ESTIMATE ACT ENERGY
R SELECTED 109)
X K(N20+0«NO*NO/N2*02I
0.5 (0.2)
ASSUME 3-STEP HECH
X K(N20»0-NO*NO)/K -
0.317 10.27)
X LITERATURE VALUES
FIT EXPTL DATA
-------
5-162
REF DIR ORD
322. 0 » 0 » M -02 M
ABC T EXPERIMENTAL
TYP COMMENTS
A13 F 3 15.00 U.
1961
0. 2000-
6000
R H - 0
FROM REVERSE
F 3 18.061 -1.
0. 2000-
6000
R M 02
FROM REVERSE
F 3 17.270 -1.
2000-
6000
R M N2tNOtN
FROM REVERSE
B13 F 3 14.67 0. -0.50 300-
1965 ( 0.09 I I 0.25 ) 10000
R EVALUATION
M - N2
F 3 14.67 u. -O.SO 300-
( 0.09 I ( 0.25 ) 10000
R EVALUATION
M - 02
F 3 IS.06 0. -0.50 300-
I 0.09 ) ( 0.25 ) 10000
R EVALUATION
M - 0
B19 F 3 16.28 -0.5
1963 I 0.3 )
R M - 02
F 3 16.85 -0.5
I 0.4 I
R M - 0
F 3 15.40 -0.5
( 1.0 )
R H « ANY
B27 F 3 16.3 -0.5
1965 I 0.2 I
R M 02
F 3 16.3 -0.5 0.
( 0.2 I
R M - N2
F 3 16.9 -0.5 0.
I 1.0 I
F 3 15.4 -0.5
I 1.0 )
R M « AR
B34 F 3 16.34 -0.5
1961
R M - 02
F 3 16.86 -0.5
F 3 15.54 -0.5
R H - ARtN2tNtNO
837 F 3 16.3 -1.5 0.
1964
I 0.5 )
R M - 02
F 3 16.9 -1.5
( 0.5 )
F 3 15.4 -1.5
( 0.5 I
R M - ALL OTHER
Cl F
1967
3 16.28 -0.5
I 1.0 I
R BASED ON XPTL DATA
H - ANY
C8 F 3 15.90
1968 ( 0.03 I
CIS F 3 14.00
1967
196 N2 OISCH-FLOH SYST X 20-50PCT H2 ADDED
METHOD AS IN REF CIS TO ACTIVE N2
M - H2
-1.42 196- N2 DISCH-FLOH SYST X 10) BY NO EMISSION
I 0.35 I 327 0-ATOMS FROM N»NO M N2
C15 F 3 14.96
1967
I 0.01 I
327 N2 OISCH-FLOU SYST X (01 BY NO EMISSION
0-ATOMS FROM N*NO M - N2
F 3 15.053
( 0.040)
X M N2
F 3 15.167
I 0.0311
274
X M N2
F 3 15.595
I 0.035)
196
X N N2
F 3 14.78
( 0.04
298
X M * AR
-------
5-163
322.
REF DID ORD
F 3 14.66
! 0.04 I
M - 02
T EXPERIMENTAL
298
TYP COMMENTS
X M - HE
F 3 15.338
I O.OS2)
196
X M - AR
016 F 3 14.5
19S9
SHOCK TUBE
DISSOC OF AIR
X SELECTED VALUE
COMPARED WITH EXPT
F5 F 3 15.0
1963
R APPROXIMATE
G20 F 3 18.14 -1.
1974 ( 0.3 I
H2 F 3 14.5
1967 ; 0.5 )
0.34 1000-
eooo
298-
5973
R H * 02
PREFERRED VALUE
BASED ON REF J4
R SURVEY
M > N2t AR, 02, 0
Jl F 3
1967
18.6 -l.u u.
| 1.0 )
1000-
3500
R EVALUATION
M « ANY
J4 F 3 17.106 -1.0 0.34 300-
1968
( 0.3 )
15000
R EVALUATION
M AR
F 3 18.139 -1.0 0.34 1000-
0.3 )
8000
R EVALUATION
M - 02
K3 F 3 13.34 0.
1964
R EVALUATION
M - AR
F 3 14.30 0.
R EVALUATION
M - 02
F 3 14.74 0.
R EVALUATION
H - 0
K43 F 3 14.3
1960
350
STATIC DISCHARGE
NO * 0 «FTER6LOM
K44 F 3 18.911 -1.22 0.
196$ ! 0.033)
K44 F 3 14.95
1965
F 3 14.67
1500- SHOCK TUBE STUDY X M 02
2800 X-RAY OENSITOMETRY
03/02/AR/KR MIX
I486 SHOCK TUBE STUDY X M - 02
X-RAY DENSITONETRY
03/02/AR MIX
1525 03/02/AR MIX X H 02
F 3 15.15
1545 03/02/AR MIX
X M - 02
F 3 15.00
1784 03/02/AR MIX
X M * 02
F 3 14.89
1843 03/02/AR MIX
X H - 02
F 3 14.56
2321 03/02/AR MIX
X M - 02
F 3 14.64
2511 03/02/AR MIX
X M 02
F 3 14.62
2822 03/02/AR MIX
X H 02
F 3 14.86
1799 03/02/KR MIX
X M 02
F 3 14.89
1919 03/02/KR MIX
X M » 02
F 3 14.99
2107 03/02/KR MIX
X H - 02
F 3 14.83
2115 03/02/KR MIX
X H 02
F 3 14.82
2251 03/02/KR MIX
X M - 02
-------
5-164
322. 0 » 0
REF OIK QUO ABC
f
F
K45 F
1970
F
F
M7 F
1959
M18 F
1961
M22 F
1963
F
F
F
F
F
M23 F
1962
F
N3 F
1964
RB F
1962
F
F
R9 F
1960
RIO f
1961
F
F
S33 F
1972
M17 F
1960
f
F
3 14.89
3 14.91
3 17.41 -0.93
1 0.33 )
3 15.99 -0.41
1 0.35 )
3 15.56 -0.64
1 0.20 I
3 14.92
3 16.02
3 15.01
1 0.06 )
3 14.51
3 14.51
1 0.06 I
3 15.15
1 0.06 1
3 15.48
1 0.06 1
3 15.48
( 0.06 1
3 15.21
( 0.08 )
3 15.12
( 0.08 1
3 15.0 u.
I 0.1 1
3 16.9 -l.u
1 0.1 1
3 17.20 -l.u
1 0.10 )
3 17.67 -l.u
( 0.06 )
3 14.99
( 0.04 )
3 17.67 -1.0
3 18.20 -1.0
3 18. 68 -1.0
3 13.431 g.
3 20.5 -1.5
3 19.8 -1.3
3 19.3 -1.3
u.
u.
u.
u.
u.
u.
u.
0.
0.
0.
0.
0.
0.
U.
» M -02 + M
T EXPERIMENTAL
2255 03/02/KR MIX
2571
300-
7500
300-
6000
300-
5000
3500
300
293
293
293
293
03/02/KR MIX
N2 DISCH-FLOM SYST
IN) BY NO TITR
DISCHARGE-FAST FLOW
02 FREE
CONOENSIBLES REMOVED
TYP COMMENTS
X M - 02
X M 02
R SUGGESTED
M - N2
R SUGGESTED
H - 02
R SUGGESTED
M - AR
X M 02
FROM REVERSE
N2
X M All
UPPER LIMIT
X M - C02
X M - SF6
300 DISCHARGE-FLOW SYST X M 02
ESR ATOM DETECTION
300
3500-
5500
3500-
5500
3500-
5500
3000-
6000
3000-
6000
3000-
6000
1300-
2500
4500-
7500
4500-
7500
4500-
7500
SHOCK TUBE STUDY
X-RAY OENSITOMETRY
DISCHARGE FLOW SYST
(01 BY TITRATION AND
AFTERGLOW
SHOCK TUBE STUDY
X-RAY DENSITOMETRY
IGNITION DELAY STUDY
SINGLE PULSE SHOCK
CH4/02/H2/AR MIXES
SHOCK TUBE N2/02 MIX
X N - AR
SUGGESTED
M - AR
1/T DEPEND. ASSUMED
FROM REVERSE
M - KR
1/T DEPEND. ASSUMED
FROM REVERSE
M - XE
1/T DEPEND. ASSUMED
FROM REVERSE
M ' XE
1/T DEPEND. ASSUMED
FROM REVERSE
M - 02
1/T DEPEND. ASSUMED
FROM REVERSE
M - 0
1/T DEPEND. ASSUMED
FROM REVERSE
N AR 23 RX MECH
LIT RATES VARIED
WITHIN ERROR LIMITS
BEST FIT TD XPT DATA
M - 0
BEST FIT TO XPT DATA
M - 02
BEST FIT TO XPT DATA
H - AR,N,N2,NO
-------
5-165
322. 0 tQ
REF DIR ORO
M34 F 3 13.4
1965
» 02
EXPERIMENTAL
2000 SHOCK TUBE STUDY
DILUTE 03/AR MIX
TYP COMMENTS
X H . AR
W36 f 3 14.97
1963 ( 0.08
2700 PRANOTL-MEYER EXPANS X M - 02
SHOCK-HEATED GAS
113 R 2 18.110 -0.5 118.0 2000-
1961
6000
R H 0
FROM EXPTL VALUE
R 2 21.164 -1.5 118.0 2000-
6000
R M 02
FROM EXPTL VALUE
R 2 20.374 -1.5 118.0
2000-
6000
R H N2fNO,U
AVG TWO VALUES
813 R 2 15.9*1 u. 118.6
1965
( 0.094)
300-
( 0.25 I 10000
R EVALUATION
M - N2
R 2 15.941 u. 118.6 300-
( 0.0941 I 0.25 I 15000
R EVALUATION
H 02
R 2 16.32
I 0.09 )
118.6 300-
I 0.25 ) 10000
R EVALUATION
H --0
B19 R 2 19.36 -l.u 118.
1963 ( 0.3 I
R M 02
R 2 19.93 -l.u 118.
( 0.4 )
R 2 18.48 -1.0 118.
I 1.0 )
R M ANY
834 R 2 17.7* -O.S 118.6
1961
R M 02
R 2 18.262 -0.5 118.6
R M > O
2 16.94Z -0.5 118.6
R M * ARtN2,NiNO
656 It 2 25.057 -2.5 118.
1964
R 2 18.56 -1. 11B.
ft 2 18.86 -1. 118.
R 2 18.56 -1. 118.
R 2 18.56 -1. 118.
19.51 -1. 118.
R 2 19.96 -1. 118.
C19 It 2 18.86 -1-0 118.
1967
2300- SHOCK TUBE
6000 (01 BY CHEHILUMINESC
R BASED ON XPTL DATA
M - ANY
REF N7
R BASED ON XPTL DATA
M AR
REF U7
R BASED ON XPTL DATA
H N2
REF M7
R BASED ON XPTL DATA
M - NO
REF H7
R BASED ON XPTL DATA
M N
REF H7
R BASED ON XPTL DATA
M - 02
REF U7
R BASED ON XPTL DATA
M - 0
REF W7
X M > N2
It 2 19.52 -1.0 118.
2300- SHOCK TUBE X M 02
6000 10) BY CHEMILUMINESC
C28 R 2 18.55 -l.U 118.0
1961 ( 0.08 )
3300- SHOCK TUBE 02/AR MIX X M AR
7500 UV ABSORPTION
R 2 19.95 -l.u 118.0
I 0.08 )
6000-
7000
X M 02
RELATIVE TO AR
R 2 19.03 118.0
I 0.08 )
63 R 2 21.551 -1.5 118.0
1962
5000-
7500
X M 0
RELATIVE TO AR
UPPER LIMIT
R SELECTED
M 02
-------
5-166
322. 0 + 0
KEF OU ORD ABC
R 2 18.32 -0.5 11B.U
02
EXPERIMENTAL
TYP COMMENTS
R SELECTED
M 0
R 2 21.076 -1.3 118.U
F5 R 2 13.8 u. 117.
1963
R M N2
EFF1C N2 ASSUMED
1/3 OF 02
R SUGGESTED
H2 R 2 16.0 U. 118.
1967
2773-
4973
R SURVEY
M - 02
R 2 16.5 0. 118.
2773-
4973
R M 0
R 2 16.40 -0.5 118.
2773-
17973
R M > Aft
J4 R 2 18.406 -1.0 118.7
1968 ( 0.3 )
300-
15000
R EVALUATION
M > AR
R 2 19.440 -1.0 118.7
I 0.3 )
1000-
8000
R EVALUATION
M 02
K3 R 2 16.40 -0.5 117.9
1964
R EVALUATION
M - AR
R 2 17.34 -0.5 117.9
R 2 17.79 -0.5 117.9
R BASED ON XPTL DATA
M - 02
REF W7, M8
R BASED ON XPTL DATA
M 0
K38 R 2 18.38 -l.u 118.0
1968
5000-
18000
R M « AR
RECOHMENDED-REF H33
R 2 24.98 -2.5 118.0
2600-
8000
R H 02
RECOMMENDED-REF K39
K45 R 2 18.05 -0.5 118.0
1970
2800-
SOOO
R RECOMMENDED
M 0
K45 R 2 25.36 -2.6 118.0
1970 ( 1.36 )
2600-
7000
R SUGGESTED
M 02
M7 R 2 25.05 -2.5 118.0
1959
M19 R 2 19.41 -1.0 118.0
1966
3000- SHOCK TUBE STUDY
5000
X H 02
CALC EFFIC BASED ON
COLLISION THEORY
C CALCULATED VALUE
M - ANY
$33 R 2 15.477 u. 124.2
1972
Tl R 2 18.5 -l.u 118.
1967
1300- IGNITION DELAY STUDY X M « AR 23 RX HECH
2500 SINGLE PULSE SHOCK LIT RATES VARIED
CH4/02/H2/AR MIXES WITHIN ERROR LIMITS
R SELECTED (REF B19I
M ANY
R 2 19.3 -l.u 118.
R SELECTED (REF 819)
H - 02
R 2 19.93 -l.u 118.
R SELECTED.-REF B19, MB
M . 0
V6 R 2 25.049 -2.50 117.
1961
R SELECTED (REF H7I
M 02
R 2 21.996 -1.50 117.
R 2 25.049 -2.50 117.
M24 R 2 11.267 0.5 95. I
1969 I 0.057)
M33 R 2 16.40 -0.5 118.u
1963 ( 0.06 I
U34 R 2 16.40 -0.5 118.0
1965 ( 0.06 )
2850- SHOCK TUBE STUDY
5550 02/AR MIX
ATOMIC RES ABS SPECT
1340- SHOCK TUBE STUDY
2920 DILUTE 03/AR MIX
5000- SHOCK TUBE STUDY
18000 02/AR MIX
R SELECTED
ASSUMED EFFIC
M > 0
R SELECTED
EFFIC-02
H - N, N2, NO
X H - Alt
X H « AR
EXPRESSION FITS DATA
FROM 5000-18000K
X M AR
-------
5-167
322. 0 +0 + M >02 + M
REF DIR ORO ABC T EXPERIMENTAL TYP COMMENTS
H35 R 2 14.46 0. 118.0 5000- SHOCK TUBE STUDY X M « AR
1962 ( 0.05 ) 11000 02/AR MIX DEVIATES FROM GIVEN
EXPRESS. ABOVE J1000
-------
6-1
6. EVALUATION OF PROBABLE
RELATIVE REACTION IMPORTANCE
This section contains a reaction-by-reaction evaluation of the
potential importance of each of the 322 reactions considered in this
study. It is extremely important to understand the groundrules for the
evaluation and scope of its applicability. The comments found in this
section refer only to the combustion of methane-air from 80-125% stoichio-
metric air, from 1500-2500K. This has been stated elsewhere in this
report, but bears repeating. The use of the information in this section
outside the limits mentioned, may be valid, but should be approached with
caution. Not only would the relative importance of the given reactions
require evaluation for specific conditions but other species and, there-
fore, additional reactions might have to be considered outside those
limits. And of course, other reaction systems such as higher hydrocarbons
of fuel-nitrogen containing systems would bear their own evaluations.
The headings in this section are as follows:
Headings
REACTION
Description
HR
NOTES
Written in both directions
Reaction number indicated
F = Forward
R = Reverse
AHr for both directions given at 2000K
(mid-range of 1500-2500K)
note: in the thermochemical tables
AHr298 is used in the expression
for log KC
A
B
C
*
COMMENTS
Probably important
Possibly important
Probably unimportant
Flag indicating reaction was rated
either A or B. This flag emphasizes
that both A and B reactions should
be considered in initial screening
Notes explaining reasons for ranking
-------
REACTION
HR NOTES
COMMENTS
IF. CH + CHN = CH2 + CN 20.3 B *
1R. CH2 + CN = CH + CHN -20.3 B *
2F. CH + CHO = CH2 + CO -85.5 C
2R. CH2 + CO = CH + CHO 85.5 C
3F. CH + CH20 = CHO + CH2 -15.6 C
3R. CHO + CH2 = CH + CH20 15.6 C
CONSIDER BOTH DIRECTIONS,
POSSIBLE ROLE CN/HCN
PROBABLY MINOR
FUEL RICH
FORWARD UNIMPORTANT FOR CHO REMOVAL
H, 0, HO MORE LIKELY REACTION PARTNERS
REVERSE ENDOTHERMIC
CH, CH2 MINOR RX PARTNERS FOR CHO, CH20
4F. CH + CH20 = CH3 * CO -108.6 C
4R. CH3 + CO = CH + CH20 108.6 C
CH MINOR RX PARTNER FOR CH20
REVERSE HIGHLY ENDOTHERMIC
5F. CH + CH3 = CH2 + CH2
5R. CH2 + CH2 = CH + CH3
7.4 C (CHMCH3) AND (CH2MCH2) LIKELY SMALL
-7.4 C POSSIBLE FUEL RICH
6F. CH + CH30 = CHO + CH3 -102.7 C
6R. CHO + CH3 = CH + CH30 102.7 C
LOW CONCENTRATIONS FORWARD
REVERSE HIGHLY ENDOTHERMIC
to
7F. CH + CH30 = CH2 + CH20 -79.6 C
7R. CH2 + CH20 = CH + CH30 79.6 C
LOW CONCENTRATIONS FORWARD
REVERSE ENDOTHERMIC
8F. CH + CH30 = CH4 + CO -191.3 C
8R. CH4 + CO = CH + CH30 191.3 C
NOT LIKELY TO BE ELEMENTARY REACTION
9F. CH + CH4 = CH2 + CH3 3.0 B *
9R. CH2 + CH3 = CH + CH4 -3.0 B *
10F. CH + C02 = CHO + CO -68.3 B *
10R. CHO » CO = CH + C02 68.3 C
CONSIDER BOTH DIRECTIONS, FUEL
CH4 STARTING MATL, CH3 INITIAL
THERMALLY NEUTRAL
CONSIDER FORWARD, FUEL RICH
(C02) HIGH, PATH FROM CH TO CO
REVERSE ENDOTHERMIC
RICH
INTERMED
-------
REACTION
HR
NOTES
COMMENTS
11F. CH + H + M = CH2 * M -105.1 C
11R. CH2 +M=CH+H+M 105.1 C
THIRD ORDERt LOW CONC IN FORWARD
REVERSE HIGHLY ENDOTHERMIC
12F. CH + HN = CHN + H
12R. CHN + H = CH + H,N
145.4 C LOW CONCENTRATIONS FORWARD
145.4 C HIGHLY ENDOTHERMIC REVERSE
13F. CH + HN = CH2 + N
13R. CH2 + N = CH + HN
26.2
26.2
C
C
LOW CONCENTRATIONS BOTH DIRECTIONS
14F. CH + HN = CM + H2
14R. CN + H2 = CH + HN
15F. CH + HNO = CHN * HO
15R. CHN + HO = CH + HNO
16F. CH + HNO
16R. CHO + HN
CHO + HN
CH + HNO
128.4 C LOW CONCENTRATIONS FORWARD
128.4 C REVERSE HIGHLY ENDOTHERMIC
FOUR-CENTER REACTION
123.8 C FORWARD POSSIBLE FOR NOH STRUCTURE
123.8 C CONCENTRATIONS LOW
REVERSE HIGHLY ENDOTHERMIC
-67.8 C LOW CONCENTRATIONS BOTH DIRECTIONS
67.8 C REVERSE ENDOTHERMIC
17F. CH + HNO
17R. CH2 + NO
CH2 + NO
CH + HNO
-52.4 C LOW CONCENTRATIONS FORWARD
52.4 C CH2 + NO = CH20 + N MORE LIKELY REVERSE
18F. CH + HNO = CH20 + N
18R. CH20 + N = CH * HNO
-78.4 C LOW CONCENTRATIONS FORWARD
78.4 C REVERSE ENDOTHERMIC
19F. CH + HNO = CN + H20
19R. CN + H2G = CH * HNO
20F. CH + HU = CHO + H
20R. CHO + H = CH + HO
121.7 C LOW CONCENTRATIONS FORWARD
121.7 C REVERSE HIGHLY ENDOTHtRMIC
FOUR-CENTER REACTION FOR NOH STRUCTURE
-89.4 B * CONSIDER FORWARD
89.4 C REVERSE ENDOTHERMIC
-------
REACTION
HR
NOTES
COMMENTS
21F.
21R.
22F.
22R.
23F.
23R.
24F.
24R.
25F.
25R.
26F.
26R.
27F.
27R.
28F.
28R.
29F.
29R.
30F.
30R.
CH +
CH2 4
CH +
CH20
CH +
CO +
CH +
CHO +
CH +
CH2+
CH +
CH20
CH +
CO +
CH +
C02 +
CH +
CH2 +
CH +
CH3 +
HO =
0 =
HO +
* M =
HO =
H2 =
H02 =
HO =
H02 =
02 =
H02 =
* 0 =
H02 =
H20 =
H02 =
H2 =
H2 =
H =
H2 +
M =
CH2 »
CH +
0
HO
M = CH20 + M
CH +
CO +
CH +
CHO
CH +
CH2 +
CH +
CH20
CH +
CO +
CH +
C02
CH +
CH2 +
CH +
HO + M
H2
HO
+ HO
H02
02
H02
+ 0
H02
H20
H02
* H2
H02
H
H2
M = CH3 * M
CH +
H2 + M
1
-1
-178
178
-178
178
-129
129
-54
54
-112
112
-233
233
-239
239
3
-3
-109
109
.2
.2
.9
.9
.3
.3
.6
.6
.7
.7
.8
.8
.4
.4
.7
.7
.4
.4
.2
.2
C
C
C
C
C
C
C
C
B *
C
C
C
C
C
C
C
B *
B *
C
C
CH » HO = CHO + H MORE LIKELY FORWARD
CH2 + 0 = CHO + H MORE LIKELY REVERSE
THIRD ORDERt LOW CONCENTRATI
REVERSE HIGHLY ENDOTHERMIC
NOT LIKELY TO BE ELEMENTARY
FOUR-CENTER REACTION
ON FORWARD
REACTION
CH + HO = CHO * H MORE LIKELY FORWARD
REVERSE HIGHLY ENDOTHERMIC
H-02 WEAKER THAN HO-0
CH + H02 = CH2 + H02 MORE LI
REVERSE HIGHLY ENDOTHERMIC
CONSIDER FORWARD
REVERSE ENDOTHERMIC
NOT LIKELY TO BE ELEMENTARY
FOUR-CENTER REACTION
KELY FORWARD
REACTION
CH + H02 = CH2 * 02 MORE LIKELY FORWARD
REVERSE HIGHLY ENDOTHERMIC
NOT LIKELY TO BE ELEMENTARY
REACTION
CONSIDER BOTH DIRECTIONS FUEL RICH
NOT LIKELY TO BE ELEMENTARY
REACTION
ON
-------
REACTION
HR NOTES
COMMENTS
31F. CH + H20 = CHO + H2
31R. CHO * H2 = CH + H20
74.5 C
74.5 C
NOT LIKELY TO BE ELEMENTARY REACTION
32F. CH + H20 = CH2+ HO
32R. CH2 + HO = CH * H20
18.2 B * CONSIDER BOTH DIRECTIONS FUEL RICH
18.2 B *
33F. CH + H20 = CH20 + H
33R. CH20 + H = CH + H20
55.6
55.6
C
C
NOT LIKELY TO BE ELEMENTARY REACTION
34F. CH + H20 = CH3 + 0
34R. CH3 + 0 = CH + H20
12.0
12.0
C
C
NOT LIKELY TO BE ELEMENTARY REACTION
35F. CH + H20 + M = CH30 + M -81.1 C
35R. CH30 + M = CH + H20 + M 81.1 C
36F. CH + N + M = CHN + M -224.3 C
36R. CHN +M=CH+N+M 224.3 C
NOT LIKELY TO BE ELEMENTARY REACTION
THIRD ORDERt LOW CONCENTRATIONS FORWARD
REVERSE HIGHLY ENDOTHERMIC
ON
Ln
37F. CH + N = CN + H
37R. CN + H = CH + N
98.9 C LOW CONCENTRATIONS FORWARD
98.9 C REVERSE HIGHLY ENDOTHERMIC
38F. CH + NO
38R. CHN + 0
CHN + 0
CH + NO
70.2 B * CONSIDER FORWARD FUEL RICH
70.2 C REVERSE ENDOTHERMIC
39F. CH + NO
39R. CHO * N
CHO + N
CH * NO
41.6 B * CONSIDER FORWARD FUEL RICH
41.6 C REVERSE ENDOTHERMIC
40F. CH + NO
40R. CN + HO
CN + HO
CH + NO
51.1
51.1
C
C
FOUR-CENTER REACTION
-------
REACTION
HR NOTES
COMMENTS
41F. CH + NO = CO + HN
41R. CO » HN = CH + NO
101.0 C
101.0 C
FOUR-CENTER REACTION
42F. CH + N02 = CHN + 02
42R. CHN * 02 = CH + N02
117.5 C NOT LIKELY TO BE ELEMENTARY REACTION
117.5 C
43F. CH + N02 = CHO + NO
43R. CHO + NO = CH + N02
121.0 C
121.0 C
LOW CONCENTRATIONS FORWARD
REVERSE HIGHLY ENDOTHERMIC
44F. CH + N02 = CN * H02
44R. CN + H02 = CH + N02
-42.4 C NOT LIKELY TO BE ELEMENTARY REACTION
42.4 C
45F. CH + N02 = CO * HNO
45R. CO + HNO = CH + N02
154.1 C
154.1 C
LOW CONCENTRATIONS FORWARD
REVERSE HIGHLY ENDOTHERMIC
46F. CH * N02 = C02 * HN
46R. C02 + HN = CH * IM02
153.7 C NOT LIKELY TO BE ELEMENTARY REACTION
153.7 C
47F. CH + N2 = CHN + N
47R. CHN + N = CH + N2
48F. CH + N2 = CN + HN
48R. CN + HN = CH * N2
49F. CH + N20 = CHN + NO
49R. CHN + NO = CH + N20
5.1 A * FORWARD IS LOW ENERGY N-N BREAKING
-5.1 B * POTENTIALY VERY IMPORTANT
SPIN RETARDED
CONSIDER BOTH DIRECTIONS
51.6 B * FOUR-CENTER REACTION
-51.6 B * FORWARD IS MODERATE ENERGY N-N BREAKING
CONSIDER BOTH DIRECTIONS FOR SCREENING
109.1 C LOW CONCENTRATIONS FORWARD
109.1 C REVERSE HIGHLY ENDOTHERMIC
50F. CH + N20 = CHO * N2
50R. CHO * N2 = CH + N20
155.8 C LOW CONCENTRATIONS FORWARD
155.8 C REVERSE HIGHLY ENDOTHERMIC
-------
REACTION
HR NOTES
COMMENTS
51F. CH + N20 = CN + HMD
SIR. CN + HNO = CH + N20
-36.4
36.4
C
C
LOW CONCENTRATIONS BOTH DIRECTIONS
52F. CH + 0 +' M = CHO + M -195.7 C
52R. CHO + M = CH + 0 + M 195.7 C
THIRD ORDERt LOW CONCENTRATIONS FORWARD
REVERSE HIGHLY ENDOTHERMIC
53F. CH + 0 = CO + H
53R. CO + H = CH + 0
176.2 B * CONSIDER FORWARD
176.2 C REVERSE HIGHLY ENDOTHERMIC
54F. CH -f 02 = CHO + 0
54R. CHO -i- 0 = CH + 02
-73.7 B * CONSIDER FORWARD
73.7 C REVERSE ENDOTHERMIC
55F. CH + 02 = CO + HO
55R. CO + HO = CH * 02
56F. CH * 02 = C02 + H
56R. C02 + H = CH + 02
160.4
160.4
181.6
181.6
C
C
C
C
FOUR-CENTER REACTION
CH + 02 = CHO + 0 MORE LIKELY FORWARD
REVERSE HIGHLY ENDOTHERMIC
NOT LIKELY TO BE ELEMENTARY REACTION
57F. CHN + M = CN + H + M 125.4 C
57R. CN 4- H + M = CHN + M -125.4 C
FORWARD HIGHLY ENDOTHERMIC
THIRD ORDER, LOW CONCENTRATIONS REVERSE
58F. CHN + CHO = CH20 + CN 35.9 C
58R. CH20 + CN = CHN + CHO -35.9 C
LOW CONCENTRATIONS, STERIC HINDRANCE
59F. CHN + CH2 = CH3 + CN
59R. CH3 * CN = CHN + CH2
12.9 B * CONSIDER FUEL RICH
12.9 B * REVERSE POSSIBLE DURING EARLY STAGES
60F. CHN + CH20 = CH30 + CN 99.9 C
60R. CH30 * CN = CHN * CH20 -99.9 C
STERIC HINDRANCE, LOW CONCENTRATIONS
BOTH DIRECTIONS
-------
REACTION
HR NOTES
COMMENTS
61F.
61R.
62F.
62R.
63F.
63R.
64F.
64R.
65F.
65R.
66F.
66R.
67F.
67R.
68F.
68R.
69F.
69R.
70F.
70R.
CHN
CH4
CHN
CHO
CHN
CH2
CHN
CN +
CHN
CH2
CHN
CH2
CHN
CH20
CHN
CHO
CHN
CH2
CHN
CH20
+ CH3
+ CN =
+ CO =
+ CN =
+ H =
+ N =
* H =
H2 =
+ HN =
+ N2 =
+ HNO
* N20
+ HNO
+ N2
* HO =
+ HN =
+ HO =
+ NO =
+ HO =
+ N =
= CH4
CHN +
CHO +
CHN *
CH2 *
CHN *
+ CN
CH3
CN
CO
N
H
CN * H2
CHN + H
CH2 +
CHN *
= CH2
= CHN
= CH20
= CHN
CHO +
CHN +
CH2 +
CHN +
CH20
CHN +
N2
HN
+ N20
+ HNO
+ N2
+ HNO
HN
HO
NO
HO
* N
HO
17
-17
105
-105
119
-119
17
-17
-31
31
56
-56
-83
83
56
-56
71
-71
45
-45
.3
.3
.9
.9
.2
.2
.0
.0
.3
.3
.8
.8
.5
.5
.0
.0
:1
.4
B
B
C
C
c
c
B
B
C
B
C
C
C
C
C
C
C
C
C
C
CONSIDER BOTH DIRECTIONS FUEL RICH
REVERSE POSSIBLE DURING EARLY STAGES
FORWARD HIGHLY ENDOTHERMIC
LOW CONCENTRATIONS REVERSE
FORWARD HIGHLY ENDOTHERMIC
LOW CONCENTRATIONS REVERSE
CONSIDER BOTH DIRECTIONS FUEL RICH
LOW CONCENTRATIONS FORWARD
CONSIDER REVERSE FOR N-N BREAKING
FOUR-CENTER REACTION
LOW CONCENTRATIONS BOTH DIRECTIONS
FOUR-CENTER REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
FOUR-CENTER REACTION
FORWARD ENDOTHERMIC
LOW CONCENTRATIONS REVERSE
FOUR-CENTER REACTION
FORWARD ENDOTHERMIC
CH2 + NO = CH20 + N MORE LIKELY REVERSE
NOT LIKELY TO BE ELEMENTARY REACTION
00
-------
REACTION
HR NOTES
COMMENTS
71F.
71R.
72F.
72R.
73F.
73R.
74F.
74R.
75F.
75R.
76F.
76R.
77F.
77R.
78F.
78R.
79F.
79R.
80F.
80R.
CHN + HO =
CN + H20 =
CHN +
CHO +
CHN +
CH2 +
CHN +
CH20 -i
CHN +
CH2 +
CHN +
CH3 +
CHN +
CH2 +
CHN *
CH20
CHN *
CH3 +
CHN +
CH30
H02
HNO
H02
N02
H02
H NO
H2 =
HN =
H2 =
HN =
H20
HNO
H20
+ HN
H20
NO
H20
+ N
CN + H20
CHN + HO
= CHO <
= CHN H
H HNO
^ H02
= CH2 » N02
= CHN * H02
= CH20
= CHN
- CH2 +
= CHN +
= CH3 *
= CHN +
= CH2
= CHN
= CH20
= CHN
= CH3
= CHN +
= CH30
= CHN +
+ NO
* H02
HN
H2
HN
H2
+ HNO
+ H20
+ HN
+ H20
+ NO
H20
+ N
H20
2.1
-2.1
-5.8
5.8
62.8
-62.8
-42.6
42.6
148.8
-148.8
115.1
-115.1
142.0
-142.0
89.8
-89.8
82.2
-82.2
143.3
-143.3
B *
B *
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
CONSIDER BOTH DIRECTIONS FUEL RICH
UNLIKELY TO BE ELEMENTARY REACTION
FOUR-CENTER REACTION
STERIC HINDRANCE
FOUR-CENTER REACTION
FORWARD ENDOTHERMIC
LOW CONCENTRATIONS REVERSE
NOT LIKELY TO BE ELEMENTARY REACTION
FOUR-CENTER REACTION
C-N BOND STRONG
REVERSE HIGHLY ENDOTHERMIC
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
STERIC HINDRANCE
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
ON
VO
-------
REACTION
81F. CHN + N = CN + HN
81R. CN + HN = CHN * N
HR NOTES COMMENTS
46.5 C LOW CONCENTRATIONS BOTH DIRECTIONS
46.5 C
82F. CHN + NO = CHO + N2
82R. CHO + N2 = CHN * NO
83F. CHN + NO = CN + HNO
83R. CN * HNO = CHN + NO
46.7 C FOUR-CENTER REACTION
46.7 C LOW CONCENTRATIONS FORWARD
REVERSE ENDOTHERMIC
72.7 C FORWARD ENDOTHERMIC
72.7 C LOW CONCENTRATIONS REVERSE
84F. CHN + N02 = CHO + N20 -11.8 C
84R. CHO + N20 = CHN + N02 11.8 C
FOUR-CENTER REACTION
STERIC HINDRANCE
85F. CHN + 0 = CHO + N
85R. CHO + N = CHN + 0
28.6 B * CONSIDER BOTH DIRECTIONS FUEL RICH
28.6 B *
ON
I
86F. CHN * 0
86R. CN + HO
CN + HO
CHN » 0
19.1 B * CONSIDER BOTH DIRECTIONS FUEL RICH
19.1 B * NOTE- CNO POSSIBLE PRODUCT REVERSE
87F. CHN + 0
87R. CO + HN
CO + HN
CHN * 0
30.8 C
30.8 C
NOT LIKELY TO BE ELEMENTARY REACTION
88F. CHN + 02
88R. CHO * NO
CHO + NO
CHN * 02
-3.4 C FOUR-CENTER REACTION
3.4 C CHN AND 02 NOT LIKELY HI SIMULTANEOUSLY
89F. CHN + 02
89R. CN + H02
CN * H02
CHN + 02
75.1 C FORWARD ENDOTHERMIC
75.1 C LOW CONCENTRATIONS REVERSE
90F. CHN + 02
90R. CO * HNO
CO + HNO
CHN * 02
36.6 C
36.6 C
NOT LIKELY TO BE ELEMENTARY REACTION
-------
REACTION
HR NOTES
COMMENTS
91F. CHN + 02 = C02 + HN
91R. C02 * HN = CHN + 02
-36.2
36.2
C
C
NOT LIKELY TO BE ELEMENTARY REACTION
92F. CHO + M = CO+H + M
92R. CO + H + M - CHO + M
19.6 A *
-19.6 C
WEAK BOND FORWARD
THIRD ORDER REVERSE
93F. CHO + CHO = CH2 + C02 -17.3 C
93R. CH2 + C02 = CHO + CHO 17.3 C
FOUR-CENTER REACTION
STERIC HINDRANCE
94F. CHO + CHO = CH20 + CO
94R. CH20 + CO = CHO + CHO
-69.9 B *
69.9 C
WEAK BOND FORWARD
REVERSE ENDOTHERMIC
95F. CHO « CH2 = CH3 + CO
95R. CH3 + CO = CHO + CH2
-93.0 B *
93.0 C
WEAK BOND FORWARD
REVERSE ENDOTHERMIC
96F. CHO * CH20 = CH3 + C02 -40.3 C
96R. CH3 + C02 = CHO + CH20 40.3 C
NOT LIKELY TO BE ELEMENTARY REACTION
97F. CHO * CH20 = CH30 + CO -5.9 C
97R. CH30 + CO = CHO * CH20 5.9 C
LARGE MOLECULESt LOW CONCENTRATIONS
LIKELY TO BE UNIMPORTANT
98F. CHO + CH3 = CH2 * CH20 23.0 B *
98R. CH2 * CH20 = CHO + CH3 -23.0 C
99F. CHO + CH3 = CH4 4- CO -88.6 B *
99R. CH4 + CO = CHO * CH3 88.6 C
RETAIN FORWARD FOR COMPARISON WITH
CHO + CH3 * CH4 + CO
LOW CONCENTRATIONS REVERSE
WEAK BOND FORWARD
REVERSE ENDOTHERMIC
100F. CHO + CH30 = CH20 * CH20 -64.0 C
100R. CH20 * CH20 = CHO + CH30 64.0 C
LARGE MOLECULES, LOW CONCENTRATIONS
LIKELY TO BE SLOW
-------
REACTION HR
101F. CHO + CH30 = CH4 + C02 -123.0
101R. CH4 + C02 = CHO + CH30 123.0
NOTES COMMENTS
C NOT LIKELY TO BE ELEMENTARY REACTION
C
102F. CHO + CH4 = CH2 + CH30 105.7 C
102R. CH2 + CH30 = CHO + CH4 -105.7 C
NOT LIKELY TO BE ELEMENTARY REACTION
103F. CHO + CH4 = CH20 + CH3 18.6 B * CONSIDER BOTH DIRECTIONS FUEL RICH
103R. CH20 + CH3 = CHO + CH4 -18.6 B *
104F.
104R.
105F.
105R.
106F.
106R.
107F.
107R.
108F.
108R.
109F.
109R.
110F.
110R.
CHO
CH2
CHO
CH20
CHO
CO +
CHO
CH2
CHO
CH20
CHO
CN +
CHO
CH2
+ H =
+ 0 =
+ H +
+ M
+ H =
H2 =
+ HN
+ NO
+ HN
+ N
+ HN
H20
+ HNO
+ N02
CH2 +
CHO +
0
H
M = CH20 * M
= CHO + H + M
CO +
CHO +
= CH2
= CHO
= CH20
= CHO
= CN +
= CHO
= CH2
= CHO
H2
H
+ NO
+ HN
+ N
* HN
H20
* HN
+ N02
* HNO
90.
-90.
-89.
89.
-88.
88.
15.
-15.
-10.
10.
-53.
53.
68.
-68.
6
6
5
5
9
9
A
6
6
9
9
6
6
C
B *
C
C
A *
C
C
C
C
C
C
C
C
C
FORWARD ENDOTHERMIC
CONSIDER REVERSE
THIRD ORDER FORWARD
REVERSE ENDOTHERMIC
CONSIDER FORWARD FOR CHO
REVERSE ENDOTHERMIC
FOUR-CENTER REACTION
LOW CONCENTRATIONS BOTH D
LOW CONCENTRATIONS BOTH D
BREAKDOWN
IRECTIONS
IRECTIONS
NOT LIKELY TO BE ELEMENTARY REACTION
FOUR-CENTER REACTION
ENDOTHERMIC FORWARD
M
Isi
LOW CONCENTRATIONS REVERSEHO AND CH20
-------
REACTION
HR
NOTES
COMMENTS
111F. CHO + HNO = CH20 + NO -36.8 C
111R. CH20 + NO = CHO + HNO 36.8 C
UNIMPORTANT PATH BETWEEN CHO AND CH20
BETWEEN HNO AND NO
112F. CHO + HO
112R. CH2 + 02
113F. CHO -i- HO
113R. CH20 -» 0
CH2 + 02
CHO + HO
CH20 + 0
CHO + HO
74.9 C FOUR CENTER REACTION
-74.9 C CHO + HO = CO + H20 FASTER THAN FORWARD
CH2 + 02 = CH20 + 0 FASTER THAN REVERSE
16.8 C CHO + HO = CO + H20 FASTER THAN FORWARD
-16.8 A * CONSIDER REVERSE FOR CH20 BREAKDOWN
114F. CHO + HO = CO + H20
114R. CO + H20 = CHO + HO
103.8 A * CONSIDER FORWARD FOR CHO BREAKDOWN
103.8 C REVERSE HIGHLY ENDOTHERMIC
115F. CHO + HO = C02 + H2 -110.0 C
115R. C02 * H2 = CHO + HO 110.0 C
116F. CHO + H02 = CH20 + 02 -39.1 B *
116R. CH20 + 02 = CHO + H02 39.1 B *
FOUR-CENTER REACTION
CHO + HO « CO + H20 FASTER THAN FORWARD
REVERSE HIGHLY ENDOTHERMIC
CONSIDER BOTH DIRECTIONS
117F. CHO »- H02 = C02 + H20 -165.1 C
117R. C02 * H20 = CHO + H02 165.1 C
118F. CHO + H2 = CH2 + HO 92.8 C
118R. CH2 * HO = CHO + H2 -92.8 C
119F. CHO + H2 = CH20 + H 19.0 B *
119R. CH20 * H = CHO + H2 -19.0 A *
120F. CHO + H2 = CH3 + 0 86.5 C
120R. CH3 + 0 = CHO * H2 -86.5 C
FOUR-CENTER REACTION
CHO * H02 = CH20 + 02 FASTER THAN FWD
REVERSE HIGHLY ENDOTHERMIC
FOUR-CENTER REACTION
FORWARD ENDOTHERMIC
CH3 + 0 AND CH20 + 0 MORE LIKELY
PRODUCTS FROM REVERSE
CONSIDER BOTH DIRECTIONS
REVERSE MORE LIKELY TO BE IMPORTANT
CH20 BREAKDOWN
NOT LIKELY TO BE ELEMENTARY REACTION
-------
REACTION
HR
NOTES
121F.
121R.
122F.
122R.
123F.
123R.
124F.
124R.
125F.
125R.
126F.
126R.
127F.
127R.
128F.
128R.
129F.
129R.
130F.
130R.
CHO *
CH30
CHO 4
CH2 +
CHO +
CH20
H2 *
+ M =
H20
H02
H20
+ HO
CHO + H20
CH3 + 02 =
CHO +
CH30
CHO +
CN +
CHO +
CO +
CHO *
CN +
CHO +
CO +
CHO +
C02 +
H20
+ 0 =
N =
HO =
N =
HN =
NO =
H02 =
NO =
HNO =
NO =
HN =
M = CH30 +
CHO + H2 +
= CH2
= CHO
* H02
+ H20
= CH20 4 HO
= CHO 4 H20
= CH3
CHO +
= CH30
CHO +
* 02
H20
+ 0
H20
CN + HO
CHO + N
CO + HN
CHO + N
CN +
CHO +
CO +
CHO +
C02 +
CHO +
H02
NO
HNO
NO
HN
NO
M -6.
M 6.
147.
-147.
33.
-33.
85.
-85.
114.
-114.
-9.
9.
-59.
59.
78.
-78.
-33.
33.
-32.
32.
5
5
8
8
8
8
7
7
6
6
5
5
4
4
5
5
2
2
7
7
C
C
c
c
c
A
C
C
c
c
c
c
B
C
C
C
B
B
C
C
COMMENTS
NOT LIKELY TO BE ELEMENTARY REACTION
FOUR-CENTER REACTION
FORWARD HIGHLY ENDOTHERMIC
CH2 + H02 = CH3 + 02 FASTER THAN REVERSE
CHO +M=CO+H+M FASTER THAN FORWARD
CONSIDER REVERSE FOR CH20 BREAKDOWN
;O
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
CONSIDER FORWARD
REVERSE ENDOTHERMIC
NOT LIKELY TO BE ELEMENTARY REACTION
CONSIDER BOTH DIRECTIONS
PROBABLY NOT MAJOR IMPORTANCE
FOUR-CENTER REACTION
CHO + NO = CO + HNO FASTER THAN FORWARD
REVERSE MINOR
-------
REACTION
HR
NOTES
COMMENTS
131F.
131R.
132F.
132R.
133F.
133R.
134F.
134R.
135F.
135R.
136F.
136R.
137F.
137R.
138F.
138R.
139F.
139R.
140F.
140R.
CHO
C02
CHO
CN 4
CHO
CO +
CHO
C02
4- N02 =
4- HNO =
4 N2 =
HNO =
= C02 4-
= CHO +
HNO
N02
CN 4- HNO
CHO 4- N2
4- 0 = CO 4- HO
HO = CHO 4- 0
+ 0 = C02 4- H
4 H = CHO 4- 0
CHO + 02 =
CO 4 H02 =
CHO
C02
CH2
CH4
4 02 =
4- HO =
4 CH20
4 CO =
CH2 4- CH30
CH20 4 CH3
CH2
CH3
4 CH4
4- CH3
CH2 4 C02
CH20 4 CO
CO 4- H02
CHO 4- 02
C02 4 HO
CHO 4- 02
= CH4
CH2 4
= CH20
= CH2
= CH3 4
= CH2 4-
= CH20
= CH2 4
4- CO
CH20
4- CH3
4- CH30
CH3
CH4
4 CO
C02
-85.
85.
119.
-119.
-86.
86.
-107.
107.
-30.
30.
-92.
92.
-111.
111.
-87.
87.
-4.
4.
9
9
4
4
8
8
9
9
8
8
2
2
6
6
0
0
A
A
-52.7
52.7
C
C
C
C
A
C
B
C
B
B
C
C
C
C
C
C
B
B
C
C
*
*
*
*
*
*
FOUR-CENTER
STERIC HINDRANCE
NOT LIKELY TO BE ELEMENTARY REACTION
CONSIDER FORWARD FOR CHO BREAKDOWN
REVERSE ENDOTHERMIC
CONSIDER FORWARD
REVERSE HIGHLY ENDOTHERMIC
CONSIDER BOTH DIRECTIONS
FORWARD FOR CHO BREAKDOWN
REVERSE PROBABLY LESS IMPORTANT
FOUR-CENTER REACTION
CHO + 02 = CO 4 H02 FASTER THAN FORWARD
REVERSE ENDOTHERMIC
NOT LIKELY TO BE ELEMENTARY REACTION
LARGE MOLECULES, LOW CONCENTRATIONS
REVERSE ENDOTHERMIC
LIKELY TO BE UNIMPORTANT
CONSIDER BOTH DIRECTIONS FUEL RICH
MAY BE IMPORTANT EARLY STAGES
FORWARD RX UNIMPORTANT FOR CH2 OR C02
REVERSE ENDOTHERMIC
I-1
Ln
-------
REACTION
HR NOTES
COMMENTS
141F.
141R.
142F.
142R.
143F.
143R.
144F.
145F.
145R.
146F.
146R.
147F.
147R.
148F.
148R.
149F.
149R.
150F.
150R.
CH2 +
CH3 +
CH2 +
CH3 +
CH2 +
CH20
CH2 +
CH3 +
CH2 +
CH30
CH2 +
CH20
CH2 +
CH3 -f
CH2 +
CH30
CH2 +
CH20
CH2 +
CH3 *
H +
M =
HN =
N =
HNO
+ HN
HNO
NO =
HNO
+ N =
HO =
+ H =
HO =
0 =
HO +
4- M =
H02
* HO
H02
02 =
M = CH3 + M
CH2 + H + M
CH3 * N
CH2 + HN
= CH20 + HN
= CH2 + HNO
= CH3 + NO
CH2 + HNO
= CH30 * N
CH2 + HNO
CH20 + H
CH2 +^HO
CH3 + 0
CH2 * HO
M = CH30 + M
CH2 * HO + M
= CH20 * HO
= CH2 + H02
= CH3 + 02
CH2 + H02
-112
112
-33
33
-52
52
-59
59
1
-1
-73
73
-6
6
-99
99
-114
114
-62
62
.5
.5
.6
.6
.2
.2
.8
.8
.2
.2
.8
.8
.2
.2
.3
.3
.0
.0
.2
.2
C
C
C
C
C
C
C
C
C
C
B
C
B
B
C
C
C
C
B
C
*
#
*
*
THIRD ORDER, LOW CONCENTRATIONS FORWARD
REVERSE HIGHLY ENDOTHERMIC
LOW CONCENTRATIONS BOTH DIRECTIONS
CH2 + HNO = CH3 + NO MORE LIKELY FORWARD
REVERSE ENDOTHERMIC
FORWARD RX UNIMPORTANT FOR CH2 OR HNO
REVERSE ENDOTHERMIC
NOT LIKELY TO BE ELEMENTARY REACTION
CONSIDER FORWARD
REVERSE ENDOTHERMIC
CONSIDER BOTH DIRECTIONS
REVERSE FOR CH3 BREAKDOWN
CH20 + H OR CH3 + 0 MORE LIKELY PRODUCTS
REVERSE ENDOTHERMIC
CH2 + H02 = CH3 + 02 MORE LIKELY FORWARD
REVERSE HIGHLY ENDOTHERMIC
CONSIDER FORWARD
REVERSE ENDOTHERMIC
-------
REACTION HR
151F. CH2 + H02 = CH30 + 0 -33.2
151R. CH30 + 0 = CH2 + H02 33.2
NOTES COMMENTS
C NOT LIKELY TO BE ELEMENTARY REACTION
C
152F. CH2 + H2 = CH3 + H
152R. CH3 * H = CH2 + H2
-4.1 B * CONSIDER BOTH DIRECTIONS
4.1 A * REVERSE FOR CH3 BREAKDOWN FUEL RICH
153F. CH2 + H2 + M = CH4 + M -112.2 C
153R. CH4 + M = CH2 + H2 + M 112.2 C
NOT LIKELY TO BE ELEMENTARY REACTION
154F. CH2 + H20 = CH20 + H2 -58.9 C
154R. CH20 + H2 « CH2 + H20 58.9 C
NOT LIKELY TO BE ELEMENTARY REACTION
MIGHT BE FOUR-CENTER STERICALLY HINDERED
155F. CH2 * H20 = CH3 * HO
155R. CH3 + HO = CH2 + H20
156F.
156R.
157F.
157R.
158F.
158R.
159F.
159R.
160F.
160R.
CH2 + H20
CH30 + H
CH2 + H20
CH4 * 0 =
CH2 » N =
CN + H2 =
CH2 + NO
CH20 + N
CH2 4- NO
CN + H20
= CH30 + H
= CH2 + H20
= CH4 + 0
CH2 + H20
CN * H2
CH2 + N
= CH20 + N
= CH2 + NO
= CN + H20
= CH2 * NO
24.0
-24.0
9.0
-9.0
-102.3
102.3
-26.0
26.0
-69.3
69.3
C
C
C
C
C
C
B *
C
C
C
10.8 B * CONSIDER BOTH DIRECTIONS
-10.8 A * REVERSE FOR CH3 BREAKDOWN
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
CONSIDER FORWARD FUEL RICH
REVERSE NOT LIKELY TO BE IMPORTANT
NOT LIKELY TO BE ELEMENTARY REACTION
I
I-1
-J
-------
REACTION
HR NOTES
COMMENTS
161F. CH2 + N02 = CH20 + NO -105.4 C
161R. CH20 » NO = CH2 + N02 105.4 C
LOW CONCENTRATIONS FORWARD
REVERSE HIGHLY ENDOTHERMIC
162F. CH2 + N20 = CH20 + N2 -140.2 C
162R. CH20 + N2 = CH2 + N20 140.2 C
LOW CONCENTRATIONS FORWARD
REVERSE HIGHLY ENDOTHERMIC
163F. CH2 + 0 + M = CH20 + M -180.1 C
163R. CH20 + M = CH2 « 0 + M 180.1 C
THIRD ORDER FORWARD
REVERSE HIGHLY ENDOTHERMIC
164F. CH2 + 0 = CO + H2
164R. CO + H2 = CH2 + 0
179.5 C
179.5 C
NOT LIKELY TO BE ELEMENTARY REACTION
165F. CH2 + 02 = CH20 + 0
165R. CH20 « 0 = CH2 + 02
166F. CH2 + 02
166R. CO + H20
CO * H20
CH2 + 02
-58.1
58.1
178.6
178.6
B * CONSIDER FORWARD
C REVERSE ENDOTHERMIC
C
C
NOT LIKELY TO BE ELEMENTARY REACTION
I
I-1
00
167F. CH2 * 02 = C02 + H2
167R. C02 + H2 = CH2 * 02
184.9 C
184.9 C
NOT LIKELY TO BE ELEMENTARY REACTION
168F. CH20 * M = CO + H2 + M 0.6 C
168R. CO + H2 + M * CH20 + M -0.6 C
NOT LIKELY TO BE ELEMENTARY REACTION
169F. CH20 * CH20 = CH4 + C02 -59.0 C
169R. CH4 + C02 = CH20 + CH20 59.0 C
NOT LIKELY TO BE ELEMENTARY REACTION
170F. CH20 + CH4 = CH3 + CH30 82.7 C
170R. CH3 + CH30 = CH20 * CH4 -82.7 C
FORWARD ENDOTHERMIC
LARGE MOLECULES LOW CONCENTRATIONS REV
-------
REACTION
HR NOTES
COMMENTS
171F. CH20 + H = CH3 + 0
171R. CH3 + 0 " CH20 + H
67.6 C FORWARD ENDOTHERMIC
-67.6 A * CONSIDER REVERSE FOR CH3 BREAKDOWN
172F. CH20 + H + M = CH30 * M -25.5 B * CONSIDER BOTH DIRECTIONS
172R. CH30 + M = CH20 + H + M 25.5 B * REVERSE MAY BE IMPORTANT CH30 BREAKDOWN
173F. CH20 * HN = CH3 + NO
173R. CH3 + NO = CH20 + HN
7.6
7.6
C
C
FOUR-CENTER, STERIC HINDRANCE
174F. CH20 + HN = CH30 + N 53.4 C
174R. CH30 + N = CH20 + HN -53.4 B *
175F. CH20 + HNO = CH3 + N02 45.6 C
175R. CH3 + N02 = CH20 + HNO -45.6 C
176F. CH20 * HNO = CH30 + NO 27.2 C
176R. CH30 + NO = CH20 * HNO -27.2 C
FORWARD ENDOTHERMIC
CONSIDER REVERSE FOR CH30 BREAKDOWN
PROBABLY MINOR
FOUR-CENTER, STERIC HINDRANCE
LOW CONCENTRATIONS BOTH DIRECTIONS
M
VO
177F. CH20 + HO = CH3 + 02
177R. CH3 + 02 = CH20 + HO
178F. CH20 + HO = CH30 + 0
178R. CH30 + 0 = CH20 + HO
51.8 C FORWARD ENDOTHERMIC
51.8 B * CONSIDER REVERSE FOR CH3 BREAKDOWN
FOUR-CENTER REACTION
80.8 C FORWARD ENDOTHERMIC
80.8 B * CONSIDER REVERSE FOR CH30 BREAKDOWN
179F. CH20 + H02 = CH30 + 02 24.9 C
179R. CH30 + 02 = CH20 + H02 -24.9 B *
LOW CONCENTRATIONS FORWARD
CONSIDER REVERSE FOR CH30 BREAKDOWN
180F. CH20 + H2 = CH3 + HO
180R. CH3 * HO = CH20 + H2
69.7 C FOUR-CENTER REACTION
69.7 C FORWARD ENDOTHERMIC
CH3 + HO = CH4 * 0 AND
CH3 * HO = CH2 * H20 MORE LIKELY REVERSE
-------
REACTION
HR NOTES
COMMENTS
181F. CH20 + H2 = CH30 + H
181R. CH30 + H = CH20 + H2
83.0 C FORWARD ENDOTHERMIC
83.0 B * CONSIDER REVERSE FOR CH30 BREAKDOWN
182F. CH20 + H2 = CH4 + 0
182R. CH4 + 0 = CH20 + H2
67.9
67.9
C
C
NOT LIKELY TO BE ELEMENTARY REACTION
183F. CH20 + H20 = CH3 + H02 124.8 C
183R. CH3 + H02 = CH20 + H20 -124.8 C
FOUR-CENTtR REACTION
STERIC HINDRANCE
184F. CH20 + H20 = CH30 + HO
184R. CH30 + HO = CH20 + H20
97.8 C FORWARD ENDOTHERMIC
97.8 B * CONSIDER REVERSE FOR CH30 BREAKDOWN
185F.
185R.
186F.
186R.
187F.
187R.
188F.
188R.
189F.
189R.
190F.
190R.
CH20
CH4 +
CH20
CN +
CH20
CO +
CH20
C02 +
CH20
C02 +
CH3 +
CH30
+ H20
02 =
+ N =
H20 =
+ 0 =
H20 =
+ 0 =
H2 =
+ 02 =
H20 =
C02 =
+ CO =
= CH4 + 02
CH20 + H20
CN + H20
CH20 + N
CO + H20
CH20 + 0
C02 + H2
CH20 + 0
C02 » H20
CH20 + 02
CH30 « CO
CH3 + C02
67.0
-67.0
-43.3
43.3
-120.6
120.6
-126.8
126.8
-126.0
126.0
34.4
-34.4
C
C
C
C
C
C
C
C
C
C
C
C
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
LARGE MOLECULES
LIKELY TO BE UNIMPORTANT
to
O
-------
REACTION
HR NOTES
COMMENTS
195F. CH3 + HO = CH30 + H
195R. CH30 + H = CH3 + HO
196F. CH3 « HO = CH4 + 0
196R. CH4 + 0 = CH3 + HO
197F. CH3 + H02 = CH30 + HO
197R. CH30 + HO = CH3 + H02
198F. CH3 + H02 = CH4 + 02
198R. CH4 + 02 = CH3 + H02
199F. CH3 + H2 = CH4 + H
199R. CH4 + H = CHS + H2
200F. CH3 * H20 = CH30 + H2
200R. CH30 + H2 = CH3 + H20
M -108.2
M 108.2
-29.2
29.2
N 34.6
10 -34.8
I -55.4
I 55.4
13.2
-13.2
-1.8
1.8
10 -27.0
)2 27.0
> -57.8
I 57.8
0.3
-0.3
H2 28.1
20 -28.1
B *
B *
C
C
C
C
C
C
B *
B *
A *
A *
C
C
B *
C
A *
A *
C
C
MAY BE IMPORTANT EARLY STAGES
LOW CONCENTRATIONS
LOW CONCENTRATIONS
LOW CONCENTRATIONS FORWARD
REVERSE ENDOTHERMIC
CONSIDER BOTH DIRECTIONS FOR ROLE
CONSIDER BOTH DIRECTIONS
ROLE IN INITIAL CH4 BREAKDOWN
CH3 + H02 = CH4 + 02 MORE LIKELY
CH30 + HO = CH20 + H20 MORE LIKEL
CONSIDER FORWARD
REVERSE ENDOTHERMIC
CONSIDER BOTH DIRECTIONS
ROLE IN INITIAL CH4 BREAKDOWN
NOT LIKELY TO BE ELEMENTARY REACT
CH30
FORWARD
Y REV
ION
to
-------
REACTION
HR NOTES
COMMENTS
201F. CH3 + H20 = CH4 + HO
201R. CH4 + HO = CH3 + H20
15.2 A * CONSIDER BOTH DIRECTIONS
15.2 A * ROLE IN INITIAL CH4 BREAKDOWN
202F. CH3 + NO = CH30 * N
202R. CH30 * N = CH3 + NO
61.0 C FORWARD ENDOTHERMIC
-61.0 C CH30 + N = CH20 + HN MORE LIKELY REVERSE
203F. CH3 + N02 = CH30 + NO -18.3 C
203R. CH30 + NO = CH3 + N02 18.3 C
LOW CONCENTRATIONS BOTH DIRECTIONS
204F. CH3 + N20 = CH30 + N2 -53.2 C
204R. CH30 * N2 = CH3 + N20 53.2 C
LARGE MOLECULES STERIC HINDRANCE FORWARD
REVERSE ENDOTHERMIC
205F. CH3 + 0 + M = CH30 + M -93.1 C
205R. CH30 + M = CH3 + 0 + M 93.1 C
206F. CH3 + 02 = CH30 + 0 29.0 B *
206R. CH30 + 0 = CH3 + 02 -29.0 B *
THIRD ORDER FORWARD
STABILIZATION UNLIKELY
REVERSE ENDOTHERMIC
CONSIDER BOTH DIRECTIONS
FORWARD FOR CH3 BREAKDOWN
I
to
207F. CH30 »- H = CH4 * 0
207R. CHA + 0 = CH30 + H
15.1 C CH30 * H = CH20 + H2 MORE LIKELY FORWARD
15.1 C CH4 + 0 = CH3 + HO MORE LIKELY REVERSE
208F. CH30 + HN = CHA + NO
208R. CH4 + NO = CH30 + HN
90.3 C LOW CONCENTRATIONS FORWARD
90.3 C REVERSE ENDOTHERMIC
209F. CH30 + HNO = CH4 + N02 -37.1 C
209R. CH4 + N02 = CH30 * HNO 37.1 C
LOW CONCENTRATIONS BOTH DIRECTIONS
FOUR-CENTER, STERIC HINDRANCE
210F. CH30 * HO = CH4 + 02
210R. CH4 + 02 = CH30 + HO
30.8
30.8
C
C
FOUR-CENTER, STERIC HINDRANCE
-------
REACTION
HR
NOTES
COMMENTS
211F.
211R.
212F.
212R.
213F.
213R.
214F.
214R.
215F.
215R.
216F.
216R.
217F.
217R.
218F.
218R.
219F.
219R.
220F.
220R.
CH30
CH4 +
CH30
CH4 4.
CN 4-
CO 4-
CN 4-
CO 4-
CN 4-
C02
CN 4-
CO 4-
CN 4-
CO +
C02
CN +
CO 4-
CN 4-
CO +
+ H2
HO
= CH4 4- HO
= CH30 4- H2
4- H20 = CH4 4- H02
H02 = CH30 4- H20
HO =
HN =
H02
HNO
H02
l- HN
NO =
N2 =
N02
N20
N02
4- N2
0 =
N =
02 '
NO '
CO 4-
CN 4-
= CO <
= CN -
HN
HO
h HNO
» H02
= C02 + HN
= CN + H02
CO 4-
= CN 4-
= CO
= CN
= C02
= CN
CO 4-
CN 4-
= CO 4-
= CN 4-
N2
NO
+ N20
4- N02
4- N2
+ N02
N
0
NO
02
-12.
12.
42.
-42.
-49.
49.
-111.
111.
-111.
111.
-152.
152.
-117.
117.
9
9
1
1
9
9
7
7
2
2
6
6
7
7
-205.3
205.3
-77.2
77.2
-109.3
109.3
C
C
C
C
C
C
C
C
C
C
B *
C
C
C
C
C
B *
C
B *
C
FOUR-CENTER. STERIC HINDRANCE
FOUR-CENTERt STERIC HINDRANCE
FOUR-CENTER REACTION
CN + HO = CHN + 0 MORE LIKELY FORWARD
REVERSE ENDOTHERMIC
FOUR-CENTER FOR NOH STRUCTURE
REVERSE HIGHLY ENDOTHERMIC
NOT LIKELY TO BE ELEMENTARY REACTION
CONSIDER FORWARD FOR NO DESTRUCTION
REVERSE HIGHLY ENDOTHERMIC
FOUR-CENTER REACTION
FOUR-CENTER, STERIC HINDRANCE
REVERSE HIGHLY ENDOTHERMIC
NOT LIKELY TO BE ELEMENTARY REACTION
CONSIDER FORWARD
REVERSE ENDOTHERMIC
FOUR-CENTER REACTION, PROBABLY SLOW
REVERSE HIGHLY ENDOTHERMIC
I
to
00
-------
REACTION
221F. CN + 02 = CCJ2 + N
221R. C02 + N = CN + 02
HR NOTES COMMENTS
82.6 C NOT LIKELY TO BE ELEMENTARY REACTION
82.6 C
222F. CO + HNO = C02 + HN
222R. C02 + HN = CO * HNO
0.4 C
0.4 C
HNOt HN MINOR RX PARTNERS FOR CO, C02
223F. CO + HO = C02 + H
223R. C02 + H = CO + HO
21.1 A * FORWARD MAIN PATH FROM CO TO C02
21.1 B * CONSIDER BOTH DIRECTIONS - fO
224F. CO + H02 = C02 + HO
224R. C02 * HO = CO * H02
225F. CO + H20 = C02 * H2
225R. C02 + H2 = CO 4 H20
61.3
61.3
-6.3
6.3
C
C
C
C
CO * HO = C02 + H MORE IMPORTANT FORWARD
MAY HAVE MINOR ROLE FORWARD
REVERSE ENDOTHERMIC
NOT LIKELY TO BE ELEMENTARY REACTION
226F. CO * NO = C02 + N
226R. C02 + N = CO + NO
26.7 C SPIN HINDERED
-26.7 C EXPERIMENT INDICATES REACTION SLOW
to
227F. CO 4 N02 = C02 * NO
227R. C02 * NO = CO + N02
-52.7 C LOW CONCENTRATIONS FORWARD
52.7 C REVERSE ENDOTHERMIC
228F. CO * N20 = C02 + N2
228R. C02 + N2 = CO * N20
-87.6 C CO, N20 MINOR REACTION PARTNERS
87.6 C REVERSE ENDOTHERMIC
229F. CO * 0 + M = C02 * M -127.4 B *
229R. C02 +M=CO+0+M 127.4 C
FORWARD TERMINATION REACTION
REVERSE HIGHLY ENDOTHERMIC
230F. CO * 02 = C02 * 0
230R. C02 + 0 = CO + 02
-5.4 B * CONSIDER BOTH DIRECTIONS
5.4 B * PROBABLY SLOWER THAN CO « HO = C02 + H
-------
REACTION
HR NOTES
COMMENTS
231F. H+H+M=H2+M
231R. H2+M=H+H+M
-108.4 A * FORWARD TERMINATION REACTION
108.4 C REVERSE HIGHLY ENDOTHERMIC
232F. H + HN = H2 + N
232R. H2 + N = H + HN
-29.5 B * CONSIDER BOTH DIRECTIONS
29.5 B *
233F. H + HNO = HN + HO
233R. HN + HO = H + HNO
21.6 B * CONSIDER BOTH DIRECTIONS
-21.6 B * PROBABLY MINOR
234F. H + HNO = H2 + NO
234R. H2 « NO = H + HNO
55.7 B * CONSIDER FORWARD, PROBABLY MINOR
55.7 C REVERSE ENDOTHERMIC
235F. H + HNO = H20 + N
235R. H20 + N = H + HNO
236F. H -f HO = H20 + 0
236R. H20 + 0 = H + HO
22.8
22.8
-2.2
2.2
C
C
A *
A *
POSSIBLE FOR NOH STRUCTURE
PROBABLY MINOR
CONSIDER BOTH DIRECTIONS
ro
237F. H + HO + M = H20 » M -123.3 A *
237R. H20 +M=H+HO+M 123.3 C
FORWARD TERMINATION REACTION
REVERSE HIGHLY ENDOTHERMIC
238F. H + H02
238R. HO + HO
HO + HO
H + H02
40.2 B * CONSIDER FORWARD FOR H02 REMOVAL
40.2 C HO + HO = H20 + 0 FASTER THAN REVERSE
239F. H * H02
239R. H2 * 02
H2 + 02
H + H02
-58.1 B * CONSIDER FORWARD FOR H02 REMOVAL
58.1 C REVERSE ENDOTHERMIC
240F. H + H02
240R. H20 + 0
H20 + 0
H + H02
57.2 C FORWARD PRODUCTS MORE LIKELY TO BE
57.2 C HO * HO OR H2 + 02
-------
REACTION
HR NOTES
COMMENTS
241F. H + H20 = HO * H2
241R. HO + H2 = H + H20
14.9 A * CONSIDER BOTH DIRECTIONS
14.9 A *
242F. H + N + M = HN + M
242R. HN+M=H+N+M
78.9 C THIRD ORDER, LOW CONCENTRATIONS FORWARD
78.9 C REVERSE ENDOTHERMIC
243F. H + NO = HN + 0
243R. HN + 0 = H + NO
75.9 C FORWARD ENDOTHERMIC
75.9 B * CONSIDER REVERSE
244F. H + NO * M = HNO + M
244R. HNO +M=H+NO+M
52.7 C THIRD ORDER FORWARD
52.7 C REVERSE ENDOTHERMIC
245F. H + NO = HO + N
245R. HO + N = H + NO
246F. H * N02 = HN + 02
246R. HN -» 02 = H + N02
47.8 B * CONSIDER BOTH DIRECTIONS
47.8 A * REVERSE PART OF MODIFIED ZELDOVICH
27.9 C STERIC HINDRANCE
-27.9 C OTHER PRODUCTS MORE LIKELY
I
to
247F. H + N02 = HNO + 0
247R. HNO + 0 = H * N02
22.0 C POSSIBLE FOR NOH STRUCTURE
-22.0 C OTHER PRODUCTS MORE LIKELY
248F. H + N02 = HO + NO
248R. HO * NO = H + N02
-31.6 B * CONSIDER BOTH DIRECTIONS
31.6 B * PROBABLY UNIMPORTANT
249F. H + N02 = H02 + N
249R. H02 * N = H * N02
56.4
-56.4
C
C
NOT LIKELY TO BE ELEMENTARY REACTION
250F. H + N2 = HN * N
250R, HN + N = H + N2
150.5 C FORWARD HIGHLY ENDOTHERMIC
150.5 C LOW CONCENTRATIONS REVERSE
-------
REACTION
HR NOTES
COMMENTS
251F. H + N20 = HN + NO
251R. HN + NO = H + N20
36.2 C H + N20 = HO + N2 FASTER FORWARD
-36.2 C LOW CONCENTRATIONS REVERSE
252F. H + N20 = HNO + N
252R. HNO + N = H + N20
62.5 C FORWARD ENDOTHERMIC
-62.5 C LOW CONCENTRATIONS REVERSE
253F. H + N20 = HO + N2
253R. HO + N2 = H + N20
-66.4 B * CONSIDER FORWARD
66.4 C REVERSE ENDOTHERMIC
254F. H+0+M=HO+M
254R. HO+M=H+0+M
106.3 A * FORWARD REMOVES ACTIVE CENTERS
106.3 C REVERSE HIGHLY ENDOTHERMIC
255F. H + 02 = HO + 0
255R. HO + 0 = H + 02
15.7
-15.7
A *
A *
CONSIDER BOTH DIRECTIONS
10
256F. H + 02 + M = H02 + M -50.4 B *
256R. H02 +M=H+02+M 50.4 C
CONSIDER FORWARD
REVERSE ENDOTHERMIC
257F. HN * HN = H2 + N2
257R. H2 + N2 = HN + HN
258F. HN * HNO = H2 * N20
258R. H2 + N20 = HN * HNO
259F. HN * HNO = H20 + N2
259R. H20 + N2 = HN * HNO
180.0
180.0
-92.0
92.0
173.3
173.3
C
C
C
C
C
C
FOUR-CENTER REACTION
LOW CONCENTRATIONS FORWARD
REVERSE HIGHLY ENDOTHERMIC
FOUR-CENTERt STERIC HINDRANCE
LOW CONCENTRATIONS FORWARD
REVERSE ENDOTHERMIC
FOUR-CENTER, STERIC HINDRANCE
260F. HN + HO = H2 * NO
260R. H2 * NO = HN * HO
-77.3 C FOUR-CENTER REACTION
77.3 C HN + HO = H20 + N MORE LIKELY FORWARD
REVERSE ENDOTHERMIC
-------
REACTION
HR NOTES
COMMENTS
261F. HN + HO = H20 + N
261R. H20 * N = HN + HO
4 B * CONSIDER FORWARD
44.4 C REVERSE ENDOTHERMIC
262F.
262R.
263F.
263R.
264F.
264R.
265F.
265R.
266F.
266R.
267F.
267R.
268F.
268R.
269F.
269R.
270F.
270R.
HN +
HNO +
HN +
H2 +
HN +
H20 +
HN +
HNO +
HN +.
HNO +
HN *
HO +
HN +
HNO +
HN +
HO +
HN +
H02 +
H02
HO
H02
N02
H02
NO
H20
H2
NO =
N =
NO =
N2 =
N02
NO
N02
N20
N02
N2
= HNO
= HN +
= H2 +
= HN «
= H20
= HN +
= HNO
= HN +
HNO +
HN *.
HO +
HIM +
= HNO
= HN *
= HO +
= HN *
= H02
= HN *
+ HO
H02
N02
H02
* NO
H02
* H2
H20
N
NO
N2
NO
+ NO
N02
N20
N02
+ N2
N02
-61.8
61.8
-86.0
86.0
-132.4
132.4
-6.7
6.7
26.2
-26.2
-102.7
102.7
-53.2
53.2
-67.8
67.8
-94.0
94.0
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
LOW CONCENTRATIONS FORWARD
REVERSE ENDOTHERMIC
NOT LIKELY TO BE ELEMENTARY REACTION
FOUR-CENTER REACTION, STERIC HINDRANCE
FOUR-CENTER REACTION STERIC HINDRANCE
NOH STRUCTURE
LOW CONCENTRATIONS BOTH DIRECTIONS
FOUR-CENTER REACTION
LOW CONCENTRATIONS FORWARD
REVERSE HIGHLY ENDOTHERMIC
LOW CONCENTRATIONS BOTH DIRECTIONS
FOUR-CENTER REACTION, STERIC HINDRANCE
LOW CONCENTRATIONS FORWARD
REVERSE ENDOTHERMIC
NOT LIKELY TO BE ELEMENTARY REACTION
N>
00
-------
REACTION
HR NOTES
COMMENTS
271F. HN + N20 = HNO 4- N2
271R. HNO 4- N2 = HN 4- N20
-88.0 C LOW CONCENTRATIONS FORWARD
88.0 C REVERSE ENDOTHERMIC
272F. HN 4- 0 4- M = HNO 4- M -127.9 C
272R. HNO 4-M = HN4-04-M 127.9 C
THIRD ORDER FORWARD
REVERSE HIGHLY ENDOTHERMIC
273F. HN + 0 = HO 4- N
273R. HO 4- N = HN 4- 0
-27.4 C HN 4- 0 = H + NO MORE LIKELY FORWARD
27.4 C HO 4- N = H 4- NO MORE LIKELY REVERSE
274F. HN 4- 02 = HNO 4- 0
274R. HNO 4- 0 = HN 4- 02
-5.8 B * CONSIDER BOTH DIRECTIONS
5.8 B * PROBABLY MINOR
275F. HN 4- 02 = HO 4- NO
275R. HO 4- NO = HN 4- 02
276F. HN 4- 02 = H02 4- N
276R. H02 4- N = HN 4- 02
-59.4 C FOUR-CENTER REACTION
59.4 C HN 4- 02 = HNO 4- 0 FASTER FORWARD
REVERSE ENDOTHERMIC
28.6 C HN 4- 02 = HNO + 0 FASTER FORWARD
-28.6 C LOW CONCENTRATIONS REVERSE
ON
to
277F. HNO 4-M = H04-N4-M 100.5 C
277R. HO 4- N 4- M = HNO 4- M -100.5 C
278F. HNO 4- HNO = H20 4- N20 -85.3 C
278R. H20 4- N20 = HNO 4- HNO 85.3 C
FORWARD HIGHLY ENDOTHERMIC
THIRD ORDER REVERSE
NOH STRUCTURE
FOUR-CENTER REACTION, STERIC HINDRANCE
279F. HNO + HO
279R. H2 4- N02
280F. HNO 4- HO
280R. H20 4- NO
H2 + N02
HNO * HO
H20 4- NO
HNO + HO
-24.2 C FOUR-CENTER REACTION
24.2 C HNO + HO = H20 4- NO MORE LIKELY FORWARD
LOW CONCENTRATIONS REVERSE
-70.6 B * CONSIDER FORWARD
70.6 C REVERSE ENDOTHERMIC
-------
REACTION
HR NOTES
COMMENTS
281F.
281R.
282F.
282R.
28 3F.
283R.
284.F.
284R.
285F.
285R.
286F.
286R.
287F.,
287R.
288F.
288R.
289F.
289R.
290F.
290R.
HNO
H20
HNO
HO (
HNO
HO <
HNO
H02
HNO
H02
HNO
HO <
HNO
H02
HNO
HO »
HNO
H02
HO 4
H2 *
+ H02
* N02
+ N =
i- N2 =
+ NO =
i- N20 =
+ NO =
+ N2 =
+ N02
+ N20
+ 0 =
NO =
+ 0 =
+ N =
* 02 =
N02 =
+ 02 =
* NO =
HO =
02 =
= H20
= HNO
HO +
HNO +
HO +
HNO
H02
HNO
= H02
= HNO
+ N02
+ H02
N2
N
N20
+ NO
* N2
+ NO
+ N20
+ N02
HO + NO
HNO +
H02 +
HNO +
HO +
HNO
H02
HNO
0
N
0
N02
* 02
« NO
f 02
H2 « 02
HO * HO
-79.
2
79.2
-128.
128.
-14.
14.
-40.
40.
-6.
6.
-53.
53.
34.
-34.
-6.
6.
2.
-2.
-17.
17.
9
9
7
7
9
9
0
0
6
6
4
4
3
3
4
4
9
9
C
C
C
C
C
C
C
C
C
C
B *
C
C
C
C
C
C
C
C
C
FOUR-CENTER REACT
ION,
STERIC HINDRANCE
LOW CONCENTRATIONS FORWARD
REVERSE HIGHLY ENDOTHERMIC
FOUR-CENTER REACT
FOUR-CENTER REACT
ION,
I
ON,
STERIC HINDRANCE
,;\-J
NOH STRUCTURE
LOW CONCENTRATIONS FORWARD
REVERSE ENDOTHERM
FOUR-CENTER REACT
CONSIDER FORWARD
REVERSE ENDOTHERM
HNO * 0 = HO + NO
I
I
I
C
ON,
C
STERIC HINDRANCE
o\
i
LO
O
FASTER FORWARD
LOW CONCENTRATIONS
FOUR-CENTER REACT
FOUR-CENTER REACT
FOUR-CENTER REACT
HO * HO = H20 * 0
I
I
REVERSE
ON,
ON,
STERIC HINDRANCE
STERIC HINDRANCE
ION
FASTER FORWARD
REVERSE MAY HAVE ROLE IN H2/02 IGNITION
-------
REACTION
HR NOTES
COMMENTS
291F. HO + HO = H20 + 0
291R. H20 + 0 = HO + HO
17.0 A * CONSIDER BOTH DIRECTIONS
17.0 A *
292F. HO + H02 = H20 * 02
292R. H20 + 02 = HO + H02
-73.0 A * CONSIDER FORWARD FOR H02 REMOVAL
73.0 C REVERSE ENDOTHERMIC
293F. HO + H20 = H02 + H2
293R. H02 + H2 = HO + H20
55.1 C FOUR-CENTER REACTION
55.1 C FORWARD ENDOTHERMIC
294F. HO + NO = H02 + N
294R. H02 + N = HO + NO
88.0 C FORWARD ENDOTHERMIC
88.0 C LOW CONCENTRATIONS REVERSE
295F. HO * NU2
295R. H02 + NO
296F. HO * N20
296R. H02 + N2
H02 + NO
HO + N02
H02 + N2
HO + N20
8.6 B * CONSIDER BOTH DIRECTIONS
-8.6 B * REVERSE HAS BEEN CONSIDERED FOR
EARLY N02 FORMATION
-26.2 B * CONSIDER BOTH DIRECTIONS
26.2 B * PROBABLY MINOR
co
297F. HO + 0 + M = H02 + M
297R. H02 +M=HO+0+M
-66.1 B * CONSIDER FORWARD
66.1 C REVERSE ENDOTHERMIC
298F. HO + 02 = H02 + 0
298R. H02 + 0 = HO * 02
55.9 C FORWARD ENDOTHERMIC
55.9 A * CONSIDER REVERSE FOR H02 REMOVAL
299F. H2 + NO = H20 * N
299R. H20 * N = H2 + NO
32.9
32.9
C
C
NOT LIKELY TO BE ELEMENTARY REACTION
300F. H2 + N02 = H20 + NO
300R. H20 + NO = H2 + N02
46.4 C
46.4 C
NOT LIKELY TO BE ELEMENTARY REACTION
-------
REACTION
301F. H2 + N20 = H20 + N2
301R. H20 -i- N2 = H2 * N20
HR NOTES COMMENTS
-81.3 C NOT LIKELY TO BE ELEMENTARY REACTION
81.3 C
302F. H2 + 0 + M = H20 * M
302R. H20 +M*H2+0+M
121.2 C
121.2 C
NOT LIKELY TO BE ELEMENTARY REACTION
303F. H2 + 02 = H20 * 0
303R. H20 + 0 = H2 + 02
304F. N+N+M=N2+M
304R. N2 + M=N + N + M
0.9
-0.9
229.4
229.4
C
C
C
C
NOT LIKELY TO BE ELEMENTARY REACTION
r
THIRD ORDERf LOW CONCENTRATIONS FORWARD
REVERSE HIGHLY ENDOTHERMIC
305F. N * NO = N2 * 0
305R. N2 + 0 = N + NO
-75.3 B * CONSIDER BOTH DIRECTIONS
75.3 A * REVERSE PART OF ZELDOVICH MECHANISM
LO
10
306F. N + NO + M = N20 + M -115.2 C
306R. N20 +M=N+NO+M 115.2 C
THIRD ORDERt LOW CONCENTRATIONS FORWARD
REVERSE HIGHLY ENDOTHERMIC
307F. N + N02
307R. NO + NO
NO + NO
N + N02
-79.4 B * CONSIDER FORWARD (LOW CONCENTRATIONS)
79.4 C REVERSE ENDOTHERMIC
308F. N * N02
308R. N2 + 02
N2 + 02
N + N02
122.6
122.6
C
C
NOT LIKELY TO BE ELEMENTARY REACTION
309F. N * N02
309R. N20 + 0
N20 * 0
N -I- NG2
-40.4 C N * N02 = NO + NO MORE LIKELY FORWARD
40.4 C REVERSE ENDOTHERMIC
310F. N + N20
310R. NO * N2
NO + N2
N * N20
114.2 C LOW CONCENTRATIONS FORWARD
114.2 C REVERSE HIGHLY ENDOTHERMIC
-------
REACTION
HR NOTES
COMMENTS
311F. N+0+M=NO+M
311R. NO + M = N+0-»-M
-154.1
C THIRD ORDERf LOW CONCENTRATION FORWARD
C REVERSE HIGHLY ENDOTHERMIC
312F. N + 02 = NO + 0
312R. NO + 0 = N + 02
-32.1 A * CONSIDER BOTH DIRECTIONS
32.1 B * FORWARD PART OF ZELDOVICH MECHANISM
313F. N + 02 + M = N02 + M -106.8 C
313R. N02 +M=N+02+M 106.8 C
NOT LIKELY TO BE ELEMENTARY REACTION
314F. NO * NO
314R. N2 + 02
315F. NO * NO
315R. N20 + 0
N2 + 02
NO + NO
N20 + 0
NO * NO
-43.2
43.2
38.9
-38.9
C
C
B *
B *
FOUR-CENTER REACTION, SPIN HINDERED
NO + NO = N20 + 0 FASTER EXPERIMENTALLY
POSSIBLY BY AT LEAST A FACTOR OF 10
CONSIDER BOTH DIRECTIONS
u>
OJ
316F. NO + N02
316R. N20 + 02
N20 + 02
NO + N02
-8.4
8.4
C
C
NOT LIKELY TO BE ELEMENTARY REACTION
317F. NO + N20
317R. N02 « N2
N02 + N2
NO + N20
-34.9 C FORWARD SLOW EXPERIMENTALLY
34.9 C REVERSE EVEN SLOWER
318F. NO + 0 + M = N02 + M
318R. N02 +M=NO+0+M
74.7 B * CONSIDER FORWARD
74.7 C REVERSE ENDOTHERMIC
319F. NO + 02 = N02 * 0
319R. N02 * 0 = NO + 02
47.3 B * CONSIDER BOTH DIRECTIONS
47.3 B * FORWARD ENDOTHERMIC
320F. N2 + 0 + M = N20 + M
320R. N20 +M=N2+0+M
39.9
39.9
B *
B *
CONSIDER BOTH DIRECTIONS FOR ROLE OF N20
-------
321F. N2
321R. N20
REACTION
02 = N20 + 0
0 = N2 + 02
HR
NOTES
COMMENTS
82.2 C FORWARD ENDOTHERMIC
-82.2 B * CONSIDER REVERSE
322F. 0 + 0 + M = 02 + M
322R. 02+M=0+0+M
122.0 A * FORWARD TERMINATION REACTION
122.0 C REVERSE HIGHLY ENDOTHERMIC
o\
I
oo
-------
7-1
7. RECOMMENDED RATES FOR REACTIONS FOUND IN THE
LITERATURE AND ADDITIONAL REACTIONS OF POTENTIAL IMPORTANCE
In assembling recommendations for rates to be used, every
attempt was made to use existing critical evaluations. This was done
so as not to impose an additional layer of "slightly different" rate
parameters to an already confusing array of differing opinions. Where
alterations were required the nature of the change has been carefully
indicated. Where critical evaluations were not available, use was made
of reliable experimental data in the appropriate temperature range.
Where data in the appropriate range were not available, reliable data
outside the temperature range were extrapolated to the range of interest
with a reasonable temperature dependence. Where no such data were avail-
able, literature estimates that seemed reasonable were used. And finally,
where no literature estimates were available, reasonable estimates were
made or were requested to be made as indicated.
In all cases, an attempt has been made to make the rates self
consistent; i.e., to bring relative rates of competing reactions into
line. While a number of rates have been altered for this purpose, there
may still exist some that are not yet consistent with other similar re-
actions. In many cases recently revised, thermochemistry has an influence
on estimated activation energies of reactions. In cases where older
estimates have activation energies significantly below the endothermicity
currently calculated, appropriate adjustments have been made.
The rates given are recommendations as of December 31, 1974.
The headings in this section are as follows:
Headings Description
REACTION Written in the direction of the recommendation.
Each reaction is recommended in one direction only.
Reverse rate may be obtained by using the expression
for Kc in Section 4
Kc - Vkr
Each reaction is numbered and direction indicated
F = Forward of master reaction
R = Reverse of master reaction
* Flag to indicate that reaction should be considered
in initial screening for combustion of methane/air
at one atmosphere between 1500-2500K and 80-125%
stoichiometric air.
-------
7-2
Headings Description
LOG A Common logarithm of constant preexponential term.
Uncertainty in parenthesis.
B Exponent of T
C Activation energy (kcal/mole)
Uncertainty in parenthesis.
note: k - 10LOG A TB e-C/RT
COMMENTS Basis for selection of recommendation.
References listed in Section 9.
Explanation of notes:
Note A - No experimental data in literature, given
rate selected as most reliable.
Note B - No other estimate available in literature.
Note C - No literature estimate available, estimated
as indicated.
Note D - Limited experimental data available, use
with cauation.
(J-P) - Johnston-Parr method.
(EST) - Order of magnitude estimate.
(EVAL) - Evaluation.
(XPT) - Based on experimental determinations.
LOG K Calculated from recommended expression at temperatures
of 300, 1500, 2000 and 2500K (note: 300K is outside
considered range, provided for reference only).
-------
RECOMMENDED RATES 1500-2500K
TEMP, KELVIN
REACTION LOG A B C COMMENTS 300 1500 2000 2500
LOG K
IF. CH + CHN = CH2 + CN * NO RELIABLE ESTIMATE
IN LITERATURE
SEE SECTION 8
2F. CH + CHO = CH2 + CO 10.5 0.7 1. BASED ON Tl (J-P) 11.5 12.6 12.7 12.8
(0.5 ) ( 5. ) NOTE A
3F. CH + CH20 = CH2 + CHO 11.0 0.7 4. BASED ON Tl (J-P) 9.8 12.6 12.9 13.0
10.5 ) ( 5. ) NOTE A
5R. CH2 + CH2 = CH + CH3 11.7 0.5 6. BASED ON Tl (EST) 8.6 12.4 12.7 12.9
(0.5 ) ( 5. ) NOTE B
9F. CH +CH4 = CH2 + CH3 * 11.4 0.7 6. BASED ON Tl (J-P) 8.8 12.7 13.1 13.3
(0.5 ) ( 5. ) NOTE A
10F. CH + C02 = CHO + CO * 10.0 0.5 6. BASED ON Tl (EST) 6.9 10.7 11.0 11.2 T1
(0.5 ) ( 5. ) NOTE B w
11F. CH + H + M = CH2 + M 19.0 -1. 0. EST BY METHOD OF B85 16.5 15.8 15.7 15.6
(0.5 ) NOTE C
13R. CH2 + N = CH + HN 11.8 0.67 40.5 BASED ON M8 (J-P) -16.0 8.0 9.6 10.5
(0.5 ) ( 5. ) NOTE B
17F. CH + HNO = CH2 + NO 11.8 0.5 0. BASED ON Tl (EST) 13.0 13.4 13.5 13.5
(0.5 ) ( 5. ) NOTE B
20F. CH + HO = CHO + H * 11.7 0.5 10. BASED ON Tl (EST) 5.7 11.8 12.3 12.5
(0.5 ) ( 5. ) NOTE B
21R. CH2 + 0 = CH + HO 11.3 0.7 26. BASED ON M8 (J-P) -5.9 9.7 10.8 11.4
(0.5 ) ( 5. ) NOTE A
24F. CH + H02 = CHO + HO 11.7 0.5 6. BASED ON Tl (EST) 8.6 12.4 12.7 12.9
(0.5 ) ( 5. ) NOTE B
-------
RECOMMENDED RATES 1500-2500K
TEMP, KELVIN
REACTION LOG A B C COMMENTS 300 1500 2000 2500
LOG K
25F. CH + H02 = CH2 +02 * 10.0 0.5 15. BASED ON Tl (EST) 0.3 9.4 10.0 10.4
(0.5 ) ( 5. ) NOTE B
29R. CH2 + H = CH + H2 * 11.5 0.7 5. BASED ON M8,T1 (J-P) 9.6 13.0 13.3 13.4
(0.5 ) ( 5. ) WITH C=5
NOTE A
32R. CH2 + HO = CH + H20 * 11.7 0.5 6. BASED ON Tl (EST) 8.6 12.4 12.7 12.9
(0.5 ) ( 5. ) NOTE B
38F. CH + NO = CHN + 0 * NO LITERATURE VALUE
SEE SECTION 8
39F. CH + NO = CHO + N * NO LITERATURE VALUE
SEE SECTION 8
~j
47F. CH + N2 = CHN + N * NO LITERATURE VALUE *
SEE SECTION 8
48F. CH + N2 = CN + HN * NO LITERATURE VALUE
SEE SECTION 8
52F. CH + 0 + M = CHO + M 16. -0.5 0. BASED ON Tl (EST) 14.8 14.4 14.3 14.3
(0.5 ) ( 5. ) NOTE B
53F. CH + 0 = CO + H * 11.7 0.5 0. BASED ON Tl (EST) 12.9 13.3 13.4 13.4
(0.5 ) ( 5. ) C=0 BASED ON B85
NOTE B
54F. CH + 02 = CHO + 0 * 11.7 0.5 6. BASED ON Tl (EST) 8.6 12.4 12.7 12.9
(0.5 ) ( 5. ) NOTE B
57R. CN + H + M = CHN + M 16.5 -0.5 0. BASED ON Tl (EST) 15.3 14.9 14.8 14.8
(0.5 ) ( 5. ) NOTE B
58R. CH2U + CN = CHN « CHO 11.1 0.7 3. BASED ON Tl (J-P) 10.6 12.9 13.1 13.2
(0.5 ) ( 5. ) NOTE B
-------
RECOMMENDED RATES 1500-2500K
TEMP, KELVIN
REACTION LOG A B C COMMENTS 300 1500 2000 2500
LOG K
59R. CH3 + CN = CHN + CH2 * 11.0 0.7 3. BASED ON Tl (J-P) 10.5 12.8 13.0 13.1
(0.5 ) ( 5. ) NOTE B
61R. CH4 4- CN = CHN + CH3 * 11.5 0.7 5. BASED ON Tl (J-P) 9.6 13.0 13.3 13.4
(0.5 ) ( 5. ) GOOD AGRMT W/B78
62R. CHO + CN = CHN + CO 11.3 0.5 0. BASED ON Tl (EST) 12.5 12.9 13.0 13.0
(0.5 ) ( 5. ) NOTE B
64F. CHN + H = CN « H2 * NO RELIABLE ESTIMATE
IN LITERATURE
SEE SECTION 8
65R. CH2 + N2 = CHN + HN * NO LITERATURE VALUE
SEE SECTION 8
71F. CHN + HO = CN + H20 * 11.3 0.6 5. BASED ON Tl (J-P) 9.1 12.5 12.7 12.9
(0.5 ) ( 5. ) NOTE B
81R. CN + HN = CHN + N 11.0 0.5 2. BASED ON Tl (EST) 10.8 12.3 12.4 12.5
(0.5 ) ( 5. ) NOTE B
83R. CN + HNO = CHN + NO 11.6 0.5 0. BASED ON Tl (EST) 12.8 13.2 13.3 13.3
(0.5 ) ( 5. ) NOTE B
85F. CHN + 0 = CHO + N * NO LITERATURE VALUE
SEE SECTION 8
86F. CHN + 0 = CN + HO * NO RELIABLE ESTIMATE
IN LITERATURE
SEE SECTION 8
92R. CO + H + M = CHO + M * 20.2 -1.5 0. EST BY METHOD OF B85 16.5 15.4 15.2 15.1
(0.5 ) AGREES W/ EST OF Jl
94F. CHO + CHO = CH20 + CO * 11.2 0.5 0. BASED ON Tl (EST) 12.4 12.8 12.9 12.9
(0.5 ) ( 5. ) NOTE B
-------
RECOMMENDED RATES 1500-2500K
TEMPt KELVIN
REACTION LOG A B C COMMENTS 300 1500 2000 2500
LOG K
95F. CHO + CH2 = CH3 + CO * 10.5 0.7 1. BASED ON Tl (J-P) 11.5 12.6 12.7 12.8
(0.5 ) ( 5. ) NOTE B
98R. CH2 + CH20 = CHO + CH3 * 10.5 0.5 6. BASED ON Tl (EST) 7.4 11.2 11.5 11.7
(0.5 ) ( 5. ) NOTE A
99F. CHO + CH3 = CH4 + CO * 11.5 0.5 0. BASED ON Tl (EST) 12.7 13.1 13.2 13.2
(0.5 ) ( 5. ) NOTE B
103R. CH20 + CH3 = CHO + CH4 * 10.0 0.5 6. BASED ON Tl (EST) 6.9 10.7 11.0 11.2
(0.5 ) ( 5. ) NOTE A
104R. CH2 + 0 = CHO + H * 11.7 0.5 4. BASED ON Tl (EST) 10.0 12.7 12.9 13.0
(0.5 ) ( 5. ) NOTE B
105R. CH20 + M = CHO + H + M 17.5 0. 87. BASED ON Tl (EST) -45.9 4.8 8.0 9.9
(0.5 ) ( 5. ) NOTE B
106F. CHO + H = CO + H2 * 12.2 0.5 0. BASED ON Tl (EST) 13.4 13.8 13.9 13.9
(0.5 ) ( 5. ) NOTE A
111F. CHO + HNO = CH20 + NO 11.5 0.5 0. BASED ON Tl (EST) 12.7 13.1 13.2 13.2
(0.5 ) ( 5. ) NOTE B
113R. CH20 + 0 = CHO + HO * 11.0 1. 3.5 BASED ON D22,H33,M27 10.9 13.7 13.9 14.1
(0.3 ) ( 2. ) FIT MODIF ARRHENIUS
300-2600K
114F. CHO + HO = CO + H20 * NO RELIABLE ESTIMATE
IN LITERATURE
SEE SECTION 8
116F. CHO + H02 = CH20 + 02 * NO LITERATURE VALUE
SEE SECTION 8
119R. CH20 + H = CHO + H2 * 10.1 1. 3.2 BASED ON W40 10.2 12.8 13.1 13.2
(0.5 ) USING B=l FOR EXTRAP
NO DATA ABOVE 1000K
-------
RECOMMENDED RATES
1500-2500K
REACTION
123R. CH20 + HO = CHO + H20
127F. CHO + N = CO + HN
129F. CHO + NO = CO + HNO
133F. CHO + 0 = CO + HO
134F. CHO + 0 = C02 + H
135F. CHO + 02 = CO + H02
139F. CH2 + CH4 = CH3 + CH3
144F. CH2 + HNO = CH3 + NO
LOG A
* 10.5
(0.3
* 11.3
(0.5
* 11.3
(0.5
* 12.1
(0.5
11.8
(0.5
146F. CH2 + HO = CH20 + H * 13.
147F. CH2 + HO = CH3 + 0
* 11.7
(0.5
150F. CH2 + H02 = CH3 +02 *
B C COMMENTS
1. 0. BASED ON M30,P13,W2
( 3. ) K=13.0 AT 300 (M30)
K=13.8 AT 1500 (W2)
K=13.4 AT 1600 (P13J
0.5 2. BASED ON Tl (EST)
( 5. ) NOTE B
0.5 2. BASED ON Tl (EST)
( 5. ) NOTE B
NO RELIABLE ESTIMATE
IN LITERATURE
SEE SECTION 8
NO LITERATURE VALUE
SEE SECTION 8
NO LITERATURE VALUE
SEE SECTION 8
0.7 20. BASED ON Tl (J-P)
( 5. ) NOTE B
0.5 0. BASED ON Tl (EST)
( 5. ) NOTE B
0. 5. ESTIMATED
NO RATE DATA
0.5 6. BASED ON Tl (EST)
( 5. ) NOTE B
NO LITERATURE VALUE
SEE SECTION 8
TEMP, KELVIN
300 1500 2000 2500
LOG K
13.0 13.7 13.8 13.9
11.1 12.6 12.7 12.8
11.1 12.6 12.7 12.8
-0.7 11.4 12.2 12.7
13.0 13.4 13.5 13.5
9.4 12.3 12.5 12.6
8.6 12.4 12.7 12.9
-------
RECOMMENDED RATES
1500-2500K
REACTION
152F. CH2 + H2 = CH3 + H
155R. CH3 + HO = CH2 + H20
159F. CH2 + NO = CH20 + N
LOG A B
* 10.8 0.7
(0.5 )
165F. CH2 + 02 = CH20 +0 * 11.7 0.5
(0.5 )
171R. CH3 * 0 = CH20 + H
* 13.7 0.
(0.3 )
172R. CH30 + M = CH20 + H +M *
174R. CH30 + N = CH20 + HN *
177R. CH3 + 02 = CH20 + HO
* 13.5 0,
(0.5 )
178R. CH30 + 0 = CH20 + HO *
179R. CH30 + 02 = CH20 + H02 *
181R. CH30 + H = CH20 + H2 *
C COMMENTS
NO RELIABLE ESTIMATE
IN LITERATURE
SEE SECTION 8
2. BASED ON Tl (J-P)
( 5. » NOTE A
NO LITERATURE VALUE
SEE SECTION 8
7. BASED ON Tl (EST)
( 5. ) NOTE B
0. BASED ON D22tM25»P13
K=13.7 AT 300 (M25)
K=13.8 AT 1500 (P13)
K=13.8 AT 2000 (D22)
CH30 NOT IN SURVEY
SEE SECTION 8
CH30 NOT IN SURVEY
SEE SECTION 8
20. BASED ON B45,B64,B76
(10. ) W/ EST ACTIV ENERGY
CH30 NOT IN SURVEY
SEE SECTION 8
CH30 NOT IN SURVEY
SEE SECTION 8
CH30 NOT IN SURVEY
SEE SECTION 8
TEMP, KELVIN
300 1500 2000 2500
LOG K
11.1 12.7 12.9 13.0
7.8 12.3 12.6 12.8
13.7 13.7 13.7 13.7
-1.1 10.6 11.3 11.8
oo
-------
RECOMMENDED RATES
1500-2500K
REACTION LOG A B
184R. CH30 + HO = CH20 + H20 *
191R. CH4 + M = CH3 + H + M * 17.3 0.
(0.3 )
194F. CH3 + HNO = CH4 + NO
195F. CH3 + HO = CH30 + H * 12.8 0.
11.7 0.5
(0.5 )
196R. CH4 + 0 = CH3 + HO
198F. CH3 + H02 = CH4 + 02
199R. CH4 + H = CH3 + H2
201R. CH4 + HO = CH3 + H20
206F. CH3 + 02 = CH30 + 0
216F. CN + NO = CO * N2
219F. CN + 0 = CO + N
220F. CN + 02 = CO + NO
* 13.3 0.
(0.2 )
* 11.0 0.5
(0.5 )
* 13.8 0.
(0.3 )
* 13.5 0.
(0.3 )
* 11.5 0.
(0.5 )
* 12. 0.
(0.5 )
* 11.5 0.
(0.5 )
C COMMENTS
CH30 NOT IN SURVEY
SEE SECTION 8
87.5 BASED ON H32
( 2. ) RECENT EXPERIMENT
0. BASED ON Tl (EST)
( 5. ) NOTE B
0. COMPARES W/ 155R
NO RATE DATA
9. BASED ON H25
( 1. ) CRIT EVAL 350-2000K
6. BASED ON Tl (EST)
( 5. )
11.9 BASED ON REFS
( 0.3) B64,K34,SltS33,W30
5. BASED ON REFS
( 0.5) B64,D25,S33,W31
CH30 NOT IN SURVEY
SEE SECTION 8
0. BASED ON B78 (XPT)
( 5. ) ASSUME ACT ENERGY=0
NOTE D
0. BASED ON B78.R5
( 5. ) ASSUME ACT ENERGY=0
NOTE D
0. BASED ON B86 (XPT)
(10. ) UPPER LIMIT AT 298K
ASSUME ACT ENERGY^O
NOTE D
TEMPt KELVIN
300 1500 2000 2500
LOG K
4.6 7.7 9.7
12.9 13.3 13.4 13.4
12.8 12.8 12.8 12.8
6.7 12.0 12.3 12.5
7.9 11.7 12.0 12.2
5.1 12.1 12.5 12.8
9.9 12.8 13.0 13.1
11.5 11.5 11.5 11.5
12.0 12.0 12.0 12.0
11.5 11.5 11.5 11.5
vo
-------
RECOMMENDED RATES
1500-2500K
REACTION
222F. CO * HNO = C02 + HN
223F. CO + HO = C02 + H
224F. CO + H02 = C02 + HO
225R. C02 * H2 = CO + H20
226R. C02 + N = CO + NO
227F. CO + N02 = C02 + NO
228F. CO * N20 = C02 + N2
229R. C02 +M=CO+0+M
230F. CO + 02 = C02 + 0
231R. H2+M=H+H+M
232F. H + HN = H2 + N
233F. H + HNO = HN + HO
TEMP, KELVIN
LOG
A
B
C
COMMENTS
300
1500
2000
2500
LOG K
*
#
*
*
*
*
11.
(0.
7.
11.
(0.
9.
(0.
11.
(1.
12.
(0.
11.
(0.
15.
(0.
12.
(0.
14.
(0.
11.
(0.
11.
(0.
0
5 )
18
5 )
0
5 )
3
)
3
3 )
0
3 )
3 )
5
5 )
3
3 )
8
2 )
3
5 )
0.5
1.3
0.
0.5
0.5
0.
0.
0.
0.
0.
0.5
0.5
7.
( 5. )
0.76
10.
( 3. )
15.
( 5. )
30.
(20. )
30.
( 3. )
20.
( 3. )
100.
( 5. )
50.
(10. )
96.
( 4. )
8.
( 5. )
23.
( 5. )
BASED ON Tl (EST)
NOTE B
BASED ON B98
FIT TO XPTL DATA
FROM 300-2000K
BASED ON L16 (EVAL)
BASED ON Tl (EST)
NOTE B
BASED ON Tl
WITH HIGHER C
SPIN HINDERED
BASED ON K45
BASED ON L9,M29
NOTE D
BASED ON C26,01
COMPLEX REACTION
BASED ON 020,022,510
HI T DATA FAIR AGRMT
BASED ON B88, M = AR
CRITICAL EVALUATION
BASED ON B97 (EST)
TRANS STATE CORLAT
BASED ON Tl (EST)
W/ HIGHER C
7.
9.
3.
-0.
-9.
-9.
-3.
-57.
-23.
-55.
7.
-4.
1
8
7
7
3
6
6
9
9
6
2
2
11.6
11.2
9.5
8.4
8.5
7.9
8.1
0.4
5.2
0.3
12.2
9.5
11
11
9
9
9
9
8
4
7
3
12
10
.9
.4
.9
.0
.7
.0
.8
.1
.0
.8
.6
.4
12.1
11.5
10.1
9.4
10.4
9.7
9.3
6.3
8.1
5.9
12.8
11.0
NOTE B
-------
RECOMMENDED RATES
1500-2500K
REACTION
234F. H + HNO = H2 + NO
236F. H » HO = H2 + 0
237F. H + HO + M = H20 + M
238F. H + H02 s HO + HO
239F. H + H02 = H2 + 02
240F. H + H02 = H20 + 0
241R. HO + H2 = H + H20
242F. H+N+M=HN+M
243R. HN + 0 = H + NO
244F. H * NO + M = HNO + M
245R. HO + N = H + NO
247R. HNO + 0 = H + N02
LOG A
* 13.
(0.2 )
B
0.
* 9.9 1.
(0.2 )
* 22.3 -2.
(0.3 )
* 14.4 0.
(0.3 )
* 13.4 0.
(0.3 )
13.0 0.
(1. )
* 13.4 0.
(0.1 )
17.4 -0.5
(1. )
* 11.8 0.5
(0.2 )
15.7 0.
(0.3 )
* 11.8 0.5
(0.3 )
10.7 0.5
(0.5 )
C COMMENTS
2.5 BASED ON SI
( 2. ) EVALUATION 200-2000K
7. BASED ON B88
( 0.3) EVALUATION 400-2000K
0. BASED ON B88, M = N2
CRIT EVAL 1000-3000K
1.9 BASED ON L16
( 1. ) EVALUATION 300-1000K
0.7 BASED ON L16
( 1. ) EVALUATION 300-1000K
1. BASED ON L16
( 1. ) EVALUATION 300-1000K
5.2 BASED ON B88
( 0.2) EVALUATION 300-2500K
0. BASED ON Tl (EST)
( 2. ) AND B91 (XPT)
0. BASED ON B97
( 5. ) TRANS STATE CORELAT
-0.6 BASED ON B90f M = H2
( 0.3) EVALUATION 230-700K
0. BASED ON B97
( 3. ) TRANS STATE COREL
AGREES W/ REF C8 XPT
0. BASED ON Tl (EST)
( 5. ) NOTE B
TEMP, KELVIN
300 1500 2000 2500
LOG K
11.2 12.6 12.7 12.8
7.3 12.1 12.4 12.7
17.3 15.9 15.7 15.5
13.0 14.1 14.2 14.2
12.9 13.3 13.3 13.3
12.3 12.9 12.9 12.9 i
9.6 12.6 12.8 12.9
16.2 15.8 15.7 15.7
13.0 13.4 13.5 13.5
16.1 15.8 15.8 15.8
13.0 13.4 13.5 13.5
11.9 12.3 12.4 12.4
-------
RECOMMENDED RATES
1500-2500K
REACTION
248F. H + N02 = HO + NO
250R. HN + N = H + N2
251F. H + N20 = HN * NO
252R. HNO + N = H + N20
253F. H + N20 = HO + N2
254F. H+0+M=HO+M
255R. HO + 0 = H * 02
256F. H + 02 + M = H02 + M
257F. HN + HN = H2 * N2
261F. HN + HO = H20 + N
266R. HNO + N = HN * NO
268F. HN + N02 = HNO * NO
LOG
*
*
*
*
*
*
14.
(0.
11.
(0.
11.
(0.
10.
(0.
13.
(0.
15.
(1.
13.
(0.
15.
(0.
13.
(1.
11.
(0.
11.
(0.
11.
(0.
A
5
3
8
2
0
5
7
5
9
2
9
4
3
3
1
0
7
5
0
5
3
5
)
)
)
)
)
)
)
)
)
)
)
)
B
0.
0.5
0.5
0.5
0.
0.
0.
0.
0.
0.5
0.5
0.5
C
1.5
( 1. )
0.
( 3. )
30.
( 5. )
3.
( 5. )
15.
( 1. )
0.
0.
1.
( 0.5)
0.
2.
( 5. )
2.
( 5. )
5.
( 5. )
COMMENTS
BASED ON B90
EVALUATION 300-630K
BASED ON B97
TRANS STATE CORELAT
BASED ON Tl (EST)
NOTE B
BASED ON Tl (EST)
NOTE B
BASED ON B90
EVALUATION 700-2500K
BASED ON S30
LIMITED DATA
BASED ON W31
EVALUATION 300-2000K
BASED ON B88f M = N2
EVALUATION 300-2000K
ESTIMATE OF 08
REDUCED BY 10X
BASED ON Tl (EST)
NOTE B
BASED ON Tl (EST)
NOTE B
BASED ON Tl (EST)
NOTE B
300
13.
13.
-9.
9.
3.
15.
13.
14.
13.
11.
10.
8.
4
0
6
8
0
9
4
6
0
5
B
9
TEMP, KELVIN
1500 2000 2500
LOG K
14.3 14.3 14.4
13.4 13.5 13.5
8.2 9.4 10.1
11.9 12.0 12.1
11.7 12.3 12.6
15.9 15.9 15.9
13.4 13.4 13.4
15.2 15.2 15.2
13.0 13.0 13.0
13.0 13.1 13.2
12.3 12.4 12.5
12.2 12.4 12.6
-------
RECOMMENDED RATES
1500-2500K
REACTION
271F. HN + H20 = HNO + H2
272F. HN + 0 + M = HNO + M
273F. HN + 0 = HO + N
274R. HNO + 0 = HN + 02
276R. H02 + N = HN + 02
277R. HO * N + M = HNO + M
280F. HNO + HO = H20 + NO
283F. HNO + NO = HO + N20
286F. HNO + 0 = HO + NO
290R. H2 + 02 = HO + HO
291F. HO + HO = H20 + 0
292F. HO + H02 = H20 + 02
LOG A 6
11.0 0.5
(0.5 )
16.0 -0.5
(0.5 )
11.5 0.5
(0.3 )
* 11.0 0.5
(0.5 )
11.0 0.
(0.5 )
15.0 -0.5
* 13.5 0.
(0.5 )
12.3 0.
(0.3 )
* 11.7 0.5
(0.5 )
12.4 0.
(1. )
* 12.8 0.
(0.3 )
* 13.7 0.
(0.5 )
C COMMENTS
3. BASED ON Tl (EST)
( 5. ) NOTE B
0. BASED ON Tl (EST)
( 5. ) NOTE B
8. BASED ON B97
( 3. ) TRANS STATE CORELAT
7. BASED ON Tl (EST)
( 5. ) NOTE B
0. BASED ON K25 (XPT)
( 5. ) LOWER LIMIT AT 300K
NOTE D
0. BASED ON Tl (EST)
NOTE B
0. BASED ON B46,H39
( 2. )
26. BASED ON W23
( 5. ) REEVALUATION OF
EXISTING H2-NO DATA
0. BASED ON Tl (EST)
( 5. ) NOTE B
39. BASED ON R2 (XPT)
(10. ) NOTE D
1. BASED ON 688
( 0.5) EVALUATION 300-2000K
1. BASED ON L16
( 1. ) EVALUATION 300-1000K
TEMP, KELVIN
300 1500 2000 2500
LOG K
10.1 12.2 12.3 12.4
14.8 14.4 14.3 14.3
6.9 11.9 12.3 12.5
7.1 11.6 11.9 12.1
11.0 11.0 11.0 11.0
13.8 13.4 13.3 13.3
13.5 13.5 13.5 13.5
-6.6 8.5 9.5 10.0
12.9 13.3 13.4 13.4
-16.0 6.7 8.1 9.0
12.1 12.7 12.7 12.7
13.0 13.6 13.6 13.6
10
-------
RECOMMENDED RATES
1500-2500K
REACTION
295R. H02 + NO HO + N02
296F. HO + N20 = H02 + N2
297F. HO + 0 + M = H02 + M
298R. H02 + 0 = HO + 02
304R. N2+M=N+N+M
305F. N + NO = N2 + 0
306F. N * NO * M = N20 + M
307F. N + N02 = NO + NO
308F. N + N02 = N2 + 02
309F. N + N02 = N20 + 0
310F. N + N20 = NO + N2
LOG A B
* 13.0 0.
(0.3 )
* 13.5 0.
* 17.0 0.
(2. )
* 13.7 0.
(0.3 )
21.6 -1.6
(0.5 )
* 13.2 0.
(0.3 )
* 12.6 0.
(0.7 )
12.0 0.
(0.3 )
12.7 0.
(0.3 )
8.7 0.
(0.5 )
C
3.
( 3.
15.
0.
1.
( 1.
225.
( 1.
0.
0.
( 3.
0.
( 3.
0.
( 3.
10.
( 5.
COMMENTS
BASED ON L16
) USING ACTIV ENERGY=3
ESTIMATE
NO RATE DATA
BASED ON REF B24
NO VALID DATA (B88)
BASED ON L16
) LIMITED DATA
BASED ON B90, M = N2
) EVALUATION
BASED ON B90
EVALUATION 300-5000K
NO EVIDENCE OF IT
REF S30
BASED ON P10 (XPT)
) ASSUME ACT ENERGY=0
NOTE D
BASED ON P10 (XPT)
) ASSUME ACT ENERGY=0
NOTE D
BASED ON P10 (XPT)
) ASSUME ACT ENERGY=0
NOTE D
BASED ON B19 (EST)
) NOTE A
300
10.8
2.6
17.0
13.0
-146.3
13.2
12.6
12.0
12.7
1.4
TEMPt KELVIN
1500 2000 2500
LOG K
12.6 12.7 12.7
11.3 11.9 12.2
17.0 17.0 17.0
13.6 13.6 13.6
-16.3 -8.3 -3.5
13.2 13.2 13.2
12.6 12.6 12.6
12.0 12.0 12.0
12.7 12.7 12.7
I
M
P^
7.2 7.6
7.8
-------
RECOMMENDED RATES
1500-2500K
REACTION
311R. NO+M=N+0+M
312F. N + 02 = NO + 0
314F. NO + NO = N2 + 02
315R. N20 + 0 = NO + NO
316F. NO + N02 = N20 + 02
317F. NO + N20 = N02 + N2
318R. N02 +M=NO+0+M
319R. N02 + 0 = NO « 02
320R. N20 +M=N2+0+M
321R. N20 + 0 = N2 + 02
LOG A
20.6
(0.5
B
-1.5
* 9.8 1.
(0.3 )
* 14.0 0.
(0.3 )
12.0 0.
(2. )
14.3 0.
(1. )
* 16.0 0.
(0.1 )
* 13.0 0.
(0.3 )
* 14.7 0.
(0.2 )
* 14. 0.
(0.4 )
C COMMENTS
150. BASED ON C19, W6
( 5. ) M = AR, N2, 02
USE WITH CAUTION
6.3 BASED ON B90
( 0.3) EVALUATION 300-3000K
SPIN HINDERED
OLD EXPERIMENTS
ACTUALLY MEASURED
NO + NO = N20 + 0
28. BASED ON B90
( 3. ) EVAL 1200-200K
SAME RATE AS
N20 + 0 = N2 + 02
60. BASED ON B19 (EST)
NOTE A
50. BASED ON F28,K30
NOTE D
65. BASED ON B90, T4
( 1.5) M=AR,02 1400-2400K
1. BASED ON B90
( 0.5) EVALUATION 300-600K
NO HI TEMP DATA
TEMP, KELVIN
300 1500 2000 2500
LOG K
-92.4 -6.0 -0.7 2.4
7.7 12.1 12.4 12.6
-6.4 9.9 10.9 11.6
-31.7 3.3 5.4 6.8
-22.1 7.0 8.8 9.9
-31.4 6.5 8.9 10.3
12.3 12.9 12.9 12.9
58.
( 3,
28,
( 4.
BASED ON B90, M
) EVAL 1300-2500K
= AR -27.6 6.2 8.4 9.6
BASED ON B90
) EVAL 1200-2500K
SAME RATE AS
N20 + 0 = NO + NO
-6.4 9.9 10.9 11.6
-------
RECOMMENDED RATES
REACTION
322R.
LOG A
* 18.4
* 19.4
(0.3
1500-2500K
B C COMMENTS 300
-1. 118.7 BASED ON J4, M = AR -70.6
-1. 118.7 BASED ON J4, M = 02 -69.6
) CRITICAL EVALUATION
WIDE TEMP RANGE
TEMP, KELVIN
1500 2000 2500
LOG K
-2.1 2.1 4.6
-1.1 3.1 5.6
M
OS
-------
8-1
8. ESTIMATES FOR ADDITIONAL REACTIONS*
A number of the reactions reported in the previous section as
being of potential importance had not been reported in the literature.
In addition, several of the rates reported in the literature were of
questionable accuracy. The rates given in this section were estimated
by the Physical Sciences Division of Stanford Research Institute under
EPA Grant No. R-800798. These rates appear in Report EPA-600/2-75-019,
"Estimating the Kinetics of Combustion".
The headings in this section are similar to those in Section 7,
* Estimates by S. W. Benson, D. M. Golden and R. Shaw, Stanford
Research Institute as indicated in the text.
-------
RECOMMENDED RATES
1500-2500K
REACTION LOG A B
1R. CH2 + CN = CH + CHN 12.5 0.
COMMENTS
38F. CH + NO = CHN + 0
39F. CH + NO = CHO + N
47F. CH + N2 = CHN + N
48F. CH + N2 « CN + HN
64R. CN + H2 = CHN + H
65R. CH2 + N2 = CHN + HN
85R. CHO + N = CHN + 0
86R. CN + HO - CHN + 0
12.3 0.
13.2 0.
* 13.3 0.
11.0 0.
14.5 0.
12.5 0.
14.0 0.
14.0 0.
12.5 0.
98R. CH2 + CH20 * CH3 + CHO 11.3 0.
114F. CHO « HO = CO + H20
10.5 1.
116F. CHO + H02 = CH20 + 02 14.0 0.
5.
( 3. )
0.
( 2. )
10.
( 6. )
13.
( 6. )
19.
92.
(20. )
5.
( 3. )
70.
(20. )
0.
( 2. )
3.
( 3. )
6.5
( 3. )
0.
( 3. )
3.
( 3. )
SPIN RETARDED
ORIG SRI ESTIMATE
SPIN RETARDED
REVISED SRI ESTIMATE
FOUR-CENTER
BASED ON EST ACTIV
ENERGY 40. FOR REV
BASED ON EST ACTIV
ENERGY 40. FOR REV
TEMP, KELVIN
300 1500 2000 2500
LOG K
8.9 11.8 12.0 12.1
12.3 12.3 12.3 12.3
5.9 11.7 12.1 12.3
3.8 11.4 11.9 12.2
-2.8 8.2 8.9 9.3
-52.5 1.1 4.4 6.5
8.9 11.8 12.0 12.1
-37.0 3.8 6.4 7.9
14.0 14.0 14.0 14.0
10.3 12.1 12.2 12.2
6.6 10.4 10.6 10.7
13.0 13.7 13.8 13.9
11.8 13.6 13.7 13.7
T
to
-------
RECOMMENDED RATES
1500-2500K
REACTION
133F. CHO + 0 = CO + HO
134F. CHO + 0 = C02 + H
135F. CHO + 02 = CO + H02
150R. CH3 + 02 = CH2 + H02
152F. CH2 + H2 = CH3 + H
159F. CH2 + NO = CH20 + N
LOG A B
11.5 1.
11.5 0.
12.2 0.
12.5 0.
12.5 0.
12.2 0.
172R. CH30 + M = CH20 * H + M 40.6 -7.5
174R. CH30 + N = CH20 + HN 14.0 0,
178R. CH30 + 0 = CH20 + HO 14.0 0,
179R. CH30 + 02 = CH20 + H02 12.0 0,
181R. CH30 + H = CH20 + H2
14.0 0.
184R. CH30 + HO = CH20 + H20 13.5 0,
206F. CH3 + 02 = CH30 + 0
12.5 0,
C COMMENTS
0.5
[ 3. )
0.
[ 3. )
7.
I 3. )
69.5 BASED ON EST ACTIV
[ 3. ) ENERGY 7. FOR REV
7.
I 3. )
7.
1 4. )
22.6 BASED ON HINSHELWOOD
[ 3. ) -LINDEMAN THEORY
0.
[ 3. )
0.
( 3. )
6.
( 3. )
0.
( 3. )
0.
( 3. )
30.
( 3. )
TEMP, KELVIN
300 1500 2000 2500
LOG K
13.6 14.6 14.7 14.9
11.5 11.5 11.5 11.5
7.1 11.2 11.4 11.6
-38.1 2.4 4.9 6.4
7.4 11.5 11.7 11.9
7.1 11.2 11.4 11.6
5.6 13.5 13.4 13.1
14.0 14.0 14.0 14.0
14.0 14.0 14.0 14.0
7.6 11.1 11.3 11.5
14.0 14.0 14.0 14.0
13.5 13.5 13.5 13.5
-9.4 8.1 9.2 9.9
oo
W
-------
9-1
9. REFERENCES
The references indicated elsewhere in this report are listed
in this section with a letter-number code. The letter indicates the
initial of the first author while the number sorting is done by acces-
sion order rather than alphabetically. This provides a semi-sorted
reference list which allows updating of the data base without renumber-
ing the references.
-------
9-2
REFERENCES
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-------
9-3
REFERENCES (CONT'D)
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9-4
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9-5
REFERENCES (CONT'D)
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9-6
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9-7
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9-8
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-------
9-9
REFERENCES (CONT'D)
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9-10
REFERENCES (CONT'D)
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9-11
REFERENCES (CONT'D)
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W 44. WAGNER, H. G., FOURTEENTH SYMPOSIUM (INTERNATIONAL) ON
COMBUSTION, 27 (1973).
-------
9-42
REFERENCES (CONT'D)
Y 1. YUAN, E. L., SLAUGHTER, J. I., KOERNER, W. £., AND DANIELS,
F., J. PHYS. CHEM. 63, 952 (1959).
Y 2. YOUNG, R.A. AMD BLACK, G., J. CHEM. PHYS. «*t 3741 (1966).
-------
9-43
REFERENCES (CONT'D)
Z 1. ZEEGERSt P. J. TH., AMD ALKEMADEt C. TH. J., COMBUSTION AND
FLAME 9, 247 (1965).
Z 2. ZEEGERS, P. J. TH., AND ALKEMADE, C. TH. J., TENTH SYMPOSIUM
(INTERNATIONAL) ON COMBUSTION, 33 (1965).
Z 3. ZEEGERS, P. J. T., THESIS, UNIVERSITY OF UTRECHT, HOLLAND,
(1966).
Z 4. ZIMET, E., J. CHEM. PHYS. 53, 515 (1970).
Z 5. ZASLONKO, I. S., KOGARKO, S. M., AND MOZZHUKHIN, E. V.,
KINETICS AND CATALYSIS 10, 987 (1969).
-------
A-l
APPENDIX A
THERMOCHEMISTRY OF CH 0
Only limited information on the thermochemistry of
was available at the time of this survey. A paper by D.V.S. Jain
and M. M. Kapoor in the Proceedings of the National Institute of Science
of India (V. A27, No. 2, pp 101-105, 1961) provided estimates for properties
from 298-1500K. While no information on C^O was available in the JANNAF
Tables of Thermochemical Data, there was information on CH^F which should
have a similar heat capacity. The value of the heat of formation of 0130
was taken from J. A. Kerr, M. J. Parsonage and A. F. Trotman-Dickenson,
Handbook of Chemistry and Physics, 54th edition, p. F-210 (1973).
The thermochemistry of CH^O was calculated from the values* of C°
for CHsF as given in the JANNAF tables of Thermochemical Data. The p
following procedures were used in the calculations.
AH° (CH_0) =3.0 kcal/mole
298
Assume C°(CH_0) = C°(CH,F)
p 3 P 3
C
°
Use S° = J ^ dT
AHL =
i
S° = -(GJ-HJ)/T = (H°-H°9g)/T - (G°-H°9g)/T
SJ
AG; = AH° - T(S; - zs; ) = RT in K
rT T cpd elem
* Table dated December 31, 1963.
-------
A-2
To calculate thermochemistry of CH30 relative to CH3F
f»TT f\ f* | *^ TT I ^~ f\
Cn»0 - C + -r- n- + ^ U?
J £ £ £m 4m
4+l'2
f
CH30 - CH3F = | 02 - | F2
CH 0 = CH.F + i 0 - ^ F9
*3 O £f £f £ £e
To calculate AH° for CH 0 vs. CH_F
T
AH° (CH 0) - AH° (CH F) = AH° (CH 0) - AH° (CH F)
+ (HJ-HJ98)CH o -
To calculate AG° for CH 0 vs. CH.F
. w
I °2 I F2
AG° (CH 0) - AG° (CH»F) = AH° (CH 0) - AH° (CH F)
*V T T" T" *
- TSJ(CH30) + TS°(CH3F)
+ TS°(| 02) - TSJ(| F2)
-------
A-3
The values calculated for CH-0 are as follows;
- -1 , -1
cal mole deg
kcal mole
-1
, °K
^PB^P-V^
298
500
1000
1500
2000
2500
3000
3500
4000
4500
5000
5500
6000
C°
P
8.963
12.256
18.440
21.550
23.135
24.006
24.523
24.851
25.072
25.226
25.338
25.423
25.487
S°
53.252
58.638
69.263
77.400
83.841
89.106
93.532
97.339
100.672
103.635
106.299
108.718
110.933
_(G°-H°98)
T
53.252
54.375
59.288
64.026
68.203
71.874
75.125
78.032
80.658
83.050
85.244
87.270
89.150
H°-H298
0.000
2.132
9.975
20.062
31.275
43.080
55.223
67.572
80.056
92.633
105.275
117.966
130.694
AH°
3.000
1.726
0.021
-0 . 346
-0.218
0.039
0.273
0.420
0.434
0.296
-0.002
-0.460
-1.081
AG°
8.790
13.085
25.251
37.982
50.743
63.452
76.114
88.742
101.360
113.972
126.622
139.312
155.019
Log K
-6.447
-5.719
-5.519
-5.534
-5.545
-5.547
-5.545
-5.541
-5.538
-5.535
-5.535
-5.548
-5.647
-------
B-l
APPENDIX B
CROSS-INDEX OF REACTIONS FOR 25 SPECIES
As an aid to seeking competitive reactions between the same
species or reactions between a given species and competitive partners,
a complete sorting of the reactions for each species is provided in
this section. For example, if one were seeking reactions to break the
NsN bond in molecular nitrogen, all the reactions of N£ are listed to-
gether. If one were seeking reactions to produce N atoms, all the
reactions involving N atoms are listed together. These lists are also
useful in determining the probable relative importance of competing
reactions as well as determining whether the relative rates used for
competing reactions are reasonable.
The species covered in this Appendix are:
CH HN
CHN HNO
CHO HO
CH2° H2
N
CH4 NO
CN N0
CO N
H 0
°2
-------
B-2
REACTI
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
A
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.
ONS OF CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
+ CHN
+ CHO
+ CH20
» CH20
+ CH3
+ CH30
+ CH30
* CH30
+ CH4
+ C02
+ H + M
+ HN
+ HN
+ HN
+ HNO
+ HNO
+ HNO
+ HNO
+ HNO
+ HO
+ HO
+ HO + M
* HO
+ H02
* H02
= CH2
= CH2
= CHO
= CH3
= CH2
= CHO
= CH2
= CH4
= CH2
= CHO
= CH2
= CHN
= CH2
= CN
= CHN
= CHO
= CH2
= CH20
= CN
= CHO
= CH2
= CH20
= CO
= CHO
= CH2
* CM
+ CO
* CH2
+ CO
* CH2
+ CH3
+ CH20
+ CO
-» CH3
+ CO
+ H
N
+ H2
» HO
+ HN
+ NO
+ N
+ H20
* H
+ 0
+ H2
+ HO
* 02
M
M
-------
B-3
REACTIONS OF CH
A 26. CH + H02 = CH20 * 0
A 27. CH + H02 = CO + H20
A 28. CH + H02 = C02 + H2
A 29. CH + H2 = CH2 + H
A 30. CH + H2 + M = CH3 + M
A 31. CH + H20 = CHO + H2
A 32. CH * H20 = CH2 * HO
A 33. CH + H20 = CH20 + H
A 34. CH + H20 = CH3 + 0
A 35. CH « H20 * M = CH30 « M
A 36. CH + N + M = CHN * M
A 37. CH + N = CN * H
A 38. CH -I- NO = CHN + 0
A 39. CH + NO = CHO * N
A 40. CH * NO = CN * HO
A 41. CH + NO = CO + HN
A 42. CH + N02 = CHN + 02
A 43. CH + N02 = CHO + NO
A 44. CH + N02 = CN * H02
A 45. CH + N02 = CO + HNO
A 46. CH + N02 * C02 + HN
A 47. CH * N2 = CHN * N
A 48. CH * N2 = CN + HN
A 49. CH * N20 = CHN * NO
A 50. CH + N20 = CHO * N2
-------
B-4
REACTIONS OF CH
A 51. CH + N20 = CM + HNO
A 52. CH + 0 + M = CHO + M
A 53. CH + 0 = CO + H
A 54. CH -» 02 = CHO + 0
A 55. CH * 02 * CO + HO
A 56. CH + 02 = C02 * H
-------
B-5
REACT!
^
W
A
B
A
A
A
A
A
C
A
A
A
A
A
C
A
A
A
A
A
A
A
A
A
A
36.
57.
1.
58.
59.
60.
61.
62.
12.
63.
64.
65.
66.
67.
15.
68.
69.
70.
71.
72.
73.
74.
75.
76.
77.
ONS OF CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
4-
4-
4-
4-
4-
4-
4-
4-
f
4-
4-
4-
4-
4-
f
4-
4-
4-
4-
4-
4-
4-
4-
+ M
4- M
CH
CHO
CH2
CH20
CH3
CO
H
H
H
HN
HNO
HNO
HO
HO
HO
HO
HO
H02
H02
H02
H2
H2
H20
= CH
= CN
= CH2
= CH20
= CH3
= CH30
= CH4
= CHO
= CH
= CH2
x CN
= CH2
= CH2
= CH20
= CH
= CHO
= CH2
= CH20
= CN
= CHO
= CH2
= CH20
= CH2
= CH3
= CH2
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
f
N + M
H 4- M
CN
CN
CM
CN
CN
CN
HN
N
H2
N2
N20
N2
HNO
HN
NO
N
H20
HNO
N02
NO
HN
N
HNO
-------
B-6
REACTIONS OF CHN
A 78. CHN + H20 = CH20 * HN
A 79. CHN + H20 = CH3 + NO
A 80. CHN + H20 = CH30 + N
C 47. CHN + N = CH + N2
A 81. CHN * N = CN + HN
C 49. CHN + NO = CH * N20
A 82. CHN + NO = CHO + N2
A 83. CHN + NO = CN * HNO
A 84. CHN + N02 = CHO + N20
C 38. CHN + 0 = CH + NO
A 85. CHN + 0 = CHO * N
A 86. CHN -f 0 = CN + HO
A 87. CHN -i- 3 = CO * HN
C 42. CHN +02 = CH + N02
A 88. CHN » 02 = CHO + NO
A 89. CHN +02 = CN + H02
A 90. CHN +02 = CO + HNO
A 91. CHN +02 = C02 + HN
-------
B-7
REACT!
C 52.
A 92.
B 2.
B 58.
A 93.
A 94.
C 3.
A 95.
A 96.
A 97.
C 6.
A 98.
A 99.
A100.
A101.
A102.
A103.
C 62.
C 10.
C 20.
A104.
A105.
A106.
C 16.
C 68.
ONS OP
CHO
CHO
CHO +
CHO +
CHO +
CHO +
CHO *
CHO +
CHO +
CHO *
CHO +
CHO +
CHO +
CHO +
CHO +
CHO +
CHO +
CHO *
CHO +
CHO +
CHO «
CHO +
CHO *
CHO +
CHO +
CHO
+ M
+ M
CH
CHN
CHO
CHO
CH2
CH2
CH20
CH20
CH3
CH3
CH3
CH30
CH30
CH4
CH4
CN
CO
H
H
H * M
H
HN
HN
= CH
= CO
= CH2
= CH20
= CH2
= CH20
» CH
* CH3
= CH3
= CH30
= CH
= CH2
= CH4
= CH20
= CH4
= CH2
= CH20
= CHN
* CH
* CH
- CH2
= CH20
= CO
* CH
= CHN
* 0 + M
+ H + M
+ CO
* CN
* C02
+ CO
+ CH20
'* CO
* C02
* CO
+ CH30
* CH20
» CO
+ CH20
* C02
+ CH30
+ CH3
* CO
+ C02
* HO
* 0
+ H
+ H2
+ HNO
+ HO
-------
REACTIONS OF CHO
B-8
A107.
A108.
A109.
C 72.
A110.
Alll.
C 24.
A112.
A113.
A114.
A115.
A116.
A117.
C 31.
A118.
A119.
A120.
A121.
A122.
A123.
A124.
A125.
C 39.
C 85.
A126.
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHD
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
+ HN
+ HN
+ HN
+ HNO
+ HNO
+ HNO
* HO
* HO
* HO
+ HO
+ HO
+ H02
+ H02
+ H2
+ H2
+ H2
+ H2
+ H2 + M
+ H20
+ H20
+ H20
+ H20
+ N
+ M
+ N
= CH2 +
= CH20 *
= CN +
= CHN +
= CH2 +
= CH20 +
= CH +
= CH2 +
= CH20 +
= CO +
= C02 +
= CH20 *
= C02 +
= CH +
= CH2 -^
= CH20 +
= CH3 +
= CH30
= CH2 +
= CH20 +
= CH3 +
= CH30 *
= CH +
= CHN *
= CN *
NO
N
H20
H02
N02
NO
H02
02
0
H20
H2
02
H20
H20
HO
H
0
H02
HO
02
0
NO
0
HO
M
-------
B-9
REACTIONS OF CHO
A127. CHO + N = CO * HM
C 43. CHO + NO = CH + N02
C 88. CHO + NO = CHN S- 02
A128. CHO » NO = CN + H02
A129. CHO + NO = CO + HNO
A130. CHO + NO = C02 » HN
A131. CHO + N02 = C02 + HNO
C 50. CHO + N2 = CH + N20
C 82. CHO + N2 = CHN + NO
A132. CHO + N2 = CN + HNO
C 84. CHO > N20 = CHN + N02
C 54. CHO +0 = CH + 02
A133. CHO * 0 = CO * HO
A134. CHO + 0 = C02 + H
A135. CHO * 02 = CO + H02
A136. CHO +02 = C02 + HO
-------
REACTIONS OF CH2
B-10
C 11.
B 59.
D 3.
B 95.
C 5.
C 7.
C 98.
A137.
C 9.
C102.
A138.
A139.
C 1.
C 2.
C 93.
A140.
C 29.
A141.
C 75.
A142.
C 77.
A143.
A144.
A145.
C 32.
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
+ M
* CHN
+ CHO
+ CHO
+ CH2
+ CH20
+ CH20
+ CH20
* CH3
* CH30
* CH30
+ CH4
+ CN
» CO
+ C02
+ C02
+ H
+ H * M
+ HN
+ HN
+ HNO
+ HNO
+ HNO
+ HNO
+ HO
= CH
= CH3
= CH
= CH3
= CH
= CH
= CHO
= CH4
= CH
= CHO
= CH20
= CH3
= CH
= CH
= CHO
= CH20
= CH
= CH3
= CHN
= CH3
= CHN
= CH20
= CH3
= CH30
= CH
+ H
+ CN
* CH20
+ CO
+ CH3
+ CH30
+ CH3
+ CO
» CH4
+ CH4
+ CH3
* CH3
+ CHN
* CHO
* CHO
+ CO
* H2
* H2
+ N
+ H20
+ HN
* NO
+ N
* H20
* M
+ M
-------
B-ll
REACTIONS OF CH2
C118. CH2 HO
Al*6. CH2 + HO
A147. CH2 » HO
A148. CH2 + HO
C122. CH2 + H02
A149. CH2 + H02
A150. CH2 + H02
A151. CH2 + H02
A152. CH2 + H2
A153. CH2 + H2
A154. CH2 + H20
A155. CH2 + H20
A156. CH2 + H20
A157. CH2 H20
C 13. CH2 + N
C 63. CH2 * N
A158. CH2 + N
C 17. CH2 + NO
C 69. CH2 + NO
C107. CH2 + NO
A159. CH2 + NO
A160. CH2 + NO
C 73. CH2 + N02
C110. CH2 + N02
A161. CH2 + N02
M
M
CHO * H2
CH20 * H
CH3 + 0
CH30
CHO + H20
CH20 + HO
CH3 + 02
CH30 + 0
CH3 + H
CH4
CH20 + H2
CH3 + HO
CH30 * H
CH4 + 0
CH + HN
CHN + H
CN * H2
CH + HNO
CHN + HO
CHO + HN
CH20 + N
CN + H20
CHN * H02
CHO + HNO
CH20 « NO
M
M
-------
B-12
REACTIONS OF CH2
C 65. CH2 + N2
C 66. CH2 + N20
A162. CH2 + N20
C 21. CH2 * 0
C104. CH2 « 0
A163. CH2 +0
A164. CH2 + 0
C 25. CH2 + 02
C112. CH2 + 02
A165. CH2 -> 02
A166. CH2 + 02
A167. CH2 + 02
= CHN + HN
= CHN + HNO
= CH20 « N2
= CH + HO
= CHO * H
M = CH20 + M
= CO * H2
= CH * H02
= CHO » HO
= CH20 + 0
= CO * H20
= C02 + H2
-------
B-13
REACT
: 22.
C105.
C163.
A168.
B 3.
B 4.
B 60.
B 96.
B 97.
0 7.
D 98.
B137.
C100.
A169.
C103.
C138.
A170.
C 58.
C 94.
C140.
C 33.
C119.
C146.
A171.
A172.
IONS OF
CH20
CH20
CH20
CH20
CH20 +
CH20 +
CH20 +
CH20 +
CH20 4-
CH20 +
CH20 +
CH20 +
CH20 *
CH20 +
CH20 +
CH20 +
CH20 *
CH20 +
CH20 +
CH20 +
CH20 *
CH20 «
CH20 *
CH20 +
CH20 +
CH20
+ M
+ M
+ M
» M
CH
CH
CHN
CHO
CHO
CH2
CH2
CH2
CH20
CH20
CH3
CH3
CH4
CN
CO
CO
H
H
H
H
H + M
= CH
= CHO
= CH2
= CO
= CHO
= CH3
= CH30
= CH3
= CH30
- CH
= CHO
= CH*
= CHO
= CH4
= CHO
= CH2
= CH3
= CHN
= CHO
= CH2
= CH
= CHO
= CH2
= CH3
= CH30
4- HO
+ H
+ 0
* H2
+ CH2
* CO
+ CN
* C02
* CO
+ CH30
* CH3
* CO
* CH30
* C02
* CH4
+ CH30
+ CH30
+ CHO
+ CHO
+ C02
+ H20
+ H2
4- HO
* 0
* M
* M
+ M
+ M
+ M
-------
B-14
REACTIONS OF CH20
C 78.
C143.
A173.
A174.
A175.
A176.
C123.
C149.
A177.
A178.
A179.
C154.
A180.
A18L.
A182.
A183.
A184.
A185.
C 18.
C 70.
C108.
C159.
A186.
C 74.
cm.
CH20 +
CH20 +
CH20 +
CH20 +
CH20 +
CH20 +
CH20 +
CH20 +
CH20 «
CH20 «
CH20 *
CH20 +
CH20 *
CH20 +
CH20 +
CH20 »
CH20 +
CH20 +
CH20 +
CH20 +
CH20 +
CH20 +
CH20 *
CH20 *
CH20 »
HN
HN
HN
HN
HNO
HNO
HO
HO
HO
HO
H02
H2
H2
H2
H2
H20
H20
H20
N
M
N
N
N
NO
NO
= CHN
= CH2
= CH3
= CH30
= CH3
= CH30
= CHO
= CH2
= CH3
= CH30
= CH30
= CH2
= CH3
= CH30
= CH4
= CH3
= CH30
= CH4
= CH
= CHN
= CHO
= CH2
= CN
= CHN
= CHO
+ H20
» HNO
+ NO
* N
+ N02
+ NO
+ H20
+ H02
* 02
+ 0
* 02
+ H20
+ HO
+ H
+ 0
* H02
+ HO
+ 02
+ HNO
+ HO
+ HN
+ NO
* H20
+ H02
+ HNO
-------
B-15
REACTIONS OF CH20
C161. CH20 + NO
C 67. CH20 + N2
C162. CH20 + N2
C 26. CH20 ! 0
C113. CH20 + 0
C165. CH20 + 0
A187. CH20 + 0
A188. CH20 -i- 0
C116. CH20 + 02
A189. CH20 + 02
= CH2 * N02
= CHN + HMO
= CH2 + N20
= CH + H02
= CHO * HO
= CH2 * 02
= CO + H20
= C02 » H2
= CHO + H02
= C02 * H20
-------
B-16
REACTI
C 30.
C141.
B 5.
B 61.
D 6.
B 98.
B 99.
0 9.
D103.
D138.
C139.
C170.
C 59.
C 4.
C 95.
C 96.
A190.
C152.
A191.
A192.
A193.
A194.
C155.
C180.
A195.
ONS OF CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
4-
4-
4-
4-
4-
*
4-
+
4-
4-
4-
4-
4-
f
4-
f
4-
4-
f
f
4-
4-
f
+ M
» M
CH
CHN
CHO
CHO
CHO
CH2
CH20
CH20
CH3
CH30
CN
CO
CO
C02
C02
H
H + M
HN
HNO
HNO
HO
HO
HO
= CH
= CH2
= CH2
= CH4
= CH
= CH2
= CH4
= CH
= CHO
= CH2
= CH2
= CH20
= CHN
a CH
= CHO
= CHO
= CH30
- CH2
= CH4
= CH4
» CH30
= CH4
= CH2
= CH20
= CH30
+
f
*
+
*
4-
f
4-
+
f
+
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
H2 4- M
H 4- M
CH2
CN
CH30
CH20
CO
CH4
CH4
CH30
CH4
CH4
CH2
CH20
CH2
CH20
CO
H2
4- H
N
HN
NO
H20
H2
H
-------
B-17
REACTIONS OF CH3
A196. CH3 * HO
C183. CH3 + H02
A197. CH3 + H02
A198. CH3 -I- H02
A199. CH3 + H2
A200. CH3 > H20
A201. CH3 -i- H20
C 76. CH3 + N
C142. CH3 + N
C 79. CH3 + NO
>. CH3 + NO
C173. CH3 + NO
A202. CH3 + NO
C175. CH3 + N02
A203. CH3 -i- N02
A204. CH3 + N20
C 3*. CH3 + 0
C120. CH3 + 0
Cl*7. CH3 * 0
C171. CH3 + 0
A205. CH3 + 0
C124. CH3 + 02
C150. CH3 + 02
C177. CH3 + 02
A206. CH3 + 02
M
CH4 * 0
CH20 + H20
CH30 « HO
CH4 + 02
CH4 » H
CH30 + H2
CH4 + HO
CHN + H2
CH2 + HN
CHN + H20
CH2 + HNO
CH20 + HM
CH30 + N
CH20 + HNO
CH30 + NO
CH30 + N2
CH + H20
CHO + H2
CH2 + HO
CH20 » H
CH30
CHO + H20
CH2 + H02
CH20 * HO
CH30 + 0
M
-------
B-18
REACTIONS OF CH30
C 35.
C121.
C148.
C172.
C205.
B 6.
B 7.
B 8.
B100.
B101.
D102.
B138.
D170.
C 60.
C 97.
C190.
C156.
C181.
C195.
A207.
C193.
A208.
A209.
C184.
C197.
CH30
CH30
CH30
CH30
CH30
CH30 +
CH30 *
CH30 +
CH30 +
CH30 +
CH30 +
CH30 +
CH30 +
CH30 +
CH30 +
CH30 +
CH30 *
CH30 *
CH30 *
CH30 +
CH30 *
CH30 *
CH30 *
CH30 «
CH30 +
+ M
+ M
+ H
+ M
+ M
CH
CH
CH
CHO
CHO
CH2
CH2
CH3
CM
CO
CO
H
H
H
H
HN
HN
HNO
HO
HO
= CH *
= CHO +
= CH2 +
= CH20 +
= CH3 +
= CHO +
= CH2 +
= CH4 +
= CH20 +
= CH4 +
= CHO *
= CH20 *
= CH20 +
= CHN +
= CHO »
= CH3 +
= CH2 *
= CH20 +
= CH3 «
= CH4 *
= CH3 +
= CH
-------
B-19
REACTIONS OF CH30
A210. CH30 + HO
C200. CH30 + H2
A211. CH30 + H2
A212. CH30 + H20
C 80. CH30 + N
C1A5. CH30 + M
C17*. CH30 + N
C202. CH30 + N
C176. CH30 + NO
C203. CH30 + NO
C204. CH30 + N2
C125. CH30 + 0
C151. CH30 + 0
C178. CH30 + 0
C206. CH3Q + 0
C179. CH30 + 02
= CH4 + 02
= CH3 + H20
= CH4 + HO
= CH4 » H02
= CHN * H20
= CH2 + HNO
= CH20 + HN
= CH3 + NO
= CH20 * HNO
= CH3 + N02
= CH3 * N20
= CHO * H20
= CH2 + H02
= CH20 + HO
= CH3 » 02
= CH20 -i- H02
-------
REACTIONS OF CH4
B-20
C153.
C191.
B 9.
B102.
B103.
B139.
B170.
C 61.
C 8.
C 99.
C137.
C101.
C169.
C199.
C201.
C211.
C212.
C192.
C19*.
C208.
C209.
C157.
C182.
C196.
C207.
CH*
CH*
CH*
CH*
CH*
CH*
CH*
CH*
CH*
CH*
CH*
CH*
CH*
CH*
CH*
CH*
CH*
CH*
CH*
CH*
CH*
CH*
CH*
CH*
CH*
4- M
4- M
4- CH
4- CHO
4- CHO
4- CH2
4- CH20
+ CN
4- CO
4- CO
4- CO
4- C02
4- C02
4- H
4- HO
4- HO
4- H02
4- N
4- NO
4- NO
4- N02
4- 0
4- 0
4- 0
4- 0
= CH2
= CH3
= CH2
= CH2
= CH20
= CH3
= CH3
= CHN
= CH
= CHO
= CH2
= CHO
= CH20
= CH3
= CH3
= CH30
= CH30
- CH3
= CH3
= CH30
= CH30
= CH2
= CH20
= CH3
= CH30
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
+
4-
4-
4-
4-
4-
4-
4-
4-
4-
+
H2 4- M
H 4- M
CH3
CH30
CH3
CH3
CH30
CH3
CH30
CH3
CH20
CH30
CH20
H2
H20
H2
H20
HN
HNO
HN
HNO
H20
H2
HO
H
-------
n-21
REACTIONS OF CH*
C185. CH4 * 02 = CH20 + H20
C198. CH4 4-02 = CH3 + H02
C210. CH* + 02 = CH30 « HO
-------
B-22
REACTI
D 62.
0 1.
D 58.
0 59.
0 60.
D 61.
C 37.
C 57.
C 48.
C 81.
C 51.
C 83.
C132.
C 40.
C 86.
C126.
A213.
C 44.
C 89.
C128.
A214.
A215.
C 14.
C 64.
C158.
ONS OF CN
CN
CN
CN
CN
CN
CN
CN
CN
CN
CN
CN
CN
CN
CN
CN
CN
CN
CN
CN
CN
CN
CN
CN
CN
CN
+
+
+
4-
+
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
CHO
CH2
CH20
CH3
CH30
CH4
H
H + M
HN
HN
HNO
HNO
HNO
HO
HO
HO
HO
H02
H02
H02
H02
H02
H2
H2
H2
= CHN
= CH
= CHN
= CHN
= CHN
= CHN
= CH
= CHN
= CH
= CHN
= CH
= CHN
= CHO
* CH
= CHN
= CHO
= CO
= CH
= CHN
= CHO
= CO
= C02
= CH
= CHN
= CH2
* CO
* CHN
+ CHO
+ CH2
* CH20
+ CHS
+ N
* N2
+ N
+ N20
+ NO
* N2
« NO
» 0
+ N
+ HN
+ N02
* 02
4- NO
+ HMO
+ HN
4- HN
4- H
+ N
-------
B-23
REACTIONS OF CN
C 19. CN + H20 = CH + HNO
C 71. CN + H20 = CHN + HO
C109. CN + H20 = CHO + HM
C160. CN + H20 = CH2 + NO
C186. CN + H20 = CH20 + N
A216. CN + NO = CO * N2
A217. CN + N02 = CO + N20
A218. CN * M02 = C02 « N2
A219. CN * 0 = CO * N
A220. CN + 02 = CO + NO
A221. CN * 02 = C02 + N
-------
B-24
REACTI
B 62.
D 10.
0 2.
D 94.
D140.
0 4.
D 95.
D 97-
D190.
0 8.
D 99.
0137.
C 53.
C 92.
C 41.
C 87.
C127.
C213.
C 45.
C 90.
C129.
C214.
A222.
C 55.
C133.
ONS
CO
CO
CO
CO
CO
CO
CO
CO
CO
CO
CO
CO
CO
CO
CO
CO
CO
CO
CO
CO
CO
CO
CO
CO
CO
OF CO
* CHN
+ CHO
+ CH2
+ CH20
« CH20
+ CH3
+ CH3
+ CH30
+ CH30
+ CH4
+ CH4
+ CH4
+ H
+ H * M
+ HN
+ HN
+ HN
+ HN
+ HNO
* HNO
+ HNO
+ HNO
+ HNO
* HO
* HO
= CHO
= CH
= CH
= CHO
= CH2
= CH
= CHO
= CHO
= CH3
= CH
= CHO
= CH2
= CH
= CHO
= CH
= CHN
= CHO
= CN
= CH
= CHN
= CHO
= CN
= C02
= CH
= CHO
+ CN
+ C02
+ CHO
+ CHO
+ C02
+ CH20
+ CH2
+ CH20
+ C02
+ CH30
+ CHS
* CH20
+ 0
+ NO
+ 0
* N
+ HO
+ N02
+ 02
+ NO
+ H02
+ HN
+ 02
+ 0
M
-------
B-25
REACTIONS OF CO
A223. CO -> HO
C135. CO * H02
A224. CO + H02
C 23. CO + H2
C106. CO + H2
CL64. CO + H2
C168. CO * H2 * M
C 27. CO + H20
C114. CO + H20
C166. CO + H20
C187. CO + H20
A225. CO + H20
C219. CO + N
C220. CO + NO
A226. CO + NO
A227. CO -i- N02
t
C216. CO + N2
C217. CO ! N20
A228. CO + N20
A229. CO + 0 + M
A230. CO + 02
= C02 + H
= CHO + 02
= C02 * HO
= CH + H3
* CHO « H
= CH2 + 0
= CH20 « M
= CH + H02
= CHO + HO
= CH2 + 02
= CH20 * 0
* C02 * H2
= CN +0
= CN +02
= C02 + N
= C02 + NO
= CN + NO
= CN + N02
= C02 + N2
= C02 + M
= C02 + 0
-------
B-26
REACTI
C229.
B 10.
D 93.
6140.
D 96.
B190.
D101.
D169.
C 56.
C134.
C223.
C 46.
C 91.
C130.
C215.
C222.
C131.
C136.
0224.
C 28.
C115.
C167.
C188.
C225.
C117.
ONS OF C02
C02
C02
C02
002
C02
C02
C02
C02
C02
C02
C02
C02
C02
C02
002
002
002
002
002
002
002
002
002
002
002
4-
4-
4-
4-
4-
4-
4-
4-
+
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4- M
OH
OH2
OH2
CH3
CH3
CH4
CH4
H
H
H
HN
HN
HN
HN
HN
HNO
HO
HO
H2
H2
H2
H2
H2
H20
= CO
= OHO
= OHO
= CH20
= OHO
= CH30
= OHO
= OH20
= OH
= OHO
= CO
= OH
= CHN
= CHO
= ON
= CO
= CHO
= CHO
= CO
= CH
= CHO
= CH2
= CH20
= CO
= CHO
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
0 + M
CO
CHO
CO
CH20
CO
CH30
OH20
02
0
HO
N02
02
NO
H02
HNO
N02
02
H02
H02
HO
02
0
H20
H02
-------
B-27
REACTI3NS OF C02
C189. C02 + H20 = CH20 + 02
C221. C02 + N = CN + 02
C226. C02 + N = CO + NO
C227. C02 + NO = CD + N02
C218. C02 + N2 = CN + N02
C228. C02 + N2 = CO + N20
C230. C02 +0 = CO * 02
-------
B-28
REACTIONS
B 11. H
D 12. H
B 63. H
B 64. H
D 20. H
B104. H
B105. H
B106. H
D 29. H
B141. H
D 33. H
0119. H
0146. H
B171. H
B172. H
0152. H
B191. H
0156. H
0181. H
0195. H
B207. H
0199. H
D 37. H
D 57. H
0 53. H
OF H
* CH + M
* CHN
* CHN
* CHN
* CHO
+ CHO
+ CHO + M
+ CHO
+ CH2
+ CH2 * M
+ CH20
* CH20
+ CH20
+ CH20
+ CH20 + M
* CH3
+ CH3 « M
+ CH30
« CH30
+ CH30
+ CH30
+ CH4
+ CN
* CN * M
+ CO
= CH2 * M
= CH + HN
= CH2 + N
= CN » H2
= CH * HO
= CH2 * 0
« CH20 » M
= CO * H2
= CH * H2
= CH3 * M
= CH * H20
= CHO » H2
= CH2 + HO
= CH3 * 0
= CH30 + M
= CH2 + H2
= CH4 * M
= CH2 * H20
= CH20 + H2
= CH3 + HO
= CH4 * 0
= CH3 + H2
* CH + N
= CHN * M
CH * 0
-------
B-29
REACTIONS OF H
0 92. H + CO + M = CHO * M
D 56. H + C02 = CH + 02
0134. H + C02 = CHO + 0
D223. H + C02 = CO + HO
A231. H +H +M =H2 +M
A232. H + HN = H2 + N
A233. H + HNO = HN * HO
A234. H + HNO = H2 + NO
A235. H + HNO = H20 + N
A236. H + HO = H2 + 0
A237. H + HO « M = H20 * M
A238. H + H02 = HO + HO
A239. H + H02 = H2 +02
A240. H « H02 = H20 + 0
A241. H * H20 = HO + H2
A242. H+N+M =HN +M
A243. H * NO = HN * 0
A244. H » NO * M = HNO + M
A245. H « NO = HO + N
A246. H * N02 = HN +02
A247. H + N02 = HNO + 0
A248. H + N02 = HO * NO
A249. H + N02 = H02 + N
A250. H + N2 = HN + N
A251. H * N20 = HN * NO
-------
B-30
REACTIONS OF H
A252. H + N20 = HNO + N
A253. H + N20 = HO + N2
A254. H +0 + M =HO + M
A255. H -1-02 = HO + 0
A256. H + 02 + M s H02 + M
-------
B-31
REACT
C242.
B 12.
B 13.
B 14.
B 65.
0 16.
0 68.
B107.
BIOS.
B109.
D 75.
B142.
D 78.
0143.
B173.
B174.
B192.
0193.
B208.
0 48.
D 81.
0 41.
D 87.
0127.
0213.
IONS
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
OF HN
4- M
* CH
4- CH
* CH
+ CHN
+ CHO
* CHO
+ CHO
4- CHO
4- CHO
* CH2
* CH2
4- CH20
4- CH20
* CH20
* CH20
4- CH3
4- CH30
4- CH30
4- CN
4- CN
4- CO
4- CO
4- CO
4- CO
= H
= CHN
= CH2
= CN
= CH2
= CH
= CHN
» CH2
= CH20
= CN
= CHN
= CH3
= CHN
= CH2
= CH3
= CH30
= CH4
= CH3
- CH4
= CH
* CHN
= CH
= CHN
= CHO
= CN
4- N 4- M
4- H
4- N
4- H2
4- N2
4- HNO
4- HO
4- NO
4- N
+ H20
+ H2
4- N
4- H20
* HNO
4- NO
4- N
4- N
4- HNO
4- NO
+ N2
4- N
+ NO
4- 0
4- N
* HO
-------
B-32
REACTIONS OF HN
D 46.
0 91.
D130.
0215.
0222.
B232.
A257.
A258.
A259.
C233.
A260.
A261.
A262.
A263.
A264.
A265.
C250.
C251.
A266.
A267.
A268.
A269.
A270.
A271.
C243.
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
HN
+ C02
+ C02
+ C02
+ C02
* C02
+ H
+ HN
* HNO
+ HNO
+ HO
+ HO
+ HO
+ H02
» H02
+ H02
+ H20
+ N
+ NO
* NO
+ NO
+ N02
+ N02
* N02
+ N20
+ 0
= CH
= CHN
* CHO
= CN
= CO
= H2
= H2
= H2
= H20
= H
= H2
= H20
= HNO
= H2
= H20
= HNO
= H
= H
= HNO
* HO
= HNO
= HO
= H02
= HNO
* H
+ N02
+ 02
+ NO
+ H02
+ HNO
+ N
+ N2
+ N20
+ N2
+ HNO
+ NO
+ N
+ HO
+ N02
+ NO
+ H2
* N2
+ N20
* N
* N2
+ NO
+ N20
+ N2
+ N2
* NO
-------
B-33
REACTIONS OF HN
A272. HN
A273. HN
C246. HN
+
+
+
+
+
+
0
0
02
02
02
02
+ M = HNO
= HO
= H
= HNO
= HO
= H02
+
+ N
» N02
+ 0
+ NO
+ N
-------
B-34
REACTI
C244.
C272.
A277.
B 15.
B 16.
B 17.
B 18.
B 19.
B 66.
B 67.
D 72.
8110.
Bill.
D 77.
8143.
8144.
8145.
8175.
8176.
8193.
8194.
B209.
D 51.
D 83.
D132.
ONS OF
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
+ M
+ M
+ M
+ CH
+ CH
+ CH
+ CH
+ CH
+ CHN
+ CHN
+ CHO
+ CHO
+ CHO
+ CH2
+ CH2
* CH2
+ CH2
* CH20
+ CH20
* CHS
+ CH3
+ CH30
+ CN
+ CN
+ CN
= H
= HN
= HO
* CHN
= CHO
= CH2
= CH20
= CN
= CH2
» CH20
= CHN
= CH2
= CH20
= CHN
= CH20
= CH3
= CH30
= CH3
= CH30
= CH30
= CH4
* CH4
= CH
= CHN
= CHO
* NO * M
+ 0 + M
* N + M
HO
+ HN
* NO
+ N
+ H20
* N20
+ N2
* H02
* N02
+ NO
+ H20
+ HN
+ NO
+ N
* N02
* NO
+ HN
+ NO
+ N02
+ N20
+ NO
+ N2
-------
B-35
REACTIONS OF HNO
0 45. HNO + CO = CH + N02
D 90. HNO + CO = CHN + 02
D129. HNO + CO = CHO + NO
D214. HNO + CO = CN + H02
B222. HNO + CO = C02 « HN
0131. HNO + C02 = CHO + N02
B233. HNO * H = HN * HO
B234. HNO + H = H2 + NO
B235. HNO + H = H20 + N
B258. HNO * HN = H2 + N20
B259. HNO * HN = H20 + N2
A278. HNO + HNO = H20 * N20
C262. HNO + HO = HN * H02
A279. HNO + HO = H2 + N02
A280. HNO + HO = H20 + NO
A281. HNO * H02 = H20 + N02
C265. HNO + H2 = HN + H20
C252. HNO + N = H + N20
C266. HNO + N = HN + NO
A282. HNO + N = HO + N2
C268. HNO ( NO = HN + N02
A283. HNO + NO = HO + N20
A264. HNO * NO = H02 * N2
A285. HNO « N02 = H02 + N20
C271. HNO * N2 = HN + N20
-------
B-36
REACTIONS OF HNO
C247. HNO +0 = H » N02
C274. HNO * 0 = HN + 02
A286. HNO -i-O = HO + NO
A287. HNO +0 = H02 + N
A288. HNO +02 = HO + N02
A289. HNO * 02 = H02 » NO
-------
B-37
REACT!
C254.
B 20.
B 21.
B 22.
B 23.
0 15.
B 68.
B 69.
B 70.
B 71.
D 24.
B112.
B113.
B114.
BUS.
D 32.
D118.
B146.
B147.
B148.
D123.
D149.
B177.
B178.
D155.
OHS
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
OF HO
+ M
+ CH
+ CH
+ CH + M
* CH
* CHN
« CHN
+ CHN
+ CHN
+ CHN
* CHO
* CHO
+ CHO
+ CHO
+ CHO
+ CH2
+ CH2
+ CH2
* CH2
+ CH2 * M
+ CH20
+ CH20
+ CH20
+ CH20
* CH3
= H +
= CHO1 *
= CH2 +
= CH20
= CO +
= CH *
= CHO *
= CH2 +
= CH20 *
= CN +
= CH +
= CH2 *
= CH20 +
= CO +
= C02 +
= CH +
= CHO +
= CH20 +
= CH3 *
= CH30
= CHO *
= CH2 *
» CH3 +
= CH30 «
* CH2 +
0
H
0
H2
HNO
HN
NO
N
H20
HQ2
02
0
H20
H2
H20
H2
H
0
H20
H02
02
0
H20
* M
M
-------
B-38
REACTIONS OF HO
0180.
B195.
B196.
0184.
0197.
B210.
0201.
0211.
0 40.
0 86.
0126.
B213.
D 55.
0133.
B223.
0136.
0224.
B236.
B237.
0233.
B260.
B261.
0262.
B279.
B280.
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
+ CH3
+ CH3
+ CH3
* CH30
+ CH30
+ CH30
+ CH4
+ CH4
+ CN
+ CN
+ CN
+ CN
+ CO
+ CO
+ CO
+ C02
+ C02
+ H
+ H + M
+ HN
* HN
+ HN
+ HNO
+ HNO
+ HNO
= CH20
= CH30
= CH4
= CH20
= CH3
= CH4
= CH3
= CH30
= CH
= CHN
* CHO
= CO
= CH
= CHO
= C02
= CHO
= CO
= H2
= H20
= H
= H2
= H20
= HN
= H2
= H20
» H2
+ H
+ 0
+ H20
+ H02
+ 02
+ H20
+ H2
+ NO
+ 0
+ N
+ HN
+ 02
+ 0
* H
+ 02
* H02
+ 0
+ HNO
* NO
+ N
* H02
+ N02
* NO
M
-------
B-39
REACTIONS OF HO
C238. HO * HO = H * H02
A290. HO + HO = H2 * 02
A291. HO + HO = H20 + 0
A292. HO + H02 = H20 + 02
C241. HO » H2 * H + H20
A293. HO + H20 = H02 + H2
C245. HO 4- N = H + NO
C273. HO + N = HN * 0
C277. HO « N + M = HNO * M
C248. HO -i- NO = H + N02
C275. HO « NO = HN + 02
C286. HO + NO = HNO + 0
A294. HO * NO = H02 + N
C288. HO + N02 = HNO + 02
A295. HO < N02 = H02 + NO
C253. HO * N2 * H + N20
C267. HO * N2 = HN * NO
C282. HO * N2 = HNO + N
C269. HO * N20 = HN + N02
C283. HO + N20 = HNO + NO
A296. HO + N20 = H02 + N2
C255. HO + 0 = H + 02
A297. HO * 0 * M = H02 * M
A298. HO + 02 = H02 + 0
-------
B-40
REACTIONS OF H02
C256. H02
C297. H02
B 24. H02 + CH
B 25. H02 * CH
B 26. H02
B 27. H02
B 28. H02
B 72. H02
B 73. H02
B 74.7 H02
B116. H02
B117. H02
D122. H02
BI49. H02
B150. H02
8151. H02
B179. H02
0183. H02
B197. H02
B198. H02
0212. H02
0 44. H02
0 89. H02
0128. H02
+
+
+
+
*
+
+
+
+
+
+
*
+
+
+
+
+
+
+
f
+
+
+
+ M
» M
CH
CH
CH
CH
CH
CHN
CHN
CHN
CHO
CHO
CH2
CH2
CH2
CH2
CH20
CH3
CH3
CH3
CH4
CN
CN
CN
CN
= H
= HO
= CHO
= CH2
= CH20
= CO
= C02
- CHO
s CH2
= CH20
= CH20
« C02
* CHO
= CH20
= CH3
= CH30
= CH30
= CH20
= CH30
= CH4
» CH30
= CH
= CHN
= CHO
= CO
+ 02 + M
+ 0 + M
+ HO
+ 02
+ 0
+ H20
+ H2
+ HNO
+ N02
+ NO
+ 02
* H20
« H20
+ HO
+ 02
+ 0
+ 02
+ H20
f HO
+ 02
+ H20
+ N02
« 02
+ NO
+ HNO
-------
B-41
REACTIONS OF H02
B215. H02 + CN = C02 + HN
D135. H02 + CO = CHO + 02
B224. H02 + CO = C02 + HO
B238. H02 + H = HO + HO
B239. H02 * H = H2 + 02
B240. H02 + H = H20 + 0
B262. H02 + HN = HNO + HO
B263. H02 + HN = H2 + N02
B264. H02 * HN = H20 * NO
B281. H02 * HNO = H20 * N02
B292. H02 + HO * H20 + 02
C293. H02 * H2 = HO + H20
C2*9. H02 * N = H * N02
C276. H02 + N * HN + 02
C287. H02 + N = HNO + 0
C294. H02 + N = HO * NO
C289. H02 * NO = HNO + 02
C295. H02 * NO = HO + N02
C270. H02 + N2 = HN + N02
C284. H02 + N2 = HNO * NO
C296. H02 + N2 = HO * N20
C2B5. H02 + N20 = HNO * N02
C298. H02 +0 = HO + 02
-------
B-42
REACTIONS OF H2
C231.
B 29.
B 30.
B 75.
B 76.
0 31.
B118.
B119.
B120.
B121.
B152.
B153.
0154.
B180.
B181.
B182.
B199.
0200.
B211.
D 14.
D 64.
0158.
D 23.
0106.
0164.
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
4- M
4- CH
4- CH 4- M
+ CHN
4- CHN
4- CHO
4- CHO
* CHO
* CHO
4- CHO 4- M
4- CH2
4- CH2 4- M
4- CH20
4- CH20
4- CH20
4- CH20
4- CH3
4- CH30
4- CH30
4- CN
4- CN
4- CN
4- CO
4- CO
4- CO
= H
= CH2
= CH3
= CH2
= CH3
= CH
= CH2
= CH20
= CH3
= CH30
= CH3
= CH4
= CH2
= CH3
= CH30
= CH4
= CH4
= CH3
= CH4
= CH
= CHN
= CH2
= CH
= CHO
= CH2
4- H
4- H
4- HN
4- N
4- H2D
4- HO
4- H
+ 0
4- H
4- H20
4- HO
4- H
4- 0
4- H
4- H20
+ HO
4- HN
4- H
4- N
4- HO
4- H
4- 0
M
M
M
M
-------
B-43
REACT!
D168.
D 28.
0115.
D167.
0188.
D225.
0265.
0241.
0293.
C232.
C234.
C260.
A299.
C263.
C279.
A300.
C257.
C258.
A301.
C236.
A302.
C239.
C290.
A303.
DNS
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
OF H2
+ CO
+ C02
+ C02
+ C02
+ C02
+ C02
+ HNO
« HO
+ H02
+ N
+ NO
+ NO
+ NO
+ N02
+ N02
« N02
+ N2
+ N20
-I- N20
+ 0
+ 0
* 02
* 02
« 02
M
+ M
CH20
CH +
CHO *
CH2 +
CH20 +
CO +
HN +
H +
HO +
H +
H +
HN *
H20 +
HN +
HNO +
H20 *
HN +
HN *
H20 +
H +
H20
H +
H02
HO
02
0
H20
H20
H20
H20
HN
HNO
HO
N
H02
HO
NO
HN
HNO
N2
HO
H02
M
+ M
HO
H20
HO
0
-------
B-44
REACTI
C237.
C302.
B 31.
B 32.
B 33.
B 34.
B 35.
B 77.
B 78.
B 79.
B 80.
B122.
B123.
B124.
B125.
B154.
B155.
B156.
B157.
B183.
B184.
B185.
B200.
B201.
B212.
ONS OF H20
H20
H20
H20
H20
H20
H20
H20
H20
H20
H20
H20
H20
H20
H20
H20
H20
H20
H20
H20
H20
H20
H20
H20
H20
H20
4-
4-
4-
4-
+
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
+
4- M
4- M
CH
CH
CH
CH
CH 4- M
CHN
CHN
CHN
CHN
CHO
CHO
CHO
CHO
CH2
CH2
CH2
CH2
CH20
CH20
CH20
CH3
CH3
CH30
= H 4-
= H2 +
= CHO *
= CH2 +
= CH20 +
= CH3 4-
= CH30
= CH2 +
= CH20 -t-
= CH3 4-
= CH30 4-
= CH2 *
= CH20 »
= CH3 *
= CH30 4-
= CH20 4-
= CH3 +
= CH30 +
= CH4 4-
= CH3 4-
= CH30 *
= CH4 4-
= CH30 *
= CH4 4-
= CH4 4-
HO 4- M
0 4- M
H2
HO
H
0
+ M
HNO
HN
NO
N
H02
HO
02
0
H2
HO
H
0
H02
HO
02
H2
HO
H02
-------
B-45
REACTIONS OF H20
0 19. H20 + C
D 71. H20 + C
0109. H20 + C
0160. H20 + C
0186. H20 + C
0 27. H20 * C
0114. H20 + C
0166. H20 < C
0187. H20 + C
B225. H20 + C
0117. H20 + C
0189. H20 + C
B241. H20 + H
B265. H2Q + H
B293. H20 + H
C235. H20 + N
C261. H20 + N
C299. H20 + N
C264. H20 ! N
C280. H20 + N
C300. H20 -i- NO
C281. H20 < N0
C259. H20 + N2
C301. H20 + N2
* CN
+ CN
+ CN
» CN
+ CN
* CO
+ CO
* CO
+ CO
+ CO
+ C02
+ C02
+ H
+ HN
+ HO
+ N
* N
+ N
+ NO
* NO
* NO
+ N02
+ N2
* N2
+ N20
= CH +
= CHN +
= CHO +
= CH2 *
- CH20 *
= CH +
= CHO *
= CH2 +
= CH20 +
= C02 +
= CHO +
= CH20 +
- HO +
» HNO *
= H02 +
= H +
= HN *
= H2 +
* HN *
= HNO «
= H2 +
= HNO +
= HN +
= H2 +
= HNO +
HNO
HO
HN
NO
N
H02
HO
02
0
H2
H02
02
H2
.H2
H2
HNO
HO
NO
H02
HO
N02
H02
HNO
N20
HNO
-------
B-46
REACTIONS OF H20
C240. H20 +0 * H + H02
C291. H20 +0 = HO * HO
C303. H20 + 0 = H2 + 02
C292. H20 « 02 = HO + H02
-------
B-47
REACTI
B 36.
B 37.
D 47.
B 81.
0 39.
0 85.
B126.
B127.
D 13.
0 63.
B158.
0 18.
D 70.
0108.
0159.
B186.
0 76.
0142.
0 80.
0145.
0174.
0202.
0192.
0219.
0221.
ONS
N
N
N
N
N
N
N
N
N
N
N
N
N
N
N
N
N
N
N
N
N
N
N
N
N
OF N
+ CH + M
* CH
+ CHN
+ CHN
+ CHO
+ CHO
+ CHO
+ CHO
+ CH2
+ CH2
+ CH2
+ CH20
+ CH20
-» CH20
+ CH20
+ CH20
+ CH3
+ CH3
+ CH30
» CH30
+ CH30
+ CH30
+ CH4
+ CO
+ C02
= CHN
= CN
= CH
= CN
= CH
= CHN
= CN
= CO
= CH
= CHN
= CN
= CH
= CHN
= CHO
= CH2
= CN
= CHN
= CH2
= CHN
= CH2
= CH20
= CH3
= CH3
= CN
= CN
+ H
+ N2
+ HN
+ NO
+ 0
+ HO
+ HN
» HN
+ H
+ H2
+ HNO
« HO
+ HN
» NO
+ H20
+ H2
+ HN
« H20
+ HNO
+ HN
« NO
* HN
» 0
+ 02
M
-------
B-48
REACTIONS OF N
D226. N + C02 = CO * NO
B242. N H + M = HN + M
0250, N + HN = H + N2
D252. N + HNO = H + N20
D266. N + HNO = HN * NO
B282. N + HNO = HO * N2
D245. N * HO = H + NO
D273. N * HO = HN + 0
D277. N + HO + M = HNO + M
0249. N + H02 * H + N02
0276. N + H02 = HN +02
D287. N + H02 = HNO + 0
D294. N + H02 = HO * NO
D232. N + H2 = H * HN
0235. N + H20 = H + HNO
D261. N + H20 = HN + HO
D299. N + H20 = H2 * NO
A304. N +N +M =N2 +M
A305. N + NO = N2 + 0
A306. N + NO + M = N20 + M
A307. N + N02 = NO * NO
A308. N + N02 = N2 +02
A309. N + N02 = N20 + 0
A310. N + N20 = NO + N2
A311. N +0 +M =NO +M
-------
B-49
REACTIONS OF N
A312- N * 02 = NO + 0
A313. N + 02 + M = N02 + M
-------
B-50
REACT!
C311.
B 38.
B 39.
B 40.
B 41.
0 49.
B 82.
B 83.
D 43.
D 88.
B128.
B129.
B130.
D 17.
D 69.
D107.
B159.
B160.
D 74.
Dill.
D161.
D 79.
D144.
D173.
B202.
ONS
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
OF NO
+ M
+ CH
+ CH
+ CH
+ CH
+ CHN
+ CHN
+ CHN
+ CHO
* CHO
* CHO
+ CHO
+ CHO
+ CH2
+ CH2
« CH2
+ CH2
+ CH2
+ CH20
* CH20
+ CH20
+ CH3
* CH3
+ CH3
+ CH3
= N +
= CHN *
= CHO +
= CN +
= CO +
= CH +
= CHO +
= CN +
= CH +
= CHN *
= CN +
= CO +
= C02 +
= CH *
= CHN +
= CHO +
= CH20 +
= CN +
= CHN +
= CHO +
= CH2 +
= CHN +
= CH2 +
= CH20 +
= CH30 +
0
0
N
HO
HN
N20
N2
HNO
N02
02
HQ2
HNO
HN
HNO
HO
HN
N
H20
H02
HNO
N02
H20
HNO
HN
N
M
-------
B-51
REACTIONS OF NO
*
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
NO
+ CH30
* CH30
+ CH4
+ CH4
+ CN
+ CO
+ CO
+ C02
+ H
* H + M
+ H
+ HN
+ HN
+ HN
+ HNO
+ HNO
* HNO
+ HO
+ HO
+ HO
+ HO
+ H02
+ H02
* H2
* H2
= CH20
= CH3
= CH3
= CH30
= CO
= CN
= C02
= CO
= HN
= HNO
= HO
= H
= HNO
= HO
= HN
= HO
= H02
= H
= HN
= HNO
= H02
= HNO
= HO
= H
= HN
+ HNO
* N02
+ HNO
+ HN
+ N2
+ 02
* N
* N02
+ 0
* N
* N20
+ N
+ N2
+ N02
+ N20
+ N2
* N02
+ 02
* 0
* N
* 02
+ N02
+ HNO
* HO
M
-------
B-52
REACTIONS OF NO
B299. NO + H2 = H20 + N
0264. NO + H20 = HN + H02
D280. NO + H20 = HNO * HO
D300. NO * H20 = H2 * N02
B305. NO + N s N2 + 0
B306. NO + N + M = N20 + M
C307. NO- + NO = N + N02
A314. NO * NO = N2 + 02
A315. NO * NO = N20 -t- 0
A316. NO » N02 = N20 « 02
C310. NO + N2 = N 4- N20
A317. NO + N20 = N02 + N2
C312. NO + 0 = N + 02
A318. NO * 0 » M = N02 * M
A319. NO * 02 = N02 + 0
-------
B-53
REACT
C313.
C318.
B 42.
B 43.
B 44.
B 45.
B 46.
B 84.
B131.
D 73.
DUO.
B161.
s,
0175.
B203.
0209.
B217.
B218.
B227.
B246.
B247.
B248.
B249.
B268.
B269.
B270.
IONS
N02
N02
N02
N02
N02
N02
N02
N02
N02
N02
N02
N02
N02
N02
N02
N02
N02
N02
N02
N02
N02
N02
N02
N02
N02
OF N02
+ M
+ M
+ CH
+ CH
+ CH
+ CH
+ CH
* CHN
+ CHO
+ CH2
+ CH2
+ CH2
+ CH3
+ CH3
+ CH4
* CN
+ CN
+ CO
+ H
+ H
* H
* H
+ HN
+ HN
t- HN
= N
= NO
= CHN
= CHO
= CN
= CO
= C02
= CHO
= C02
= CHN
= CHO
= CH20
= CH20
= CH30
= CH30
= CO
= C02
= C02
= HN
= HNO
= HO
= H02
= HMO
= HO
= H02
* 02 * M
0 + M
+ 02
+ NO
* H02
+ HNO
+ HN
+ N20
+ HNO
* H02
+ HNO
* NO
+ HNO
+ NO
+ HNO
* N20
+ N2
NO
+ 02
+ 0
+ NO
+ N
« NO
* N20
+ N2
-------
B-5A
REACTIONS OF N02
B285. N02 + HNO = H02 + N20
0288. N02 -f HO = HNO + 02
B295. N02 + HO = H02 + NO
D263. N02 + H2 = HN + H02
D279. N02 + H2 = HNO + HO
B300. N02 4- H2 = H20 + NO
0281. N02 + H20 = HNO + H02
B307. N02 + N = NO + NO
B308. N02 « N = N2 + 02
B309. N02 + N » N20 + 0
B316. N02 + NO = N20 02
C317. N02 + N2 = NO * N20
C319. N02 -f 0 = NO + 02
-------
B-55
REACTIONS OF ,M2
C304. N2 * M
B 47. N2 * CH
B 48. N2 + CH
D 50. N2 + CHO
0 82. N2 -i- CHO
8132. N2 « CHO
D 65. N2 * CH2
D 67. N2 + CH20
D162. N2 + CH20
0204. N2 « CH30
D216. N2 + CO
0218. N2 * CQ2
D228. N2 + C02
B250. N2 + H
0271. N2 « HNO
0253. N2 + HO
0267. N2 + HO
0282. N2 + HO
0270. N2 + H02
0284. N2 + H02
0296. N2 * H02
0257. N2 + H2
0259. N2 * H20
0301. N2 + H20
0310. N2 + NO
= N + N + M
= CHN + N
= CN * HN
= CH * N20
= CHN * NO
= CN -I- HNO
= CHN * HN
= CHN + HNO
» CH2 * N20
a CH3 * N20
* CN + NO
= CN + N02
= CO + N20
= HN + N
= HN + N20
= H + N20
= HN * NO
= HNO + N
= HN + N02
= HNO * NO
= HO + N20
= HN * HN
x HN * HNO
= H2 + N20
= M + N20
-------
B-56
REACTIONS OF N2
0317.
C305.
A320.
C308.
C314.
A321.
N2
N2
N2
N2
N2
N2
+ N02
* 0
+ 0 + M
+ 02
* 02
+ 02
= NO
= N
= N20
= N
= NO
= N20
+ N20
+ NO
+ N02
+ NO
« 0
M
-------
B-57
REACTIONS OF N20
C306. N20
C320. N20
B 49. N20
B 50. N20
B 51. N20
0 84. N20
0 66. N20
B162. N20
B204. N20
0217. N20
B228. N20
B251. N20 + H
B252. N20 + H
B253. N20 + H
8271. N20 * H
0269. N20 + H
0283. N20 + H
B296. N20 -i- H
0285. N20 + H
0258. N20 + H
8301. N20 + H2
0278. N20 + H
B310. N20 + N
B317. N20 + NO
C309. N20 + 0
+ M
+ M
+ CH
+ CH
+ CH
+ CHO
+ CH2
+ CH2
+ CH3
+ CO
+ CO
+ H
+ H
+ H
+ HN
+ HO
+ HO
+ HO
+ H02
* H2
+ H2
* H20
+ N
+ NO
+ 0
= N
= N2
= CHN
= CHO
= CN
= CHN
= CHN
= CH20
= CH30
= CN
= C02
= HN
= HNO
= HO
* HNO
* HN
= HNO
= H02
= HNO
= HN
* H20
= HNO
* NO
= N02
- N
+ NO 4- M
+ 0 * M
+ NO
+ N2
+ HNO
» N02
f HNO
+ N2
» N2
+ N02
+ N2
+ NO
+ N
* N2
+ N2
+ N02
f NO
* N2
+ N02
+ HNO
+ N2
+ HNO
* N2
+ N2
+ N02
-------
B-58
REACTIONS OF ^20
C315. N2Q +0 = NO + NO
C321. N20 -i-O = N2 + 02
C316. N20 4-02 = NO * N02
-------
B-59
REACT
B 52.
B 53.
D 38.
B 85.
B 86.
B 87.
0 54.
B133.
B134.
D 21.
0104.
B163.
B164.
D 26.
0113.
0165.
B187-
B188.
0 34.
0120.
0147.
0171.
B205.
0125.
0151.
IONS
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
OF 0
4- CH 4 M
4- CH
4- CHN
4 CHN
+ CHN
4 CHN
* CHO
4 CHO
4- CHO
4- CH2
4- CH2
4- CH2 4- M
4- CH2
4 CH20
4- CH20
4- CH20
4- CH20
4- CH20
4- CH3
4- CH3
4 CH3
4- CH3
4- CH3 4- M
4- CH30
4- CH30
= CHO
= CO
= CH
= CHO
= CN
* CO
* CH
= CO
= C02
= CH
= CHO
= CH20
= CO
= CH
= CHO
= CH2
= CO
= C02
= CH
= CHO
= CH2
= CH20
= CH30
* CHO
= CH2
4- H
4- NO
4- N
4- HO
4- HN
4- 02
4- HO
4- H
4 HO
4- H
4- H2
4- H02
4- HO
4 02
4 H20
4 H2
4 H20
4 H2
4 HO
4 H
4 H20
4 H02
M
M
M
-------
B-60
REACTI
0178.
0206.
0157.
0182.
0196.
0207.
B219.
B229.
0230.
B254.
0243.
B272.
B273.
0247.
0274.
B286.
B287.
0255.
B297.
0298.
0236.
B302.
0240.
0291.
0303.
ONS
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
OF 0
* CH30
* CH30
+ CH4
+ CH4
+ CH4
+ CH4
* CN
* CO + M
+ C02
* H » M
* HN
+ HN + M
+ HN
+ HNO
+ HNO
+ HNO
* HNO
+ HO
+ HO + M
+ H02
» H2
+ H2 * M
+ H20
+ H20
» H20
= CH20
= CH3
= CH2
= CH20
= CH3
= CH30
= CO
= C02
= CO
= HO
= H
= HNO
= HO
= H
= HN
= HO
= H02
= H
= H02
= HO
= H
= H20
= H
= HO
= H2
+ HO
+ 02
* H20
+ H2
+ HO
+ H
* N
+ 02
+ NO
+ N
4- N02
+ 02
+ NO
+ N
+ 02
+ 02
+ HO
+ H02
+ HO
+ 02
M
* M
M
M
+ M
-------
B-61
REACTIONS OF 0
B311. 0 + N + M = NO + M
D312. 0 * NO = N + 02
B318. 0 * NO + M = N02 + M
D319. 0 * N02 = NO +02
D305. 0 + M2 = N + NO
B320. 0 * N2 + M = N20 + M
0309. 0 + N20 = N + N02
D315. 0 » N20 = NO + NO
0321. 0 > N20 = N2 +02
A322. 0 +0 +M =02 +M
-------
B-62
REACTIONS OF 02
C322.
B 54.
B 55.
B 56.
0 42.
B 88*
B 89.
B 90.
B 91.
B135.
B136.
0 25.
0112.
B165.
B166..
B167.
0116.
B169.
0124.
0150.
0177.
B206.
0179.
0185.
0198.
02
02
02
02
02
02
02
02
02
02
02
02
02
02
02
02
02
02
02
02
02
02
02
02
02
+ M
4- CH
4- CH
+ CH
+ CHN
+ CHN
+ CHN
« CHN
+ CHN
* CHO
+ CHO
+ CH2
+ CH2
* CH2
+ CH2
+ CH2
+ CH20
» CH20
+ CH3
+ CH3
+ CH3
+ CH3
+ CH30
+ CH4
* CH4
= 0
= CHO
= CO
= C02
= CH
= CHO
= CN
= CO
= C02
= CO
= C02
= CH
= CHO
= CH20
= CO
= C02
= CHO
= C02
* CHO
= CH2
- CH20
= CH30
= CH20
= CH20
= CH3
+ 0
+ 0
+ HO
* H
* N02
+ NO
+ H02
* HNO
+ HN
+ H02
+ HO
* H02
+ HO
+ 0
+ H20
* H2
+ H02
* H20
* H20
* H02
+ HO
+ 0
+ H02
+ H20
* H02
M
-------
B-63
REACTIONS OF 02
D210. 02 * CH4 = CH30 + HO
B220. 02 * CN = CO + NO
B221. 02 + CN = C02 + N
B230. 02 + CO = C02 + 0
B255. 02 * H = HO * 0
B256. 02 « H + M = H02 + M
0246. 02 + HN x H » N02
B274. 02 + HN = HNO + 0
B275. 02 * HN « HO + NO
B276. 02 + HN = H02 + N
B288. 02 ( HNO = HO + N02
B289. 02 + HNO = H02 + NO
B298. 02 + HO = H02 + 0
D239. 02 + H2 = H + H02
D290. 02 + H2 = HO * HO
B303. 02 * H2 = H20 + 0
D292. 02 + H20 = HO + H02
B312. 02 * N = NO + 0
B313. 02 * N + M = N02 * M
B319. 02 + NO = N02 * 0
0308. 02 * N2 = N + N02
0314. 02 * N2 = NO + NO
B321. 02 * N2 = N20 * 0
D316. 02 * N20 » NO * N02
-------
C-l
APPENDIX C
MASTER LIST OF REACTIONS FOR 39 SPECIES
As an indication of the increasing complexity of the reaction
system as additional species are added, 39 species of potential importance
for methane-air were used to compile this reaction listing. These in-
clude species containing up to two carbon atoms and as such provide an
indication of reactions under more fuel rich conditions or a preliminary
indication of reactions for higher hydrocarbons. Nitrogen bonded species
with NH bonds up to NHg and CN bonds including CNO provide an indication
for fuel nitrogen reactions. However, while the 25 species resulted in
322 reactions, the 39 species result in 1078 reactions.
The 39 species covered in this Appendix are:
C C2 H£
CH C2H H2
CHN C2H2 H2
CHO C2H3 H3
CH2 C2H4 N
CH20 C2H5 NO
CH3 C2H6 N0
CH0 H N0
2
CH, NH N
4
CN HNO N20
CNO HO 0
CO H02 02
C0n H^ 0_
-------
C-2
Z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
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.
47.
48.
49.
50.
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
f
f
+
+
+
»
+
+
+
+
+
+
»
f-
+
+
»
+
+
+
f
+
+
+
f
+
+
f
+
+
+
+
+
+
+
+
+
f
+
+
+
+
+
+
f
+
+
+
+
f
C » M
CH
CH + M
CHN
CHN
CHN
CHO
CHO
CHO
CH2
CH2
CH2
CH2 + M
CH20
CH20
CH20
CH20
CH20
CH3
CH3
CH3
CH3 + M
CH30
CH30
CH30
CH30
CH30
CH30
CH4
CH4
CH4
CH4
CH4 + M
CN
CNO
CNO
CO
C02
C02
C2H
C2H2
C2H2
C2H3
C2H3
C2H3
C2H4
C2H4
C2H4
C2H4
C2H5
s
=
=
=
s
=
=
=
=
s
=
=
=
=
=
=
=
=
s
s
=
8
S
S
S
=
=
a
B
=
s
=
=
=
s
3
S
S
=
S
S
s
=
=
=
=
=
s
s
=
C2
C2
C2H
CH
C2
C2H
CH
C2
C2H
CH
C2
C2H
C2H2
CH
CH2
C2
C2H
C2H2
CH
C2H
C2H2
C2H3
CH
CHO
CH3
C2H
C2H2
C2H3
CH
CH2
C2H2
C2H3
C2H4
C2
CN
C2
C2
CO
C2
CH
CH
CH2
CH
CH2
CH3
CH
CH2
CH3
CH4
CH
+
f
*
f
»
*
f
f
«
*
f
f
+
+
+
f
f
f
i-
«
+
*
f
*
+
f
4-
«
+
+
+
f
f
+
+
f
f
f
+
+
f
f
+
f
+
H
CN
HN
N
CO
HO
0
CH
H2
H
CHO
CO
H20
HO
0
CH2
H2
H
CH20
CH2
CO
H20
HO
0
CH3
CH2
H2
H
N
CO
NO
0
CO
02
C2
C2H
C2
C2H2
C2H
C2
C2H3
C2H2
C2H
C2
C2H4
M
M
M
M
-------
C-3
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
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.
85.
86.
87.
88.
89.
90.
91.
92.
93.
94.
95.
96.
97.
98.
99.
100.
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
»
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
C2H5
C2H5
C2H5
C2H6
C2H6
C2H6
C2H6
H
HN
HN
HN
HNO
HNO
HNO
HNO
HNO
HNO
HO
HO
HO
H02
H02
H02
H02
H2
H2
H2N
H2N
H2N
H2N
H20
H20
H20
H20
H20
H202
H202
H202
H202
H202
H202
H3N
H3N
H3N
H3N
N
NO
NO
NO
N02
M
-» M
M
M
M
M
M
CH2
CH3
CH4
CH
CH2
CH3
CH4
CH
CH
CHN
CN
CH
CHN
CHO
CN
CNO
CO
CH
CHO
CO
CH
CHO
CO
C02
CH
CH2
CH
CHN
CH2
CN
CH
CHO
CH2
CH20
CO
CH
CHO
CH2
CH20
CO
C02
CH
CHN
CH2
CH3
CN
CN
CNO
CO
CN
+ C2H3
+ C2H2
« C2H
+ C2H5
+ C2H4
+ C2H3
+ C2H2
* N
+ H
+ NO
+ 0
+ N
« HO
+ H
+ HN
* 0
+ H
+ 02
+ 0
+ HO
+ H
* H
* HN
+ H
+ N
+ H2
+ HO
+ H
+ 0
+ H2
* H02
+ HO
+ 02
+ 0
* H20
+ H2
+ H2N
+ H2
+ HN
* N
* 0
+ N
+ 02
+ M
+ M
* M
+ M
+ M
+ M
+ M
-------
C-4
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
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.
141.
142.
143.
144.
145.
146.
147.
148.
149.
150.
C
C
c
c
c
c
c
c
c
c
c
c
c
c
c
c
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
+ N02
+ N02
+ N02
+ N03
+ N03
+ N03
+ N03
+ N2
+ N20
* N20
+ N20
+ 0 + M
+ 02
+ 02 + M
+ 03
+ 03
+ CH
+ CH
+ CH + M
+ CHN
+ CHN
+ CHN
+ CHN
+ CHO
+ CHO
+ CHO
+ CHO
+ CH2
« CH2
+ CH2 + M
+ CH20
+ CH20
+ CH20
« CH20
+ CH20
+ CH3
+ CH3
+ CH3
+ CH3 + M
+ CH30
+ CH30
+ CH30
+ CH30
+ CH30
+ CH30
+ CH4
+ CH4
+ CH4
+ CH4 + M
+ CN
=
=
=
=
=
=
=
=
s
s
=
=
s
=
=
s
=
s
=
s
=
=
=
s
=
s
s
s
=
=
=
=
s
s
s
=
=
=
=
s
s
s
=
s
s
=
=
=
s
s
CNO
CO
C02
CN
CNO
CO
C02
CN
CN
CNO
CO
CO
CO
C02
CO
C02
C2
C2H
C2H2
CH2
C2
C2H
C2H2
CH2
C2
C2H
C2H2
C2H
C2H2
C2H3
CHO
CH3
C2H
C2H2
C2H3
CH2
C2H2
C2H3
C2H4
CHO
CH2
CH4
C2H2
C2H3
C2H4
CH2
C2H3
C2H4
C2H5
C2
+
+
»
+
+
+
+
f
+
+
+
«
+
+
I-
f
»-
+
f
i-
»
f
f
»
+
+
+
+
+
+
+
+
«
f
+
+
+
»
»
f
+
+
+
+
0
NO
N
03
02
N02
NO
N
NO
N
N2
0
02
0
H2
H
CN
H2N
HN
N
CO
H20
HO
0
H2
H
CH2
CO
H20
HO
0
CH2
H2
H
CH3
CH20
CO
H20
HO
0
CH3
H2
H
HN
M
M
M
M
M
M
-------
C-5
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
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.
180.
181.
182.
183.
184.
185.
186.
187.
188.
189.
190.
191.
192.
193.
194.
195.
196.
197.
198.
199.
200.
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
+ CN
+ CNO
+ CNO
+ CNO
+ CNO
+ CO
+ CO
+ C02
+ C02
+ C02
+ C2H
+ C2H2
+ C2H2
+ C2H3
+ C2H3
+ C2H3
+ C2H4
t- C2H4
+ C2H4
* C2H5
+ C2H5
+ C2H5
+ C2H6
+ C2H6
+ C2H6
+ H
+ HN
+ HN
* HN
+ HNO
+ HNO
+ HNO
* HNO
+ HNO
+ HNO
+ HNO
+ HO
+ HO
+ HO
+ HO
+ H02
» H02
+ H02
+ H02
* H02
+ H2
* H2
+ H2N
+ H2N
+ H2N
M
M
M
C2H
CHN
CHO
C2
C2H
C2
C2H
CHO
C2
C2H
CH2
CH2
CH3
CH2
CH3
CH4
CH2
CHS
CH4
CH2
CH3
CH4
CH2
CH3
CH4
CH2
CHN
CH2
CN
CHN
CHO
CH2
CH20
CN
CNO
CO
CHO
CH2
CH20
CO
CHO
CH2
CH20
CO
C02
CH2
CH3
CHN
CH2
CH3
+ N
* CO
+ CN
* HNO
+ NO
* HO
+ 0
+ CO
+ H02
« 02
+ C2
+ C2H
+ C2
* C2H2
* C2H
* C2
+ C2H3
+ C2H2
+ C2H
* C2H4
+ C2H3
+ C2H2
+ C2H5
* C2H4
+ C2H3
+ H
* N
+ H2
+ HO
+ HN
+ NO
* N
+ H20
* H2
+ H2N
+ H
+ 0
* H2
+ HO
+ 02
+ 0
+ H20
+ H2
* H
« H2
+ HN
+ N
M
M
M
-------
C-6
Z 201.
Z 202.
Z 203.
Z 204.
Z 205.
Z 206.
Z 207.
Z 208.
Z 209.
Z 210.
Z 211.
Z 212.
Z 213.
Z 214.
Z 215.
Z 216.
Z 217.
Z 218.
Z 219.
Z 220.
Z 221.
Z 222.
Z 223.
Z 224.
Z 225.
Z 226.
Z 227.
Z 228.
Z 229.
Z 230.
Z 231.
Z 232.
Z 233.
Z 234.
Z 235.
Z 236.
Z 237.
Z 238.
Z 239.
Z 240.
Z 241.
Z 242.
Z 243.
Z 244.
Z 245.
Z 246.
Z 247.
Z 248.
Z 249.
Z 250.
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CH
CHN
CHN
CHN
CHN
CHN
CHN
+ H20
+ H20
+ H20
+ H20
+ H20
+ H202
+ H202
+ H202
+ H202
+ H202
+ H3N
+ H3N
+ H3N
+ N
* N
+ NO
+ NO
* NO
+ NO
+ NO
+ N02
+ N02
+ N02
+ N02
+ N02
+ N02
+ N03
+ N03
+ N03
+ N03
+ N2
+ N2
+ N20
+ N20
+ N20
+ N20
+ 0
+ 0
+ 02
+ 02
+ 02
* 03
+ 03
+ 03
+ CHN
+ CHO
+ CHO
+ CHO
+ CHO
» M
M
M
M
CHO
CH2
CH20
CH3
CH30
CHO
CH2
CH20
CH3
CH30
CH2
CH3
CH4
CHN
CN
CHN
CHO
CN
CNO
CO
CHN
CHO
CN
CNO
CO
C02
CHN
CHO
CNO
C02
CHN
CN
CHN
CHO
CN
CNO
CHO
CO
CHO
CO
C02
CHO
CO
C02
CN
C2H2
CH2
CH20
C2H
C2H2
+ H2
+ HO
+ H
+ 0
* H20
+ H02
+ HO
+ 02
+ 0
+ H2N
* HN
+ N
+ H
+ 0
+ N
+ HO
+ H
+ HN
+ 02
* NO
+ H02
+ HO
+ HNO
+ HN
+ 03
+ N02
+ H02
+ HNO
« N
+ HN
+ NO
+ N2
* HNO
* HN
+ H
+ 0
+ HO
* H
+ 02
+ H02
* HO
+ H
+ N2
+ CNO
- CN
+ HNO
+ NO
M
M
M
M
-------
C-7
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
251.
252.
253.
254.
255.
256.
257.
258.
259.
260.
261.
262.
263.
264.
265.
266.
267.
268.
269.
270.
271.
272.
273.
274.
275.
276.
277.
278.
279.
280.-
281.
282.
283.
284.
285.
286.
287.
288.
289.
290.
291.
292.
293.
294.
295.
296.
297.
298.
299.
300.
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
4-
4-
4-
+
4-
+
+
4-
4-
4-
+
4-
4-
4-
4-
4-
4-
4-
4-
f
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
f
4-
4-
4-
4-
4-
4-
4-
4-
+
-f
f
+
+
+
»
«
f
+
CH2
CH2
CH2
CH2
CH2
CH20
CH20
CH20
CH20
CH3
CH3
CH3
CH3
CH3
CH30
CH30
CH30
CH4
CH4
CH4
CH4
CN
CNO
CO
CO
CO
C02
C02
C2
C2H
C2H2
C2H3
C2H4
C2H5
H
H
HN
HN
HNO
HNO
HNO
HO
HO
HO
HO
HO
HO
H02
H02
H02
CH3
C2
C2H
C2H2
C2H3
CH3
CH30
C2H2
C2H3
CH4
C2H
C2H2
C2H3
C2H4
CH4
C2H3
C2H4
C2H2
C2H3
C2H4
C2H5
C2H
C2H
CHO
C2
C2H
CHO
C2H
CN
CN
CN
CN
CN
CN
CH2
CN
CH2
CN
CH2
CH20
CNO
CHO
CH2
CH20
CN
CNO
CO
CHO
CH2
CH20
f
+
+
+
+
+
f
+
+
+
+
f
+
+
+
+
*
+
f
+
+
+
f
+
4-
f
+
»
+
f
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
4-
CN
H3N
H2N
HN
N
CNO
CN
HNO
NO
CN
H3N
H2N
HN
N
CNO
HNO
NO
H3N
H2N
HN
N
N2
N20
CN
HNO
NO
CNO
N02
C2H
C2H2
C2H3
C2H4
C2H5
C2H6
N
H2
N2
H2N
N20
N2
H2N
HN
NO
N
H20
H2
H2N
HNO
N02
NO
-------
C-8
Z 301.
I 302.
Z 303.
Z 304.
Z 305.
Z 306.
Z 307.
Z 308.
Z 309.
Z 310.
Z 311.
Z 312.
Z 313.
Z 314.
Z 315.
Z 316.
Z 317.
Z 318.
Z 319.
Z 320.
Z 321.
Z 322.
Z 323.
Z 324.
Z 325.
Z 326.
Z 327.
Z 328.
Z 329.
Z 330.
Z 331.
Z 332.
Z 333.
Z 334.
Z 335.
Z 336.
Z 337.
Z 338.
Z 339.
Z 340.
Z 341.
Z 342.
Z 343.
Z 344.
Z 345.
Z 346.
Z 347.
Z 348.
Z 349.
Z 350.
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHN
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
+ H02
+ H02
+ H02
+ H2
+ H2
+ H2N
+ H2N
+ H20
+ H20
+ H20
+ H20
+ H20
+ H20
+ H202
+ H202
+ H202
+ H202
+ H3N
+ N
+ NO
» NO
+ NO
+ N02
+ N02
+ 0
+ 0
+ 0
+ 0
+ 02
+ 02
+ 02
+ 02
+ 02
+ 03
+ 03
+ 03
+ CHO
+ CHO
+ CHO
+ CHO
+ CHO
+ CH2
+ CH2
+ CH2
+ CH2
+ CH20
+ CH20
* CH20
+ CH20
M
CN
CNO
C02
CH2
CH3
CH3
CN
CHO
CH2
CH20
CH3
CH30
CO
CH20
CH3
CH30
C02
CH4
CN
CHO
CN
CNO
CHO
CNO
CHO
CN
CNO
CO
CHO
CN
CNO
CO
C02
CHO
CNO
C02
CO
CH2
CH20
C2
C2H
C2H2
CH3
C2H
C2H2
C2H3
CH3
CH30
C2H
C2H2
H202
H20
H2N
HN
N
N2
H3N
H2N
HNO
HN
NO
N
H3N
HNO
N02
NO
H3N
N2
HN
N2
HNO
HN
N20
HNO
N
HO
H
HN
NO
H02
HO
HNO
HN
N02
H02
HNO
H
C02
CO
H202
H02
02
CO
H20
HO
0
C02
CO
H202
H02
M
-------
C-9
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
351.
352.
353.
354.
355.
356.
357.
358.
359.
360.
361.
362.
363.
364.
365.
366.
367.
368.
369.
370.
371.
372.
373.
374.
375.
376.
377.
378.
379.
380.
381.
382.
383.
384.
385.
386.
387.
388.
389.
390.
391.
392.
393.
394.
395.
396.
397.
398.
399.
400.
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
+ CH20
+ CH3
* CH3
+ CH3
+ CH3
+ CH3
+ CH30
+ CH30
+ CH30
+ CH30
+ CH30
+ CH4
+ CH4
+ CH4
+ CH4
+ CH4
+ CN
+ CN
+ CNO
+ CO
+ CO
+ C02
+ C2
+ C2H
+ C2H
+ C2H2
+ C2H2
+ C2H2
+ C2H3
+ C2H3
+ C2H3
+ C2H4
+ C2H4
+ C2H4
+ C2H5
+ C2H5
+ C2H5
+ C2H6
+ C2H6
+ H
+ H
+ H
+ HN
+ HN
+ HN
+ HN
+ HN
+ HNO
+ HNO
+ HNO
M
C2H3 +
CH2 +
CH4 +
C2H2 +
C2H3 +
C2H4 +
CH20 +
CH4 +
C2H2 +
C2H3 +
C2H4 *
CH2 +
CH20 +
C2H3 +
C2H4 +
C2H5 +
C2 +
C2H +
C2H +
C2 »
C2H +
C2H »
CO +
CH20 *
CO +
CH20 +
CH30 *
CO +
CH20 *
CH30 *
CO +
CH20 +
CH30 *
CO +
CH20 +
CH30 +
CO +
CH20 +
CH30 *
CH2 *
CH20
CO +
CH2 *
CH20 +
CN +
CNO +
CO +
CH2 *
CH20 +
CN *
02
CH20
CO
H20
HO
0
CH20
C02
H202
H02
02
CH30
CH3
H20
HO
0
HNO
NO
N02
H02
02
03
C2H
C2
C2H2
C2H
C2
C2H3
C2H2
C2H
C2H4
C2H3
C2H2
C2H5
C2H4
C2H3
C2H6
C2H5
C2H4
0
H2
NO
N
H20
H2
H2N
N02
NO
H202
M
-------
C-10
Z 401.
Z 402.
Z 403.
Z 404.
Z 405.
Z 406.
Z 407.
Z 408.
Z 409.
Z 410.
Z 411.
Z 412.
Z 413.
Z 414.
Z 415.
Z 416.
Z 417.
Z 418.
Z 419.
Z 420.
Z 421.
Z 422.
Z 423.
Z 424.
Z 425.
Z 426.
Z 427.
Z 428.
Z 429.
Z 430.
Z 431.
Z 432.
Z 433.
Z 434.
Z 435.
Z 436.
Z 437.
Z 438.
Z 439.
Z 440.
Z 441.
Z 442.
Z 443.
Z 444.
Z 445.
Z 446.
Z 447.
Z 448.
Z 449.
Z 450.
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CHO
CH2
CH2
CH2
+ HNO
+ HNO
+ HO
+ HO
* HO
+ HO
+ H02
+ H02
* H02
+ H02
+ H2
+ H2
+ H2
+ H2
+ H2N
+ H2N
+ H2N
+ H2N
+ H2N
+ H20
+ H20
+ H20
+ H20
+ H202
+ H202
+ H202
+ H3N
+ H3N
+ H3N
+ H3N
+ N
+ N
+ N
+ NO
+ NO
+ NO
* NO
+ N02
+ N02
+ N2
* N2
+ N20
+ 0
+ 0
+ 02
* 02
+ 03
+ CH2
+ CH2
+ CH2
M
CNO
C02
CH2
CH20
CO
C02
CH2
CH20
CO
C02
CH2
CH20
CH3
CH30
CH2
CH20
CH3
CH30
CO
CH2
CH20
CH3
CH30
CH20
CH3
CH30
CH20
CH3
CH30
CH4
CN
CNO
CO
CN
CNO
CO
C02
CNO
C02
CN
CNO
CNO
CO
C02
CO
C02
C02
C2H2
C2H3
C2H4
+ H20
+ H2N
+ 02
+ 0
+ H20
+ H2
+ 03
+ 02
+ H202
+ H20
+ HO
+ H
+ 0
+ HNO
+ HN
+ NO
+ N
+ H3N
+ H02
+ HO
+ 02
0
+ H02
+ 03
+ 02
-» H2N
+ HNO
» HN
+ NO
« HO
+ H
+ HN
+ H02
+ HO
+ HNO
+ HN
+ H02
+ HNO
+ HNO
» HN
+ HNO
« HO
+ H
+ H02
« HO
+ H02
+ H2
* H
M
M
-------
C-ll
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
451.
452.
453.
454.
455.
456.
457.
458.
459.
460.
461.
462.
463.
464.
465.
466.
467.
468.
469.
470.
471.
472.
473.
474.
475.
476.
477.
478.
479.
480.
481.
482.
483.
484.
485.
486.
487.
488.
489.
490.
491.
492.
493.
494.
495.
496.
497.
498.
499.
500.
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
+ CH20
+ CH20
+ CH20
+ CH20
+ CH3
+ CH3
+ CH3
+ CH30
+ CH30
+ CH30
+ CH30
+ CH4
+ CH4
+ CH4
+ CH4
+ CN
+ CN
+ CN
+ CNO
+ CNO
+ CNO
+ CO
+ CO
+ CO
+ C02
+ C02
+ C02
+ C02
+ C2H
+ C2H2
+ C2H2
+ C2H3
+ C2H3
+ C2H4
+ C2H4
* C2H5
+ C2H5
+ C2H6
+ C2H6
+ H
+ HN
+ HNO
+ HNO
+ HNO
+ HNO
+ HO
+ HO
+ HO
* H02
+ H02
M
« M
f M
M
CH4
C2H2
C2H3
C2H4
C2H3
C2H4
C2H5
CH20
C2H3
C2H4
C2H5
CH3
C2H4
C2H5
C2H6
C2
C2H
C2H2
CH20
C2H
C2H2
C2
C2H
C2H2
CH20
C2
C2H
C2H2
CH3
CH3
CH4
CH3
CH4
CH3
CH4
CH3
CH4
CH3
CH4
CH3
CH3
CH20
CH3
CH30
CO
CH20
CH3
CH30
CH20
CH3
CO
H20
HO
0
H2
H
CH3
H20
HO
0
CH3
H2
H
H2N
HN
N
CN
HNO
NO
H20
HO
0
CO
H202
H02
02
C2
C2H
C2
C2H2
C2H
C2H3
C2H2
C2H4
C2H3
C2H5
C2H4
N
HN
NO
N
H3N
H
0
HO
02
M
M
+ H
-------
C-12
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
501.
502.
503.
504.
505.
506.
507.
508.
509.
510.
511.
512.
513.
514.
515.
516.
517.
518.
519.
520.
521.
522.
523.
524.
525.
526.
527.
528.
529.
530.
531.
532.
533.
534.
535.
536.
537.
538.
539.
540.
541.
542.
543.
544.
545.
546.
547.
548.
549.
550.
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH2
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH2.0
CH20
CH20
+ H02
+ H2
+ H2
+ H2N
+ H2N
+ H20
+ H20
+ H20
+ H20
+ H202
+ H202
+ H202
+ H202
+ H3N
+ H3N
* N
+ NO
+ NO
+ NO
+ NO
+ N02
* N02
+ N02
+ N02
+ N03
+ N03
+ N2
+ N20
+ N20
+ 0
+ 0
+ 02
+ 02
+ 02
+ 03
+ 03
+ 03
+ CH20
+ CH20
+ CH20
+ CH20
+ CH3
+ CH3
+ CH3
+ CH30
+ CH30
+ CH30
+ CH4
+ CH4
M
M
M
CH30 +
CH3 +
CH4
CH3 *
CH4 +
CH20 +
CH3 +
CH30 +
CH4
CH20 +
CH3 +
CH30 +
CH4 +
CH3 +
CH4 +
CN +
CH20 +
CN +
CNO +
CO *
CH20 +
CN +
CNO +
C02 +
CH20 +
CNO +
CN +
CH20 +
CNO +
CH20
CO *
CH20 +
CO +
C02 +
CH20 +
CO +
C02 *
CO +
CH4 +
C2H2 +
C2H3 +
C2H4 +
C2H3 +
C2H4 »
C2H5 +
C2H3 *
C2H4 +
C2H5 +
CH3 *
C2H4 +
0
H
HN
N
H2
HO
H
0
H20
H02
HO
02
H2N
HN
H2
N
H20
H2
H2N
NO
H202
H20
H2N
N02
H202
H2N
N2
H2N
H2
0
H20
H2
02
H202
H20
H2
C02
H202
H02
02
H20
HO
0
H202
H02
02
CH30
H20
M
M
M
-------
C-13
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
551.
552.
553.
554.
555.
556.
557.
558.
559.
560.
561.
562.
563.
564.
565.
566.
567.
568.
569.
570.
571.
572.
573.
574.
575.
576.
577.
578.
579.
580.
581.
582.
583.
584.
585.
586.
587.
588.
589.
590.
591.
592.
593.
594.
595.
596.
597.
598.
599.
600.
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
+ CH4
+ CH4
+ CN
+ CN
+ CNO
+ CO
+ CO
+ CO
+ C02
+ C2
+ C2H
+ C2H
+ C2H2
+ C2H2
+ C2H3
+ C2H3
+ C2H4
+ C2H4
+ C2H5
+ C2H6
+ H
+ H
+ HN
+ HN
+ HN
+ HNO
+ HNO
+ HNO
+ HO
+ HO
+ H02
+ H02
+ H2
+ H2
+ H2
+ H2N
+ H2N
+ H2N
+ H20
« H20
+ H20
+ H202
+ H202
+ H3N
+ H3N
+ N
+ N
+ N
* NO
* NO
M
C2H5
C2H6
C2H
C2H2
C2H2
C2
C2H
C2H2
C2H2
CO
CH30
CO
CH30
CO
CH30
CO
CH30
CO
CH30
CH30
CH3
CH30
CHS
CH30
CO
CH3
CH30
C02
CHS
CH30
CH3
CH30
CH3
CH30
CH4
CH3
CH30
CH4
CH3
CH30
CH4
CH30
CH4
CH30
CH4
CN
CNO
CO
CN
CNO
HO
0
HNO
NO
N02
H202
H02
02
03
C2H2
C2
C2H3
C2H
C2H4
C2H2
C2H5
C2H3
C2H6
C2H4
C2H5
0
NO
N
H3N
N02
NO
H3N
02
0
03
02
HO
H
0
HNO
HN
NO
H02
HO
02
H02
03
H2N
HNO
H20
H2
H2N
H202
H20
M
-------
C-14
Z 601.
Z 602.
Z 603.
Z 604.
Z 605.
Z 606.
Z 607.
Z 608.
Z 609.
Z 610.
Z 611.
Z 612.
Z 613.
Z 614.
Z 615.
Z 616.
Z 617.
Z 618.
Z 619.
Z 620.
Z 621.
Z 622.
Z 623.
Z 624.
Z 625.
Z 626.
Z 627.
Z 628.
Z 629.
Z 630.
Z 631.
Z 632.
Z 633.
Z 634.
Z 635.
Z 636.
Z 637.
Z 638.
Z 639.
Z 640.
Z 641.
Z 642.
Z 643.
Z 644.
Z 645.
Z 646.
Z 647.
Z 648.
Z 649.
Z 650.
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH20
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
+ NO
+ N02
+ N2
+ 0
» 0
+ 02
+ 02
+ 03
+ CH3
+ CH3
+ CH3
+ CH30
+ CH30
+ CH30
+ CH4
+ CH4
+ CN
+ CN
+ CN
+ CN
+ CNO
+ CNO
+ CNO
+ CO
« CO
+ CO
+ C02
4- C02
+ C02
+ C02
+ C2H
+ C2H2
+ C2H3
+ C2H4
+ C2H5
+ C2H6
+ H
+ HN
+ HNO
+ HNO
* HO
+ HO
+ H02
* H02
+ H2
+ H2N
+ H20
+ H20
+ H202
+ H202
M
M
C02
CNO
CNO
CO
C02
CO
C02
C02
C2U4
C2H5
C2H6
C2H4
C2H5
C2H6
C2H5
C2H6
C2
C2H
C2H2
C2H3
CH30
C2H2
C2H3
C2H
C2H2
C2H3
CH30
C2H
C2H2
C2H3
CH4
CH4
CH4
CH4
CH4
CH4
CH4
CH4
CH30
CH4
CH30
CH4
CH30
CH4
CH4
CH4
CH30
CH4
CH30
CH4
H2N
H202
H2N
H20
H2
H202
H20
H202
H2
H
H20
HO
0
H2
H
H3N
H2N
HN
N
CN
HNO
NO
H20
HO
0
CO
H202
H02
02
C2
C2H
C2H2
C2H3
C2H4
C2H5
N
HN
NO
H
0
HO
02
H
HN
H2
HO
H20
H02
M
-------
C-15
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
651.
652.
653.
654.
655.
656.
657.
658.
659.
660.
661.
662.
663.
664.
665.
666.
667.
668.
669.
670.
671.
672.
673.
674.
675.
676.
677.
678.
679.
680.
681.
682.
683.
684.
685.
686.
687.
688.
689.
690.
691.
692.
693.
694.
695.
696.
697.
698.
699.
700.
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH3
CH30
CH30
CH30
CH30
CH30
CH30
CH30
CH30
CH30
CH30
CH30
CH30
CH30
CH30
CH30
CH30
CH30
CH30
CH30
CH30
CH30
CH30
CH30
CH30
CH30
CH30
CH30
CH4
CH4
CH4
CH4
CH4
CH4
CH4
CH4
CH4
CH4
CH4
+ H3N
+ NO
+ NO
+ N02
* N02
+ N03
+ N2
+ N20
+ N20
+ 0
+ 02
+ 03
+ CH30
« CH30
+ CH30
+ CH4
+ CH4
+ CN
+ CN
+ CNO
+ CO
+ CO
+ CO
+ C02
+ C2
+ C2H
+ C2H2
+ C2H3
+ H
+ HN
+ HNO
+ HO
+ H02
+ H2
+ H2N
+ H20
+ N
+ NO
+ N2
+ CH4
+ CN
* CN
+ CN
+ CN
+ CNO
* CNO
+ CO
+ CO
+ CO
»- C02
M
CH4 +
CH30 +
CO +
CH30 +
C02 «
CH30 +
CN +
CH30 +
CNO +
CH30
CH30 +
CH30 +
C2H4 +
C2H5 *
C2H6 *
C2H5 +
C2H6 +
C2H2 +
C2H3 +
C2H3 +
C2H +
C2H2 +
C2H3 +
C2H3 +
CO +
CO +
CO +
CO +
CH4 +
CH4 *
CH4 +
CH4 +
CH4 +
CH4 +
CH4 +
CH4 +
CO +
C02 +
CNO +
C2H6 +
C2H +
C2H2 «
C2H3 +
C2H4 +
C2H3 «
C2H4 *
C2H2 +
C2H3 «
C2H4 +
C2H2 +
H2N
N
H3N
NO
H3N
N02
H3N
N2
H3N
0
02
H202
H02
02
H20
HO
HNO
NO
N02
H202
H02
02
03
C2H3
C2H4
C2H5
C2H6
0
NO
N02
02
03
HO
HNO
H02
H3N
H3N
H3N
H2
H3N
H2N
HN
N
HNO
NO
H20
HO
0
H202
M
-------
C-16
Z 701. CH4 + C02 = C2H3 + H02
Z 702. CH4 « C02 = C2H4 + 02
Z 703. CH4 + C2H6 = C2 + C2
Z 704. CN + CN = C2 + N2
Z 705. CN + CNO = C2 + N20
Z 706. CN + CO = C2 » NO
Z 707. CN + C02 = CNO + CO
Z 708. CN + C02 = C2 + N02
Z 709. CN + HNO = CNO + HN
Z 710. CN + HO = CNO + H
Z 711. CN + HO = CO + HN
Z 712. CN + H02 = CNO * HO
Z 713. CN + H02 = CO + HNO
Z 714. CN + H02 = C02 + HN
Z 715. CN + H20 = CNO + H2
Z 716. CN + H20 = CO * H2N
Z 717. CN + H202 = CNO + H20
Z 718. CN + H202 = C02 + H2N
Z 719. CN * NO = CNO + N
Z 720. CN + NO = CO + N2
Z 721. CN + N02 = CNO + NO
Z 722. CN + N02 = CO + N20
Z 723. CN + N02 = C02 + N2
Z 724. CN * N03 = CNO + N02
Z 725. CN + N03 = C02 + N20
Z 726. CN + N20 = CNO + N2
Z 727. CN + 0 * M = CNO + M
Z 728. CN * 0 = CO + N
Z 729. CN + 02 = CNO + 0
Z 730. CN + 02 = CO » NO
Z 731. CN + 02 = C02 + N
Z 732. CN + 03 = CNO + 02
Z 733. CN + 03 = CO + N02
Z 734. CN + 03 = C02 + NO
Z 735. CNO +M =CO +N +M
Z 736. CNO + CO = C2 * N02
Z 737. CNO + C02 = C2 + N03
Z 738. CNO + H = CO + HN
Z 739. CNO + HO = CO + HNO
Z 740. CNO + HO = C02 + HN
Z 741. CNO + H02 = C02 + HNO
Z 742. CNO + H2 = CO + H2N
Z 743. CNO * H20 = C02 + H2N
Z 744. CNO + N = CO + N2
Z 745. CNO + NO = CO + N20
Z 746. CNO + NO » C02 + N2
Z 747. CNO + N02 = C02 + N20
Z 748. CNO * 0 = CO * NO
Z 749. CNO + 0 = C02 + N
Z 750. CNO +02 = CO * N02
-------
C-17
Z 751.
Z 752.
Z 753.
Z 754.
Z 755.
Z 756.
Z 757.
Z 758.
Z 759.
Z 760.
Z 761.
Z 762.
Z 763.
Z 764.
Z 765.
Z 766.
Z 767.
Z 768.
Z 769.
Z 770.
Z 771.
Z 772.
Z 773.
Z 774.
Z 775.
Z 776.
Z 777.
Z 778.
Z 779.
Z 780.
Z 781.
Z 782.
Z 783.
Z 784.
Z 785.
Z 786.
Z 787.
Z 788.
Z 789.
Z 790.
Z 791.
Z 792.
Z 793.
Z 794.
Z 795.
Z 796.
Z 797.
Z 798.
Z 799.
Z 800.
CNO
CNO
CNO
CO
CO
CO
CO
CO
CO
CO
CO
CO
CO
CO
CO
CO
CO
C2
C2
C2
C2
C2
C2
C2
C2
C2
C2
C2
C2
C2
C2
C2
C2
C2
C2
C2
C2
C2
C2
C2
C2
C2
C2H
C2H
C2H
C2H
C2H
C2H
C2H
C2H
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4-
4
4
02
03
03
CO
C02
HNO
HO
H02
H20
H202
NO
N02
N03
N20
0
02
03
C2H2
C2H3
C2H4
C2H4
C2H5
C2H5
C2H6
C2H6
C2H6
H
HN
HNO
HO
H02
H2
H2
H2N
H2N
H20
H20
H202
H202
H3N
H3N
H3N
C2H3
C2H4
C2H5
C2H5
C2H6
C2H6
H
HN
M
M
M
» M
C02
CO
C02
C2
C2
C02
C02
C02
C02
C02
C02
C02
C02
C02
C02
C02
C02
C2H
C2H
C2H
C2H2
C2H
C2H2
C2H
C2H2
C2H3
C2H
C2H
C2H
C2H
C2H
C2H
C2H2
C2H
C2H2
C2H
C2H2
C2H
C2H2
C2H
C2H2
C2H3
C2H2
C2H2
C2H2
C2H3
C2H2
C2H3
C2H2
C2H2
NO
N03
N02
02
03
HN
H
HO
H2
H20
N
NO
N02
N2
0
02
C2H
C2H2
+ C2H3
* C2H2
4 C2H4
4 C2H3
4 C2H5
4 C2H4
4 C2H3
N
NO
0
02
H
HN
N
HO
0
H02
02
H2N
HN
N
4 C2H2
4 C2H3
4 C2H4
4 C2H3
4 C2H5
4 C2H4
4 M
4 M
4 M
4 M
4 N
-------
C-18
Z 801.
Z 802.
Z 803.
Z 804.
Z 805.
Z 806.
Z 807.
Z 808.
Z 809.
Z 810.
Z 811.
Z 812.
Z 813.
Z 814.
Z 815.
Z 816.
Z 817.
Z 818.
Z 819.
Z 820.
Z 821.
Z 822.
Z 823.
Z 824.
Z 825.
Z 826.
Z 827.
Z 828.
Z 829.
Z 830.
Z 831.
Z 832.
Z 833.
Z 834.
Z 835.
Z 836.
Z 837.
Z 838.
Z 839.
Z 840.
Z 841.
Z 842.
Z 843.
Z 844.
Z 845.
Z 846.
Z 847.
Z 848.
Z 849.
Z 850.
C2H
C2H
C2H
C2H
C2H
C2H
C2H
C2H
C2H
C2H
C2H
C2H
C2H
C2H
C2H2
C2H2
C2H2
C2H2
C2H2
C2H2
C2H2
C2H2
C2H2
C2H2
C2H2
C2H2
C2H2
C2H2
C2H2
C2H2
C2H2
C2H2
C2H2
C2H2
C2H3
C2H3
C2H3
C2H3
C2H3
C2H3
C2H3
C2H3
C2H3
C2H3
C2H3
C2H3
C2H3
C2H3
C2H3
C2H3
+ HNO
+ HO
+ H02
+ H2
+ H2
+ H2N
+ H2N
+ H20
+ H20
+ H202
+ H202
+ H3N
+ H3N
+ H3N
+ C2H4
+ C2H5
+ C2H6
+ C2H6
+ H
+ HN
+ HNO
+ HO
+ H02
+ H2
+ H2
+ H2N
+ H2N
+ H20
+ H20
+ H202
+ H202
+ H3N
+ H3N
+ H3N
+ C2H5
+ C2H6
+ H
+ HN
+ HNO
+ HO
+ H02
+ H2
+ H2
+ H2N
+ H2N
+ H20
+ H20
+ H202
+ H202
+ H3N
M
M
M
M
M
C2H2
C2H2
C2H2
C2H2
C2H3
C2H2
C2H3
C2H2
C2H3
C2H2
C2H3
C2H2
C2H3
C2H4
C2H3
C2H3
C2H3
C2H4
C2H3
C2H3
C2H3
C2H3
C2H3
C2H3
C2H4
C2H3
C2H4
C2H3
C2H4
C2H3
C2H4
C2H3
C2H4
C2H5
C2H4
C2H4
C2H4
C2H4
C2H4
C2H4
C2H4
C2H4
C2H5
C2H4
C2H5
C2H4
C2H5
C2H4
C2H5
C2H4
+ NO
* 0
+ 02
+ H
+ HN
+ N
+ HO
+ 0
+ H02
+ 02
+ H2N
+ HN
+ N
+ C2H3
+ C2H4
+ C2H5
+ C2H4
+ N
+ NO
+ 0
+ 02
+ H
+ HN
+ N
+ HO
+ 0
+ H02
+ 02
* H2N
+ HN
+ N
+ C2H4
+ C2H5
+ N
« NO
+ 0
+ 02
+ H
+ HN
* N
+ HO
+ 0
* H02
+ 02
+ H2N
M
« M
M
M
M
-------
C-19
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
851.
852.
853.
854.
855.
856.
857.
858.
859.
860.
861.
862.
863.
864.
865.
866.
867.
868.
869.
870.
871.
872.
873.
874.
875.
876.
877.
878.
879.
880.
881.
882.
883.
884.
885.
886.
887.
888.
889.
890.
891.
892.
893.
894.
895.
896.
897.
898.
899.
900.
C2H3
C2H3
C2H4
C2H4
C2H4
C2H4
C2H4
C2H4
C2H4
C2H4
C2H4
C2H4
C2H4
C2H4
C2H4
C2H4
C2H4
C2H4
C2H5
C2H5
C2H5
C2H5
C2H5
C2H5
C2H5
C2H5
C2H5
C2H5
H
H
H
H
H
H
H
H
H
H
H
H
H
H
H
H
H
H
H
H
H
H
4
4
4-
4-
4
4
4
4
4-
4-
4-
4-
4-
4
4
4
4
4
4
4
4
4
4-
4-
4-
4
4-
4
4
4-
4-
4-
4
4-
4
4-
4-
4-
4-
4-
4
4-
4
4-
4>
4-
4-
4-
4-
4
H3N
H3N
C2H6
H
HN
HNO
HO
H02
H2
H2
H2N
H2N
H20
H20
H202
H202
H3N
H3N
H
HN
HNO
HO
H02
H2
H2N
H20
H202
H3N
H
HN
HN
HNO
HNO
HNO
HNO
HO
HO
H02
H02
H02
H02
H2N
H2N
H20
H202
H202
H3N
N
NO
NO
4 M
4 M
4- M
4- M
4 M
4 M
4 M
4 M
4- M
4- M
C2H5
C2H6
C2H5
C2H5
C2H5
C2H5
C2H5
C2H5
C2H5
C2H6
C2H5
C2H6
C2H5
C2H6
C2H5
C2H6
C2H5
C2H6
C2H6
C2H6
C2H6
C2H6
C2H6
C2H6
C2H6
C2H6
C2H6
C2H6
H2
H2
H2N
HN
H2
H2N
H20
H2
H20
HO
H2
H20
H202
HN
H3N
HO
HO
H02
H2
HN
HN
HNO
HN
N
4-
4-
4- C2H5
N
NO
0
02
H
HN
N
HO
0
H02
02
H2N
HN
N
NO
0
02
H
HN
HO
H02
H2N
4- N
HO
NO
0
N
0
HO
02
0
4- H2
H2
H20
H2
H2N
4- M
4- M
4- M
4 M
4- M
4- M
4 M
4- M
4 0
4 M
4- M
-------
C-20
Z 901. H + NO = HO + N
Z 902. H + N02 = HN + 02
Z 903. H + N02 = HNO + 0
Z 904. H + N02 = HO + NO
Z 905. H + N02 = H02 + N
Z 906. H + N03 = HN +03
Z 907. H + N03 = HNO + 02
Z 908. H + N03 = HO + N02
Z 909. H + N03 = H02 + NO
Z 910. H + N2 = HN + N
Z 911. H + N20 = HN + NO
Z 912. H + N20 = HNO + N
Z 913. H + N20 = HO + N2
Z 914. H +0 +M =HO + M
Z 915. H +02 = HO + 0
Z 916. H + 02 + M = H02 + M
Z 917. H +03 » HO + 02
Z 918. H + 03 = H02 + 0
Z 919. HN + HN = H2 + N2
Z 920. HN + HN = H2N + N
Z 921. HN + HNO = H2 * N20
Z 922. HN + HNO = H2N + NO
Z 923. HN + HNO = H20 + N2
Z 924. HN + HO = H2 + NO
Z 925. HN + HO = H2N + 0
Z 926. HN + HO = H20 + N
Z 927. HN + H02 = HNO + HO
Z 928. HN + H02 = H2 + N02
Z 929. HN + H02 = H2N + 02
Z 930. HN + H02 = H20 + NO
Z 931. HN + H02 = H202 + N
Z 932. HN + H2 + M = H3N + M
Z 933. HN + H2N = H3N + N
Z 934. HN + H20 = HNO + H2
Z 935. HN + H20 = HO + H2N
Z 936. HN + H20 = H3N + 0
Z 937. HN + H202 = HNO + H20
Z 938. HN + H202 = H02 + H2N
Z 939. HN + H202 = H3N * 02
Z 940. HN * H3N = H2N + H2N
Z 941. HN + NO = HNO + N
Z 942. HN + NO = HO + N2
Z 943. HN + N02 = HNO + NO
Z 944. HN + N02 = HO + N20
Z 945. HN + N02 = H02 * N2
Z 946. HN + N03 = HNO + N02
Z 947. HN + N03 = H02 + N20
Z 948. HN + N20 = HNO- + N2
Z 949. HN * 0 + M = HNO + M
Z 950. HN + 0 = HO + N
-------
C-21
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
z
951.
952.
953.
954.
955.
956.
957.
958.
959.
960.
961.
962.
963.
964.
965.
966.
967.
968.
969.
970.
971.
972.
973.
974.
975.
976.
977.
978.
979.
980.
981.
982.
983.
984.
985.
986.
987.
988.
989.
990.
991.
992.
993.
994.
995.
996.
997.
998.
999.
1000.
HN
HN
HN
HN
HN
HN
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HNO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
HO
+ 02
+ 02
+ 02
+ 03
+ 03
+ 03
+ HNO
+ HNO
+ HNO
+ HO
+ HO
+ HO
+ HO
+ H02
+ H02
+ H02
+ H02
+ H2
+ H2
+ H2N
+ H20
+ H20
+ H202
+ N
+ NO
+ NO
* N02
+ 0
+ 0
+ 02
* 02
* 03
* 03
+ HO
+ HO
* HO
+ H02
+ H02
+ H02
+ H2N
+ H20
+ H202
+ H3N
+ NO
+ N02
+ N03
+ N20
+ 0
+ 02
M
M
» M
HNO
HO
H02
HNO
HO
H02
HO
H2N
H20
H202
H2
H2N
H20
H202
H2
H2N
H20
H202
HO
H3N
H3N
H02
H3N
H3N
HO
HO
H02
H02
HO
H02
HO
H02
HO
H02
H2
H20
H202
H2
H20
H202
H3N
H02
H02
H2N
H02
H02
H02
H02
H02
H02
+ 0
+ NO
+ N
* 02
+ N02
+ NO
+ N
+ N02
+ N20
+ N2
+ N02
+ 02
+ NO
* N
+ N03
+ 03
+ N02
* NO
* H2N
4- 0
+ NO
+ H2N
+ 02
+ 03
+ N2
+ N20
* N2
+ N20
+ NO
+ N
+ N02
+ NO
+ N03
+ N02
+ 02
+ 0
+ 03
+ 02
+ 0
* 0
» H2
+ H20
» H20
+ N
f NO
( N02
+ N2
+ 0
M
M
M
-------
C-22
Z1001.
Z1002.
Z1003.
Z1004.
Z1005.
Z1006.
Z1007.
Z1008.
Z1009.
Z1010.
Z1011.
Z1012.
Z1013.
Z1014.
Z1015.
Z10L6.
Z1017.
Z1018.
Z1019.
Z1020.
Z1021.
Z1022.
Z1023.
Z102A.
Z1025.
Z1026.
Z1027.
Z1028.
Z1029.
Z1030.
ZL031.
Z1032.
Z1033.
Z1034.
ZL035.
Z1036.
Z1037.
Z1038.
Z1039.
Z1040.
Z1041.
Z1042.
Z1043.
Z1044.
Z10A5.
Z1046.
Z1047.
Z1048.
Z1049.
Z1050.
HO
H02
H02
H02
HO 2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2
H2N
H2N
H2N
H2N
H2N
H2N
H2N
H2N
H2N
H20
H20
H20
H20
H20
H20
H20
N
N
N
N
N
N
N
N
N
N
N
+ 03
+ H02
+ H02
+ H2N
+ H3N
+ H202
+ N
+ NO
+ NO
+ N02
+ N02
+ N02
+ N03
+ N03
+ N03
* N2
+ N20
+ N20
+ 0
+ 02
+ 02
+ 03
+ 03
+ NO
+ N02
+ N02
+ N03
+ 0
+ 02
+ 02
+ 03
+ 03
+ NO
+ N02
+ N03
+ N20
+ 0
+ 02
+ 03
+ N
NO
+ NO
+ N02
4- N02
+ N02
+ N03
+ N03
N03
« N20
+ 0
-I- M
M
M
» M
M
M
» M
H02 *
H20 *
H202 +
H3N »
H2N +
H20 +
H2N
H2N »
H20 +
H2N +
H20 +
H202 +
H2N +
H20 +
H202 +
H2N +
H2N »
H20 +
H20
H20 +
H202
H20 +
H202 +
H20 +
H20 +
H202 +
H202 +
H20 +
H20 *
H202 +
H20 +
H202 +
H202 +
H202 »
H202 +
H202 +
H202
H202 +
H202 +
N2
N2 +
N20
NO +
N2 +
N20 +
NO +
N2 +
N20 +
NO +
NO
02
03
02
02
H202
H20
0
N
02
NO
N
03
N02
NO
N
NO
N2
0
02
0
N2
N20
N2
N20
N
NO
N
N02
NO
N
NO
N02
N2
0
02
0
NO
02
0
N02
03
02
N2
M
M
« M
» M
M
M
M
-------
C-23
Z1051. N -i- 02 = NO + 0
11052. N + 02 + M = N02 -I- M
Z1053. N +03 = NO + 02
Z1054. N + 03 = N02 + 0
Z1055. N + 03 + M = N03 + M
Z1056. NO + NO = N2 + 02
Z1057. NO + NO = N20 + 0
Z1058. NO + N02 = N2 +03
Z1059. NO + N02 = N20 + 02
Z1060. NO + N03 = N02 + N02
Z1061. NO + N03 = N20 + 03
Z1062. NO + N20 = N02 + N2
Z1063. NO + 0 + M = N02 + M
Z1064. NO + 02 = N02 + 0
Z1065. NO +02 + M = N03 + M
Z1066. NO + 03 = N02 + 02
Z1067. NO + 03 = N03 + 0
Z1068. N02 + N02 = N20 + 03
Z1069. N02 + N20 = N03 + N2
Z1070. N02 +0 + M = N03 + M
Z1071. N02 +02 = N03 + 0
Z1072. N02 +03 = N03 + 02
Z1073. N2 + 0 + M = N20 + M
Z1074. N2 + 02 = N20 + 0
Z1075. N2 + 03 = N20 + 02
Z1076. 0 +0 +M =02 +M
Z1077. 0 +02+M =03 +M
Z1078. 0 +03 =02+02
-------
D-l
SUMMARY OP IHFORHATIOS
OH REACTIONS IN KINETICS SURVEY
RECOMMENDED RATES FOR REACTIONS FOUND IH THE
LITERATURE ASP ADDITIONAL REACTIOHS OF POTENTIAL lltPOHTASCE
This Appendix contain* a summary of the Info nut Ion contained
in Section* 6, 7 and 8 of this report on the recommended reaction retSB.
It also indicate* reaction* for which no rate deta are available. Thli
listing i* in * fonat for direct comparison with the listing in Section
6 on the evaluation of probable relative reaction importance.
In assembling recommendation* for rates to be used, every
attempt was made to u*e existing critical evaluation*. Thi* was done
*o as not Co impose an additional layer of "slightly different" rate
parameter* to an already confusing array of differing opinion*. Where
alteration* were required the nature of the change has been carefullv
EVALUATION OP PROBABLE
RELATIVE REACTION IMPORTANCE
This aactlon contain* * reaction-by-reaction evaluation of
the potential importance of each of the 322 reaction* considered in
thi* study. It i* extremely important to understand the groundniles
for the evaluation and scope of it* applicability. The comments found
in thi* section refer only to the combustion of methane-air from
80-1251 stoichlometric air, fro* 150G-25QOK. This baa been stated
elsewhere in thi* report, but bear* repeating. The u*e of the
information in this section outside the limits mentioned. My be
valid, but should be approached with caution. Hot only would the
relative importance of the given reaction* require evaluation for
specific conditions but other specie* and, therefore, additional
reactions alght have to be considered out*lde those Halt*. And of
course, other reaction systems *uch as higher hydrocarbons or fuel-
nitrogen containing systems would bear their own evaluation*.
The heading* in this section are as follows:
Headings Description
Written in both direction*
Reaction number indicated
P - Forward
K Reverse
aHr for both directions given at 2000K
(mid-range of 1SOO-2SOOK)
note: in the therscchealeol table*
4Hr29B 1* used in the expre**ion
for log KC in Section * of the full survey
A Probably Important
B Possibly important
C Probably unimportant
* Hag Indicating reaction was rated
either A or B
Notes explaining reason* for rooking
Indicated. Where critical evaluations wer
nade of reliable experimental data in the
range. Where data la the appropriate rang
reliable data outside the temperature rang
range of intereat wich a reaaonable tenpei
not available, use was
ppropriatc temperature
were not available,
were extrapolated to the
ture dependence. Where
such data were available, literature estimate* that *eemed reaaonable
were used. And finally, where no literature eatlmaces were available,
reasonable estimates ware nade or were requested to be made as indicated.
In all case*, an atteopt has been nade co make the races
self cona latent; i.e., Co bring relative rate* of competing reaction*
into line. While * number of rates have been altered for this purpose,
there may still exist some that are not yet consistent with other
similar reactions. In many case*, recently revised thermochemistry has
an Influence on estimated activation energies of reactions. In coses
where older estimate* have activation energies significantly bclou the
endo thermic ity currently calculated, appropriate adjuataents have been
mode.
The rote* given are recommendation* aa of December 31, 1974.
The heading* in thi* section are aa follow*:
Heading* _ Description _
REACTION Written in the direction of the recommendation.
Each reaction i* recommended in one direction only.
Reverse rate may be obtained by using the expression
for K,. in Section 4 of the full survey
"c "f^r
Each reaction ia numbered and direction indicated
F Forward of master reaction
R Reverse of master reaction
* Flag to Indicate that reaction should be considered
in initial screening for combustion of methane/air
at one atmosphere between 1500-2500K and 80-1251
tolchlometric air.
LOG A Common logarithm of con* toot preexponantial term.
Uncertainty in parenthesis.
B
C
not.:
COMMENTS
Exponent of T
Activation energy (kcal/mole)
Uncertainty in parenthesis.
T»
Basis for selection of recommendation.
Reference* listed in Section 9 of the full *urvey
Explanation of notes:
Note A - So experimental dace in literature, given
rate selected a* aost reliable.
Note B - Ho other estimate available In literature.
Note C - No literature estimate available, estimated
as indicated.
Note D - Limited experimental data available, use
with caution.
(J-P) - Johnston-Parr method.
(EST) - Order of magnitude estimate.
(EVAL) - Evaluation.
(XPT) - Based on experimental determination*.
Calculated from recommended rate expression at temperature*
of 300. 1500, 2000 and 2500K (note: 300K 1* outs Ida
considered range, provided for reference only).
-------
REACTION
IF. CH CHN CH2 CN
1R. CH2 CN CH . CHN
If. CH CHO CH2 CO
2R. CK2 > CO CH > CHO
IF. CH » CH20 CHO CH2
3R. CHO CH2 CH CH20
4F. CH CH20 CHI CO
4R. CHI > CO CH > CH20
3R. CH2 < CH2 CH CH3
6F. CH . CH30 CHO CH3
6R. CHO CHI - CH CH10
TF. CH CH10 CH2 CH20
TR. CH2 CH20 CH » CH30
«F. CH . CH10 - CH4 * CO
«R. CH* CO CH » CH30
9R. CH2 CHI CH CK4
IOF. CH C02 CHO ' CO
10R. CHO « CO CH » C02
REACTION
11F. CH H M CH2 M
11R. CH2 »H«CH*H»H
12F. CH « KN CHN H
12R. CHN » H CH » HN
I3F. CH HN CH2 N
11R. CH2 N CH « HN
14F. CH » HN CN » H2
14R. CN » H2 CH + HN
19F. CH « HNO CHN t HO
1SR. CHN HO " CH HNO
16F. CH HNO CHO HN
16R. CHO HN CH HNO
17F. CH HNO CH2 NO
17R. CH2 . NO CH . HNO
IBF. CH HNO CH20 N
1BR. CH20 N CH « HNO
19F. CH * HNO CN » H20
19R. CN H20 CH » HNO
20F. CH * HO CHO * H
20R. CHO H CH HO
HR
20.3
-20.3
-B9.9
B9.9
-15.6
15.6
-108.6
10B.6
-7.4
-102.7
102.7
-79.6
79.6
-191.3
191.}
-3.0
-6B.3
6B.1
HR
-109.1
109.1
-149.4
145.4
-26.2
26.2
128*4
-121. a
121. a
-67. a
67.8
-32.4
52.4
-78.4
7B.4
-121.7
121.7
-89.4
89.4
NOTES COMMENTS
B CONSIDER BOTH DIRECTIONS, FUEL RICH
B POSSIBLE ROLE CN/HCN
PROBABLY HINOR
C FORWARD UNIMPORTANT FOR CHO REMOVAL
C Hi 0, HO HORE LIKELY REACTION PARTNERS
REVERSE ENDOTHERHIC
C CH. CH2 HINOR R» PARTNERS FOR CHO. CH20
C
C CH MINOR RX PARTNER FOR CH20
C REVERSE HIGHLY ENDOTHERHIC
C ICHIICH1I AND ICH2IICH2I LIKELY SMALL
C POSSIBLE FUEL RICH
C LOW CONCENTRATIONS FORWARD
C REVERSE HIGHLY ENOOTHERMIC
C LOW CONCENTRATIONS' FORWARD
C REVERSE ENOOTHERNIC
C NOT LIKELY TO BE ELEMENTARY REACTION
C
B * CONSIDER BOTH DIRECTIONS. FUEL RICH
B CH4 STARTING HATLi CHI INITIAL INTERMEO
THERMALLY NEUTRAL
8 CONSIDER FORWARD, FUEL RICH
C ICD2I HIGH. PATH FROM CH TO CO
REVERSE ENOOTHERMIC
NOTES COMMENTS
C THIRD ORDER. LOW CONC IN FORWARD
C REVERSE HIGHLY ENOOTHERHIC
C LOW CONCENTRATIONS FORWARD
C HIGHLY ENOOTHERNIC REVERSE
C LOW CONCENTRATIONS BOTH DIRECTIONS
C
C LOW CONCENTRATIONS FORWARD
C REVERSE HIGHLY ENOOTHERHIC
FOUR-CENTER REACTION
C FORWARD POSSIBLE FOR NOH STRUCTURE
C CONCENTRATIONS LOW
REVERSE HIGHLY ENOOTHERMIC
C LOW CONCENTRATIONS BOTH DIRECTIONS
C REVERSE ENOOTHERHIC
C LOW CONCENTRATIONS FORWARD
C CH2 » NO CH20 N HORE LIKELY REVERSE
C LOW CONCENTRATIONS FORWARD
C REVERSE ENOOTHERHIC
C LOW CONCENTRATIONS FORWARD
C REVERSE HIGHLY ENDOTHERNIC
FOUR-CENTER REACTION FOR NOH STRUCTURE
8 CONSIDER FORWARD
C REVERSE ENOOTHERMIC
REACTION
IR. CH2 CN CH CHN
2F. CH CHO CH2 CO
IF. CH CH20 CH2 CHO
4F. CH . CH20 CHI CO
5R* CH2 CH2 CH + CH3
6F. CH « CH30 CHO CHI
7F. CH CH10 CH2 CH20
BF. CH > CH10 CH4 » CO
IOF. CH C02 CHO CO
REACTION
11F. CH H H . CH2 H
12F. CH * HN CHN » H
11R. CH2 N CH HN
14F. CH » HN CN * H2
15F. CH HNO CHN < HO
16F. CH « HNO CHO HN
17F. CH 1 HNO CH2 > NO
IBF. CH « HNO . CH20 N
19F. CH HNO - CN > H20
20F. CH * HO CHO » H
LOG A B C COMMENTS
12.3 0. 5. SRI ESTIMATE
10.9 0.7 1. BASED ON Tl IJ-PI
10.9 1 1 3. 1 NOTE A
11.0 0.7 4. BASED ON Tl IJ-PI
10.9 1 1 9. 1 NOTE A
NO RATE DATA
11.7 0.9 6. BASED ON Tl IESTI
10.5 1 1 9. 1 NOTE B
NO RATE DATA
NO RATE -DATA
NO RATE DATA
10.9 1 1 5. 1 NOTE A
10.0 0.5 6. BASED ON Tl IESTI
10.9 1 1 9. 1 NOTE 8
LOG A B C COMMENTS
19.0 -1. 0. EST BY METHOD OF I
10.9 1 NOTE C
NO RATE DATA
11.8 0.67 40.5 BASED ON MB IJ-PI
10. 9 1 1 5. 1 NOTE B
NO RATE DATA
NO RATE DATA
NO RATE DATA
11. 8 0.5 0. BASED ON Tl IESTI
10.5 1 1 5. 1 NOTE B
NO RATE DATA
NO RATE DATA
11.7 0.5 10. BASED ON Tl IESTI
10.9 1 1 5. 1 NOTE B
TEMP. KELVIN
100 1500 2000 2500
LOG K
B.9 II.a 12.0 12.1
11.5 12.6 12.7 12.a
9.B 12.6 12.9 11.0
B.6 12.4 12.7 12.9
a.I 12.7 11.1 13.1
6.9 10.7 11.0 11.2
TEMP, KELVIN
300 1500 2000 2500
LOG K
-16.0 a.O 9.6 10. J
13.0 11.4 11.5 11.5
3.7 11.B 12.3 12.3
-------
21F.
21*.
CM HO CHI < 0
CH2 0 CH HO
1.2
-1.2
CH < HO - CHO K HORE LIKELr FORWARD
CH2 0 CKO « H MOKE LIKELY REVERSE
REACTION LOO A 8 C COMMENTS
CH2 0 CH HO 11.} 0.7 26. BASED ON He IJ-PI
(0.5 I I 5. I NOTE A
TEHP. KELVIN
300 1500 2000 2500
LOG K
-5.9 9.7 10.a 11.*
22F. CH HO » H - CH20 H -17B.9 C
22*. CH20 H CH HO » M 171.9 C
23F. CH HO CD HZ -176.3 C
23*. CO HZ CH . HO 171.3 C
24F. CH H02 CHO HO -129.6 C
24*. CHO « HO CH H02 129.6 C
2SF. CH » H02 CH2» 02 -54.7 B
25*. CH2> 02 CH H02 54.7 C
THIRD ORDER, LOW CONCENTRATION FORWARD
REVERSE HIGHLY ENDOTHERHIC
NOT LIKELY TO BE ELEMENTARY REACTION
FOUR-CENTER REACTION
CH » HO CHO H HORE LIKELY FORWARD
REVERSE HIGHLY ENDOTHERHIC
H-02 WEAKER THAN KO-0
CH H02 CH2 H02 HORE LIKELY FORWARD
REVERSE HIGHLY ENOOTHERHIC
CONSIDER FORWARD
REVERSE ENDOTHERHIC
22F. CH > HO H CH20 H
23F. CH . HO CO H2
NO RATE DATA
NO RATE OATA
CH H02 CHO » HO 11.7 0.5 6. BASED ON Tl IESTI
10.5 ) 15.) NOTE B
CH > H02 CH2 » 02 10.0 0.5 15. BASED ON M IESTI
10.5 I I 5. I NOTE B
B.6 12.4 12.7 12.9
9.4 10.0
26F.
26R.
CH H02 CH20 > 0
CH20 0 CH » H02
-112.B C NOT LIKELY TO BE ELEMENTARY REACTION
112.B C
26F. CH * H02 CH20 * 0
NO RATE OATA
27F.
27R.
2BF.
2BR.
CH H02 -CD » H20
CO H20 CH H02
CH H02 C02 H2
C02 * H2 CH * H02
-233.4 C FOUR-CENTER REACTION
233.4 C CH H02 CH2 02 MORE LIKELY FORWARD
REVERSE HIGHLY EHOOTHERNIC
-239.7 C NOT LIKELY TO BE ELEMENTARY REACTION
239.7 C
27F. CH H02 CO > H20
2BF. CH H02 C02 > H2
NO RATE OATA
NO RATE DATA
29F.
29«.
30F.
30*.
CH » HZ CH2 * H
CH2 H > CH > H2
CH * HZ » H CH3 H
CH3 « H CH * H2 * H
3.4 B CONSIDER BOTH DIRECTIONS FUEL RICH
-3.4 B
-109.2 C NOT LIKELY TO BE ELEMENTARY REACTION
109.2 C
CH2 H CH H2 11.5 0.7 5. BASED ON HBiTI IJ-PI
(0.5 I I 5. I WITH C-5
NOTE A
30F. CH H2 M . CH3 t H
NO RATE OATA
9.6 13.0 13.3 13.4
31F.
31*.
CH H20 > CHO t H2
CHO H2 CH H20
-74.5 C
74.5 C
COHHENTS
NOT LIKELY TO BE ELEHENTARY REACTION
REACTION
H20 CHO H2
C COHHENTS
NO RATE DATA
TEHP, KELVIN
300 1500 2000 2500
LOG K
3ZF. CH > H20 CH2« HO IB.2 B
32*. CH2* HO CH H20 -18.2 B
33F. CH H20 CH20 * H -55.6 C
33*. CH20 H CH H20 55.6 C
34F. CH H20 CH3 0 12.0 C
34R. CH3 * 0 CH » H20 -12.0 C
35F. CH H20 > K CH30 ' H -81.1 C
35*. CH30 H . CH » H20 « H Bl.l C
CONSIDER BOTH DIRECTIONS FUEL RICH
NOT LIKELY TO BE ELEHENTARY REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
HO CH * H20 11.7 0.5 6. BASED ON Tl IESTI
10.5 I I 5. I NOTE B
B.6 12.» 12.7 12.9
33F. CH H20 CH20 H
34F. CH H20 CH3 » 0
35F. CH H20 * H « CH30 H
NO RATE OATA
NO RATE OATA
NO RATE DATA
36F
36*.
37F
37K
CH N » H CHN * M
CHN H CH » N H
CH » N CN * H
CN H CH N
-224.3 C THIRD ORDER, LOU CONCENTRATIONS FORWARD
224.1 C REVERSE HIGHLY ENDOTHERHIC
-9B.9 C LOU CONCENTRATIONS FO»WA*D
9B.9 C REVERSE HIGHLY ENOOTHERMIC
36F. CH » N * H CHN * H
37F. CH » N CN » H
NO RATE OATA
NO RATE OATA
3BF
3BR
39F
39*,
CH * NO CHN » 0
CHN » 0 CH NO
CH NO CHO < N
CHO . N CH « NO
-70.2 B CONSIDER FO*WA*D FUEL RICH
70.2 C REVERSE ENOOTHERHIC
-41.6 B CONSIDER FORWARD FUEL RICH
41.6 C REVERSE ENDOTHERMIC
NO CHN » 0
39F. CH » NO CHO N
12.3 0. 0. SRI ESTIMATE
13.2 0. 10. SRI ESTIMATE
SPIN RETARDED
12.3 12.3 12.3 12.3
5.9 11.7 12.1 12.3
40F
40*
CH NO CN HO
CN HO CH NO
-51.1 C
51.1 C
FOUR-CENTER REACTION
40F. CH » NO CN * HO
NO RATE OATA
00
-------
41F. CH NO CO HN
41R. CO » HN CH NO
42F. CH < N02 CHN » 02
42R. CHN 02 CH N02
43F. CH > N02 CHO » NO
43*. CHO NO CH . N02
44F. CH N02 CN > H02
44R. CN H02 CH « N02
49F. CH N02 CO HNO
49R. CO HNO CH » N02
46F. CH » N02 C02 * HN
46R. C02 HN CH » N02
47F. CH N2 CHN N
47R. CHN » N CH » N2
4BF. CH * N2 CN » HN
4BR. CN 1 HN CH N2
49F. CH N20 CHN NO
49R. CHN » NO CH « N20
50F. CH > N20 CHO » N2
901. CHO » N2 CH N20
REACTION
9IF. CH > N20 CN HNO
91R. CN « HNO CH » N20
92F. CH » 0 M CHO « M
92R. CHO H CH » 0 > «
93F. CH . 0 CO » H
931. CO H CH » 0
94F. CH 02 CHO 0
94R. CKO 0 CH » 02
99F. CH 1 02 CO * HO
99R. CO HO CH . 02
96F. CH 02 C02 H
96R. C02 H CH 02
S7F. CHN »H"CN»H*M
97R. CN * H * M » CHN » N
91F. CHN > CHO CH20 » CN
5BR. CH20 » CN CHN CHO
99F. CHN > CH2 CH3 CN
99R. CH3 > CN - CHN CH2
60F. CHN CH20 CH30 > CN
60R. CHID » CN CHN * CH20
-101.0
101.0
-117.9
117.9
-121.0
121.0
-42.4
42.4
-194.1
194.1
-193.7
193.7
9.1
-9.1
91.6
-91.6
-109.1
109.1
-199.B
199. a
HR
-36.4
36.4
-199.7
199.7
-176.2
176.2
-73.7
73.7
-160.4
160.4
-181.6
181.6
129.4
-129.4
15.9
-39.9
12.9
-12.9
99.9
-99.9
C
c
c
c
c
c
c
c
c
c
c
c
A
B
B
C
C
C
C
NOT
C
C
C
c
B
C
B
C
C
C
c
c
c
c
c
c
B
B
C
C
FOUR-CENTER REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
LOW CONCENTRATIONS FORWARD
REVERSE HIGHLY ENOOIHERMIC
NOT LIKELY TO BE ELEMENTARY REACTION
LOU CONCENTRATIONS FORWARD
REVERSE HIGHLY ENOOTHERMIC
NOT LIKELY TO BE ELEMENTARY REACTION
A FORWARD IS LOW ENERGY N-N BREAKING
POTENT IAIY VERY IMPORTANT
SPIN RETARDED
CONSIDER BOTH DIRECTIONS
B FDUR-CENTER REACTION
B FORWARD IS MODERATE ENERGY N-N BREAKING
CONSIDER BOTH DIRECTIONS FOR SCREENING
LOW CONCENTRATIONS FORWARD
REVERSE HIGHLY ENDOTHERMIC
LOW CONCENTRATIONS FORWARD
REVERSE HIGHLY ENOOTHERMIC
COMMENTS
LOW CONCENTRATIONS BOTH DIRECTIONS
THIRD ORDERi LOW CONCENTRATIONS FORWARD
REVERSE HIGHLY ENOOTHERMIC
B CONSIDER FORWARD
REVERSE HIGHLY ENOOTHERMIC
B CONSIDER FORWARD
REVERSE ENOOTHERNIC
FOUR-CENTER REACTION
CH » 02 CHO » 0 MORE LIKELY FORWARD
REVERSE HIGHLY ENOOTHERMIC
NOT LIKELY TO BE ELEMENTARY REACTION
FORWARD HIGHLY ENDOTHERHIC
THIRD ORDER, LOW CONCENTRATIONS REVERSE
LOW CONCENTRATIONS, STERIC HINDRANCE
B CONSIDER FUEL RICH
B REVERSE POSSIBLE DURING EARLY STAGES
STERIC HINDRANCE, LOW CONCENTRATIONS
BOTH DIRECTIONS
REACTION
4LF. CH « NO CO » HH
42F. CH N02 CHN 02
43F. CH N02 CHO NO
44F. CH > N02 CN H02
43F. CH < N02 CO HNO
46F. CK I N02 C02 HN
*7F. CH » N2 CHN N
4BF. CH N2 CN » HN
49F. CH N20 CHN > NO
90F. CH * N20 CHO * N2
LOG * e c coHHciirs 300
NO RATE OATA
NO RATE DAT*
NO RATE OATA
NO RATE OATA
NO UTE OAT*
NO HATE DATA
13.3 0. 13. OHIO SRI. ESTIMATE 3-1
SPIN RETARDED
11.0 0. 19. REVISED SRI ESTIMATE -2.>
13. I D. *». ALT FROM COMB CALC -21.7
14.9 0. 92. SRI ESTIMATE -52.9
FOUR-CENTER
BASED ON EST ACTIV
ENERGY to. FOR REV
NO RATE OATA
NO RATE DATA
LOG A e C COMMENTS 300
NO RATE OATA
TEMP, KELVIN
1900 2000 2900
LOG K
11.4 11.9 12.2
a. 2 8.9 9.3
6.3 >.l 9.1
1.1 4.4 6.9
TEMP, KELVIN
1900 2000 2900
LOG K
91F. CH N20 CN « HNO
92F. CH 0 H CHO « M 16. -0.9 0. BASED ON Tl IESTI
10.9 I I 9. I NOTE B
93F. CH » 0 CU » H
94F. CH 02 CHO 0
99F. CH « 02 CO HO
96F. CH 02 C02 H
11.7 0.9 0. BASED ON Tl IESTI
10.9 I I 9. I C-0 BASED ON BB9
NOTE B
11.7 0.9 6. BASED ON Tl IESTI
10.9 I I 9. I NOTE B
NO RATE DATA
NO RATE OATA
14.B 14.4 14.3 14.3
12.9 13.3 11.4 13.4
B.6 12.4 12.7 12.9
97*. CN H M CHN M 16.9 -0.5 0. BASED ON Tl IEST)
10.9 I I 9. I NOTE B
581. CH20 CN CHN CHO 11.1 0.7 3. BASED ON Tl IJ-PI
10.9 I I 9. I NOTE B
99R. CH3 CN CHN CH2 11.0 0.7 3. BASED ON Tl IJ-PI
10.9 I I 9. I NOTE B
19.3 14.9 14.B 14.B
10.6 12.9 13.1 13.2
10.9 12.B 13.0 13.1
60F. CHN > CH20 - CH30 CN
NO RATE OATA
-------
61P. CHH CHJ - CK4 CN
61*. CH4 CN CHN CHI
6ZF. CHN * CO CHO * CN
6ZR. CHO CN CHN CO
6JF. CHN H CHZ N
6JR. CHZ » N CHN * H
64F. CHN « H CN HZ
64R. CD HZ CHH H
69F. CHN » HN CHZ NZ
65R. CHZ HZ CHN HN
66F. CHN * HNO CHZ NZO
66R. CHZ NZO CHN HNO
67F. CHN HNO CHZO N2
67R. CHZO » NZ CHN HNO
66F. CHN HO CHO HN
68R. CHO HN CHN * HO
6»F. CHN HO CHZ NO
69*. CHZ NO CHN MO
70F. CHN HO CHZO N
70». CHZO < N CHN » HO
REACTION
7IF. CHN HO CN » H20
7IR. CN HZO CHN HO
72F. CHN HOZ CHO » HNO
7». CHO HNO CHN HOZ
7>F. CHN HOZ CHZ NOZ
7JR. CHZ NOZ CNN » HOZ
T4F. CHN HOZ CHZO * NO
74R. CHZO > NO - CHN HOZ
79F. CHN » HZ CHZ » HN
79*. CHZ » HN CHN HZ
76F. CHN HZ CHJ HN
76R. CHS » HN CHN * HZ
77F. CHN HZO CHZ HNO
77R. CHZ HNO CHN > HZO
7IF. CHN » HZO CHZO HI
71*. CHZO HN CHN » HZO
79F. CHH HZO CHI NO
79R. CHJ . NO CHN HZO
60F. CHN > HZO CH30 N
OR. CHJO N CHN HZO
17. J
-17.J
101.9
-109.9
119.2
-1H. 2
17.0
-17.0
-31.3
31.3
96.6
-96.1
-gj.9
J.9
96.0
-96.0
71.4
-71.4
49.4
-49.4
HR
Z.I
-2.1
-9. a
9. a
62.1
-62. »
-42.6
42.6
146.1
-146. a
119.1
-119.1
142.0
-142.0
69. a
-a«.e
az.z
-«2.2
149. J
-14J.J
8
B
C
c
C
c
D
B
C
>
C
C
C
c
c
c
c
c
c
c
NOTCS
B
6
C
C
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
CONSIDER BOTH DIRECTIONS FUEL RICH
REVERSE TOSSIBLE DURING EARLY STAGES
FORWARD HIGHLY ENOOTHERMIC
LOU CONCENTRATIONS REVERSE
FORWARD HIGHLY ENOOTHERHIC
LOU CONCENTRATIONS REVERSE
CONSIDER BOTH DIRECTIONS FUEL RICH
LOU CONCENTRATIONS FORWARD
CONSIDER REVERSE FOR N-N BREAKING
FOUR-CENTER REACTION
LOU CONCENTRATIONS BOTH DIRECTIONS
FOUR-CENTER REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
FOUR-CENTER REACTION
FORWARD ENOOTHERNIC
LOU CONCENTRATIONS REVERSE
FOUR-CENTER REACTION
FORWARD ENOOTHERHIC
CHZ » HO CHZO N HORE LIKELY REVERSE
NOT LIKELY TO BE ELEHENTARY REACTION
COMMENTS
CONSIDER BOTH DIRECTIONS FUEL RICH
UNLIKELY TO BE ELEMENTARY REACTION
FOUR-CENTER REACTION
STERIC HINDRANCE
FOUR-CENTER REACTION
FORWARD ENDOTHE*HIC
LOU CONCENTRATIONS REVERSE
NOT LIKELY TO BE ELEHENTARY REACTION
FOUR-CENTER REACTION
C-N BONO STRONG
REVERSE HIGHLY ENDOTHERH1C
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIKELY TO 6E ELEMENTARY REACTION
STERIC HINDRANCE
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
61R. CH4 « CN > CHN > CHJ 11.9 0.7 9. BASED ON Tl IJ-PI
10.9 I I 9. I GOOD AGRMT U/B76
6ZR. CHO » CN CHN CO 11.J 0.9 0. BASED ON Tl IESTI
10.9 I I 9. I NOTE B
69F. CKN H . CH2 N
NO RATE DATA
64R. CN > H2 CHN H 12.5 D. 9. SRI ESTIMATE
69R. CHZ N2 CHN > HN 14.0 D. 70. SRI ESTIMATE
BASED ON EST ACT1V
ENERGY 40. FOR REV
66F. CHN » HNO CHZ » NZO
67F. CHN HNO CHZO « NZ
6BF. CHN 1 HO CHO HN
69F. CHN . HO CHZ . NO
70F. CHN « HO CHZO N
NO RATE DATA
NO RATE DATA
NO RATE DATA
NO RATE DATA
NO RATE DATA
71F. CHN » HO CN > HZO 11.3 0.6 5. BASED ON Tl IJ-PI
10.9 I I 9. I NOTE B
72F. CHN * HOZ CHO HNO
73F. CHN > HOZ CHZ NOZ
74F. CHN HOZ CHZO NO
79F. CHN * HZ CH2 * HN
76P. CHN » H2 CHI fr HN
77F. CHN * H20 CHZ HNO
7aF. CHN HZO CHZO HN
79F. CHN » HZO CH3 * NO
IOF. CHN HZO CHJO N
NO RATE DATA
NO RATE DATA
NO RATE DATA
NO RATE DATA
NO RATE DATA
NO RATC DATA
NO RATE DATA
NO RATE DATA
NO RATE DATA
TEMP, KELVIN
100 1900 ZOOO 2500
LOG K
9.6 13.0 13.3 1J.4
1Z.9 12.9 19.0 13.0
a.9 11.6 12.0 12.1
L/l
TEMP, KELVIN
JOD 1900 ZOOO 2900
LOG K
9.1 12.9 1Z.7 1Z.9
-------
TEMP, KELVIN
I1F.
(I*.
82F.
au.
83F.
83*.
84F.
>««.
B3F.
8SR.
86F.
B6R.
87F.
87R.
BIF.
aa>.
B9F.
89R.
10 f.
90R.
lit.
91R.
92F.
9211.
91F.
911.
94F.
94R.
9SF.
93*.
96F.
96R.
97F.
97*.
98F.
98R.
99F.
99R .
100F.
1001.
REACTION
CHN * N CN * HH
CN HN CHN N
CHN » NO CHO * N2
CHO N2 CHN NO
CN HMD CHN NO
CHN N02 CHO N20
CHO « N20 CHN N02
CHN » 0 CHO N
CHO » N CHN » 0
CHN # 0 CN » HO
CN » HO CHN 0
CHN 0 CO HN
CO » HN CHN * 0
CHN 02 CHO « NO
CHO NO CHN 02
CHN > 02 CN « H02
CN * H02 CHN » 02
CHN » 02 CO * HNO
CO HNO CHN > 02
REACTION
CHN * 02 C02 HN
C02 HN CHN 02
CHO #M»CO»H*N
CO » H H . CHO M
CHO CHO CH2 C02
CH2 C02 CHO < CHO
CHO CHO CH20 CO
CH20 CO CHO CHO
CHO » CH2 CH] CO
CH] CO CHO » CH2
CHO CH20 CHI » C02
CH) < C02 CHO » CH20
CHO CH20 CH10 » CO
CH30 CO CHO CH20
CHO CH) CH2 CH20
CH2 CH20 CHO > CH)
CHO CH) CH4 t CO
CH* « CO CHO CH)
CHO CHJO CH20 CH20
CH20 CH20 CHO > CHJO
HR
46.3
-46.5
-46.7
46.7
72.7
-72.7
-11.8
11.8
28.6
-28. 6
19.1
-19.1
-)0.8
)0.8
-3.4
1.4
73.1
-73.1
-36.6
36.6
HR
-36.2
36.2
19.6
-19.6
-17.)
17.)
-69.9
69.9
-93.0
93.0
-40.)
40.3
-5.9
5.9
23.0
-23.0
-88.6
88.6
-64.0
64.0
NOTES
C
C
C
C
C
C
C
8
8
8
8
C
C
C
C
C
C
C
C
NOTES
C
C
A
C
C
C
B *
C
8
C
C
C
C
C
8
C
8
C
C
C
COMMENTS
LOU CONCENTRATIONS BOTH DIRECTIONS
FOUR-CENTER REACTION
LOU CONCENTRATIONS FORWARD
REVERSE ENOOTHERMIC
FORWARD ENDOTHERHIC
LOU CONCENTRATIONS REVERSE
FOUR-CENTER REACTION
STERIC HINDRANCE
CONSIDER BOTH DIRECTIONS FUEL RICH
CONSIDER BOTH DIRECTIONS FUEL RICH
NOTE- CNO POSSIBLE PRODUCT REVERSE
NOT LIKELY TO 8E ELEMENTARY REACTION
FOUR-CENTER REACTION
CHN AND 02 NOT LIKELY HI SIMULTANEOUSLY
FORWARD ENOOTHERNIC
LOU CONCENTRATIONS REVERSE
NOT LIKELY TO BE ELEMENTARY REACTION
COMMENTS
NOT LIKELY TO BE ELEMENTARY REACTION
HEAK BOND FORWARD
THIRD ORDER REVERSE
FOUR-CENTER REACTION
STERIC HINDRANCE
HEAK BOND FORWARD
REVERSE ENDOTHERHIC
WEAK BOND FORWARD
REVERSE ENDOTHERNIC
NOT LIKELY TO BE ELEHENTARY REACTION
LARGE MOLECULES. LOW CONCENTRATIONS
LIKELY TO BE UNIMPORTANT
RETAIN FORUARO FOR COMPARISON KITH
CHO » CH) - CH4 CO
LOU CONCENTRATIONS REVERSE
HEAK BOND FORWARD
REVERSE ENDOTHERNIC
LARGE HOLECULESt LOW CONCENTRATIONS
LIKELY TO BE SLOW
81R. CN
82F. CHN
83R. CN
84F. CHN
85R. CHI)
86R. CN
87F. CHN
8IF. CHN
89F. CHN
90F. CHN
91F. CHN
92R. CO
93F. CHO
94F. CHO
93F. CHO
96F. CHO
97F. CHO
98R. CH2
99F. CHO
IOOF. CHO
REACTION LOG A B
. HN CHN N II. 0 0.3
10.3 1
NO CHO N2
10.3 1
N02 CHO ' N20
N CHN 0 14.0 0.
HO CHN « 0 12.5 0.
0 CO HN
« 02 CHO NO
02 CN H02
» 02 CO * HNO
REACTION LOG A B
02 C02 HN
> H . M CHO . M 20. 2 -1.5
10.5 1
CHO CH2 C02
CHO CH20 t CO 11.2 0.5
10.5 1
CH2 CH] CO 10.5 0.7
10.5 1
CH20 CH3 C02
» CH20 CH)0 » CO
CH20 CHO CH) 10.) 0.5
10.5 1
CH) CH4 CO 11.5 0.5
10.5 1
CHJO CH20 CH20
C COMMENTS
2. BASED ON Tl IESTI
1 5. 1 NOTE B
NO RATE DATA
1 5. 1 NOTE B
NO RATE DATA
0. SRI ESTIMATE
). SRI ESTIMATE
NO RATE DATA
NO RATE DATA
NO RATE DATA
NO RATE DATA
C COMMENTS
NO RATE DATA
0. EST BY METHOD OF 885
AGREES W/ EST OF Jl
NO RATE DATA
0. BASED ON Tl IEST)
1 5. 1 NOTE B
1. BASED ON Tl IJ-PI
1 5. I NOTE 8
NO RATE DATA
NO RATE DATA
6. BASED ON Tl IESTI
1 5. 1 NOTE A
0. BASED ON Tl IESTI
1 5. 1 NOTE B
NO RATE DATA
100 1500 2000 2300
LOG K
10.8 12.) 12.4 12.5
14.0 14.0 14.0 14.0
10.) 12.1 12.2 12.2
TEMP, KELVIN
300 1500 2000 2500
LOG K
16.5 13.4 15.2 15.1
12.4 12.8 12.9 12.9
11.5 12.6 12.7 12.8
7.4 11.2 11.5 11.7
12.7 D.l 13.2 13.2
-------
TEH?. KELVIN
DUCT ION
101F. CHO CH10 CM4 . C02
101*. CH4 C02 > CHO . CH10
IOZF.
102R.
103F.
101R.
104F.
104*.
105F.
ion.
106F.
106R.
107F.
I07R.
I08F.
10»«.
109F.
lot*.
UOF.
110*.
CHO CH4 CH2 ' CH10
CH2 CH30 CHO CH4
CHO CH4 CH20 CH3
CH20 CHI CHO CM*
CHO H CH2 0
CH2 » 0 CHO * H
CHO H H CH20 H
CH20 * H CHO » H * H
CHO H CO H2
CO * H2 CHO * H
CHO HI CH2 NO
CH2 NO CHO « HN
CHO » HN CH20 » N
CH20 » M CHO « HN
CHO » HN CN H20
CN + H20 CHO * HN
CHO * HNO CH2 N02
CH2 N02 CHO HNO
REACT IOH
11 IF. CHO HNO CH20 < NO
111*. CH20 « NO CHO t HNO
II2F. CHO HO CH2 * 02
1120. CH2 02 CHO HO
II IF
II1K
. CHO ' HO CH20 t 0
. CH20 0 CHO HO
1I4F. CHO HO CO H20
U4R. CO * H20 CHO HO
II5F. CHO HO C02 H2
1 15*. C02 » H2 CHO * HO
1I6F
1I6R
U7F
U7«
IUF
11»
I19P
119R
120F
120R
. CHO H02 CH20 02
. CH20 > 02 CHO H02
. CHO > H02 C02 < H20
. C02 H20 CHO * H02
. CHO H2 CH2 HO
. CH2 > HO CHO > H2
. CHO * H2 CH20 » H
. CH20 H CHO H2
. CHO » H2 CMJ 0
. CHJ 0 CHO * H2
HR NOTES
-123.0 C
121.0 C
105.7
-10J.7
la. 6
-11. 6
90.6
-90.6
-B9.J
B9.5
-8B.9
8S.9
19.4
-15.4
-10.6
10.6
-53.9
93.9
61.6
-6t.6
HR
-36. B
36. 6
74.9
-74.9
u.a
-16. a
-103. a
103. a
-110.0
110.0
-39.1
39.1
-163.1
163.1
92. a
-92. a
19.0
-19.0
B6.9
-86.5
C
C
B
a
c
B
c
c
A
c
c
c
c
c
c
c
c
c
NOUS
c
c
c
c
c
A *
A «
C
C
C
B
B
C
C
C
C
B
A
C
C
COMMENTS
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIRELV TO BE ELEHENTARr REACTION
CONSIDER BOTH DIRECTIONS FUEL RICH
FORWARD ENDOTHERMIC
CONSIDER REVERSE
THIRD ORDER FORWARD
REVERSE ENDOTHERHIC
CONSIDER FORWARD FOR CHO BREAKDOWN
REVERSE ENDOTHERMIC
FOUR-CENTER REACTION
LOU CONCENTRATIONS BOTH DIRECTIONS
LOU CONCENTRATIONS BOTH DIRECTIONS
NOT LIKELY TO BE ELEMENTARY REACTION
FOUR-CENTER REACTION
ENOOTHERMIC FORHARO
LOW CONCENTRATIONS REVERSEHO AND CH20
COMMENTS
UNIMPORTANT PATH BETHEEN CHO AND CH20
BETWEEN HNO AND NO
FOUR CENTER REACTION
CHO HO CO H20 FASTER THAN FORWARD
CH2 . 02 CH20 > 0 FASTER THAN REVERSE
CHO HO CO H20 FASTER THAN FORWARD
CONSIDER REVERSE FOR CH20 BREAKDOWN
CONSIDER FORWARD FOR CHO BREAKDOWN
REVERSE HIOHLY ENDOTHERNIC
FOUR-CENTER REACTION
CHO . HO CO H20 FASTER THAN FORWARD
REVERSE HIGHLY ENOOTHERHIC
CONSIDER BOTH DIRECTIONS
FOUR-CENTER REACTION
CHO » H02 CH20 02 FASTER THAN FWD
REVERSE HIGHLY ENDOIHERHIC
FOUR-CENTER REACTION
FORWARD ENOOTHERHIC
CH3 0 AND CH20 » 0 MORE LIKELY
PRODUCTS FROM REVERSE
CONSIDER BOTH DIRECTIONS
REVERSE MORE LIKELY TO BE IMPORTANT
CH20 BREAKDOWN
NOT LIKELY 70 BE ELEMENTARY REACTION
101F.
I02F.
I03R.
104R.
I05R.
106F.
107F.
10BF.
1D9F.
UOF.
IMF
II2F
113R
II4F
IISF
I16F
117F
11BF
1191
120F
REACTION
CHO CH30 CH4 C02
CHO CM", . CH2 CH30
CH20 CH) CHO * CH4
CH2 > U CHO H
CH20 * M CHO * H » M
CHO H - CO . H2
CHO * HN CH2 NO
CHO * HN CH20 N
CHO HN - CN * H20
CHO HNO CH2 N02
REACTION
. CHO * HNO CH20 NO
. CHO » HO CH2 * 02
. CH20 0 CKO HO
. CHO HO CO » H20
. CHO HO C02 > H2
. CHO H02 CH20 > 02
. CHO » H02 C02 > H20
. CHO H2 CH2 « HO
. CHO * H2 CH3 0
LOG A B C COMMENTS 300
NO RATE DATA
NO RATE DATA
10.0 0.5 6. BASED ON Tl IESTI 6.9
10.5 1 1 9. 1 NOTE A
11.7 0.5 4. BASED ON Tl IESTI 10.0
10.5 1 1 9. I NOTE B
IT. 5 0. «7. BASED ON Tl IESTI -45.9
10.5 1 1 3. 1 NOTE B
12.2 0.5 0. BASED ON Tl IEST) 13.4
ID. 5 1 1 5. 1 NOTE A
NO RATE DATA
NO RATE DATA
NO RATE DATA
NO RATE DATA
LOG A B C COMMENTS 300
11.9 0.9 0. BASED ON Tl (ESII 12.7
(0.9 1 1 5. 1 NOTE B
NO RATE DATA
II. 0 1. 3.5 BASED ON 022iH33,M27 10.9
10.3 1 I 2. 1 FIT HOOIF ARRHENIUS
300-2600K
10.3 1. 0. SRI ESTIHATE 13.0
NO RATE DATA
14. D 0. 3. SRI ES7IHATE 11. B
NO RATE DATA
NO RATE DATA
10.3 1 USING 0-1 FOR EKTRAP
NO DATA ABOVE 1000K
NO RATE DATA
1500 2000 2900
LOG K
10. T 11.0 11.2
12.7 12.9 13.0
4.B a.O 9.9
13.11 13.9 13.9
TEMPi KELVIN
1300 2000 2900
LOG K
13.1 13.2 11.2
13.7 13.9 1-..1
U.7 13. B 13.9
13.' 13.7 11.7
12.0 11. 1 13.2
o
-------
TEMP, KELVIN
12IF.
I2IK.
122F.
122R.
12IF.
1211.
124P.
124*.
12JF.
125R.
126F.
t26«.
127F.
12TR.
12BF.
I2BR.
I29F.
IZ9*.
110F.
110*.
1J1F.
1111.
112F.
112*.
111F.
111*.
114F.
I14R.
IHF.
115*.
116F.
lit*.
11TF.
117*.
11BF.
ua«.
IMF.
11«*.
140F.
140*.
REACTION
CHO H2 N CHID N
CH10 H CHO H2 N
CHO K20 CH2 » H02
CH2 H02 CHO < H20
CUD H20 CH20 » HO
CH20 » MO CHO H20
CHO H20 CH! 02
CH! 02 CHO H20
CHO H20 > CH10 0
CH10 « 0 CHO H20
CHO N CN HO
CN HO CIIO N
CHO « N CO HN
CO « HN CHO N
CHO NO CN HOZ
CN H02 CHO NO
CHO NO CO HNO
CO HNO CHO NO
CHO + NO C02 * HN
C02 HN CHO NO
REACTION
CHO N02 C02 HNO
C02 > HNQ CHO N02
CHO N2 CN KNO
CN HNO CHO * NZ
CHO » 0 CO + HO
CO HO CHO 0
CHO + 0 C02 H
C02 H CHO 0
CHO « 02 CO HOI
CO » H02 CHO > 02
CHO 02 C02 HO
C02 HO CHO » 02
CH2 « CH20 CH* . CO
CH4 CO CH2 CH20
CH2 > CHID CH20 > CHI
CH20 CHI CH2 CHID
CH2 CH4 CHI CHI
CH] * CHI CH2 » CH4
CH2 C02 CH20 > CO
CH20 CO CH2 . C02
HI
-6.5
6.5
l«7.t
-1*7.1
11. a
-11. a
5.7
-85.7
114.6
-11*. 6
-9.5
9.5
-59.4
59.4
76.5
-78.5
-11.2
11.2
-12.7
12.7
H*
-a5.«
85.9
119.4
-119.4
-B6.B
at. a
-107.9
107.9
-10.
10. a
-92.2
92.2
-111.*
lll.t
-87.0
87.0
-4.4
4.4
-52.7
52.7
N07ES
C
C
C
C
C
A
C
C
C
C
C
C
a
c
C
c
a
a
c
c
N07ES
C
C
c
c
A
C
a
c
a
a
c
c
c
c
c
c
a
a
c
c
COIUIEN7S
NOT LIKELY TO BE ELEMENTARY REACTION
FOUR-CENTER REACTION
FO«MA*D HIGHLY ENOOTHERNIC
CH2 « H02 CH] « 02 FAS7E* 7HAN REVERSE
CHO «H>CO«H»N FAS7E* THAN FO>MA»D
CONSIDER REVERSE FOR CH20 BREAKDOWN
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIKELY TO BE ELEHENTARY REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
CONSIDER FORWARD
REVERSE ENOOTKERNIC
NOT LIKELY TO BE ELEMENTARY REACTION
CONSIDER BOTH DIRECTIONS
PROBABLY NOT MAJOR IMPORTANCE
FOUR-CENTER REACTION
CHO NO CO HNO FASTER THAN FORWARD
REVERSE NINO*
COMMENTS
FOUR-CENTER
STE*IC HINDRANCE
NOT LIKELY TO BE ELEMENTARY REACTION
CONSIDER FORWARD FOR CHO BREAKDOWN
REVERSE ENOOTHERHIC
CONSIDER FORWARD
REVERSE HIGHLY ENOOTHERNIC
CONSIDER BOTH DIRECTIONS
FORWARD FO* CHO BREAKDOWN
REVERSE PROBABLY LESS IMPORTANT
FOUR-CENTER REACTION
CHO 02 CO H02 FASTER THAN FORWARD
REVERSE ENOOTHERHIC
NOT LIKELY TO BE ELEHENTARY REACTION
LARGE MOLECULES, LOW CONCENTRATIONS
REVERSE ENDOTHE«MIC
LIKELY TO BE UNIMPORTANT
CONSIDER BOTH DIRECTIONS FUEL RICH
MAY BE IMPORTANT EARLY STAGES
FORWARD A* UNIMPORTANT FDR CH2 0* C02
REVERSE ENDOTHERMIC
IMF. CHO
I22F. CHO
121*. CH20
124F. CHO
1I5F. CHO
126F. CHO
127F. CHO
128F. CHO
129F. CHO
110F. CHO
IMF. CHO
112F. CHO
111F. CHO
114F. CHO
115F. CHO
116F. CHO
11TF. CH2
118F. CH2
I19F. CH2
I40F. CH2
REACTION LOG A »
H2 » M CH10 * H
H20 CH2 H02
HO . CHO H20 10.5 1.
10.1 1
H20 CHI 02
H20 CHID ' 0
N CN HO
* N CO * HN 11.1 0.5
10.5 1
NO CN HOZ
» NO CO » HNO 11.1 0.5
10.5 )
> NO C02 HN
REACTION LOG A B
N02 C02 HNO
N2 CN » HNO
0 C02 H 11.5 0.
02 CO > HOZ 12.2 0.
02 - C02 > HO
CH20 CH4 CO
> CH10 CHZO CHI
CH4 CHI « CHI 12.1 0.7
10.5 1
C02 CH20 CO
C COMMENTS
NO RATE DATA
NO RATE DATA
0. BASED ON H10,P11>W2
1 1. 1 K-13.0 AT 100 IN10I
K-ll.B AT 1500 IW2I
K-U.4 AT 1600 IP11I
NO RATE DATA
NO RATE DATA
NO RATE DATA
2. BASED ON Tl IEST)
1 5. 1 NOTE B
NO RATE DATA
2. BASED ON Tl IESTI
1 5. 1 NOTE B
NO RATE DATA
C COMMENTS
NO RATE DATA
NO RATE DATA
0. SRI ESTIMATE
7. SRI ESTIMATE
NO RATE DATA
NO RATE DATA
NO RATE DATA
20. BASED ON Tl IJ-PI
1 5. 1 NOTE B
NO RATE DATA
100 1500 2000 2500
LOG K
11. D 11.7 11. B 11.9
11.1 12.6 12.7 12.
11.1 12. 6 12.7 12.8
TEMP, KELVIN
100 1500 2000 2500
LOG K
11.5 11.5 11.5 11.5
7.1 11.2 11.4 11.6
-0.7 11.4 12.2 12.7
00
-------
REACTION
141F. CH2 . H » X CHJ > M
141R. CH3 » H CK2 * H H
142F. CH2 « HH CHI N
14211. CHJ M CH2 » HN
143F. CH2 * HNO CH20 * HN
143R. CH20 HN CH2 HNO
144F. CHJ . HNO CHI NO
144R. CH3 . NO CH2 * HNO
14SF. CH2 « MNO CH10 « N
145R. CH30 » N CH2 * HNO
146P. CH2 HO CH2D H
146R. CH20 » H CH2 HO
147F. CH2 « HO CHJ « 0
I47R. CHJ . 0 CH2 HO
IMF. CHZ HO H CH10 H
14BR. CH30 » H CH2 * HO * M
14»F. CHZ > H02 CH20 HO
149D. CH20 . HO CH2 H02
150F. CH2 < H02 CHI . 02
15011. CHI » 02 CH2 H02
REACH ON
IMF. CH2 H02 CH3U 0
151R. CH3D » 0 CH2 » H02
152F. CH2 . H2 CHJ . H
152R. CHJ * H CH2 * H2
I5»F. CHJ . H2 It CH« H
153K. CH« . X CH2 H2 < H
194F. CH2 H20 CH20 H2
I9»R. CH20 H2 CH2 H20
1MR*. CHJ « HO CH2 « H20
196F. CH2 * H20 CH30 * H
196R. CK30 H - CK2 > H20
197R. CH* 0 CH2 H20
DBF. CH2 N CN H2
15BR. CN H2 CH2 N
159F. CH2 * NO CH20 » N
199R. CH20 N CH2 NO
160F. CH2 NO CH H20
160R. CN » H20 CH2 NO
HR 1
-111.5
112.5
-33.6
33.6
-52.2
52.2
-59.B
9V. 1
1.2
-1.2
-73.1
73. B
-6.2
6.2
-41.3
99.3
-114.0
114.0
-62.2
62.2
HR
-33.2
33.2
-4.1
4.1
1-112.2
112.2
-56.9
58.9
10. B
-10. B
24.0
-24.0
-9.0
-102.3
102.3
-26.0
26.0
-69.3
69. J
VOTES
C
c
C
c
c
c
c
c
c
c
B
C
e
B
C
C
c
c
B
C
NOTES
C
C
B
A
C
C
C
C
B
«
C
C
c
c
c
B
C
C
c
COWENTS
THIRD OROERi LOW CONCENTRATIONS FORWARD
REVERSE HIGHLY ENDOTHERNIC
LOU CONCENTRATIONS BOTH DIRECTIONS
CH2 » HNO * CH3 > NO HORE LIKELY FORWARD
REVERSE ENOOTHERM1C
FORWARD R> UNIHPORTANT FOR CH2 OR HNO
REVERSE ENOOTHERNIC
NOT LIKELY TO BE ELEMENTARY REACTION
CONSIDER FORWARD
REVERSE ENDOTHERHIC
CONSIDER BOTH DIRECTIONS
REVERSE FOR CH3 BREAROOWN
CH20 H OR CHS 0 HORE LIKELY PRODUCTS
REVERSE ENDOTHERHIC
CH2 > H02 CH3 02 HOIE LIKELY FORWARD
REVERSE HIGHLY ENDOTHERHIC
CONSIDER FORWARD
REVERSE ENDOTHERNIC
COHNENTS
NOT LIKELY TO BE ELEHENTARY REACTION
CONSIDER BOTH DIRECTIONS
REVERSE FOR CHS BREAKOOWN FUEL RICH
NOT LIKELY TO BE ELEHENTARV REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
NIGHT BE FOUR-CENTER STERICALLY HINDERED
CONSIDER BOTH DIRECTIONS
REVERSE FOR CH3 BREAKDOWN
NOT LIKELY TO BE ELEHENTARV REACTION
NOT LIKELY TO BE ELEHENTARY REACTION
CONSIDER FORWARD FUEL RICH
REVERSE NOT LIKELY TO BE IMPORTANT
NOT LIKELY TO BE ELEMENTARY REACTION
REACTION LOG A B C COMMENTS
141F. CHZ « H . K CHJ . H NO RATE DATA
142F. CHJ « HN CHJ > N NO RATE DATA
141F. CH2 HNO CH20 * HN NO RATE DATA
144F. CH2 HNO CH3 « NO 11. B 0.5 0. BASED ON Tl IESTI
10.3 1 1 5. 1 NOTE B
I45F. CH2 HNO CH30 N NO RATE DATA
146F. CH2 » HO CH20 * H 1J. 0. 5. ESTIMATED
NO RATE DATA
147F. CH2 HO CHI > 0 11.7 0.5 6. BASED ON Tl IESTI
10.5 1 1 5. 1 NOTE B
148F. CH2 HO « CH30 H NO RATE DATA
149F. CH2 H02 CH20 HO NO RATE DATA
150A. CHI 02 CH2 H02 12.5 D. 61.5 SRI ESTIMATE
BASED ON EST ACTIV
ENERGY 7. FOR REV
REACTION LOG A B C COMMENTS
151F. CH2 H02 CHJO 0 NO RATE DATA
I52F. CH2 HJ . CHJ H 12.) 0. 7. SRI ESTIHATE
193F. CH2 * H2 « H CH4 * M NO RATE DATA
I!»F. CH2 HJO CH20 H2 NO RATE D»TA
10.3 1 1 9. 1 NOTE A
I96F. CH2 > H20 CHJO H NO RATE DATA
15BF. CH2 + N CN H2 NO RATE DATA
160F. CH2 NO ' CN H20 NO RATE DATA
TEMP, KELVIN
300 1500 20DD 2500
LOG K
13.0 13.4 13. S 13.9
9.4 12.3 12.5 12.6
B.6 12.4 12.7 12.9
-JB.I 2.4 4.9 6.4
TEHPi KELVIN
300 1500 2000 2500
LOG K
7.4 11.5 11.7 11.9
11.1 12.7 12.9 11. 0
VO
-------
IEHP, KELVIN
100 1500 2000 2500
LOG K
161F. CHI 4 NOI CHIO 4 NO
161*. CHIO 4 NO CHI 4 NOI
162F. CH! 4 N20 CH20 4 N2
162*. CHIO Nt CH2 4 N20
16)F. CH2 4 0 4 M CH20 4 N
16>*. CHIO 4 N CHI 4 0 4 H
164F. CH2 . 0 CO 4 HI
16«*. CO 4 H2 CHI 4 0
165F. CHI 4 02 CH20 4 0
165R. CH20 4 0 CH2 4 02
166F. CHI 4 02 CO 4 H20
166R. CO 4 H20 CHI 4 01
167F. CHI 4 02 C02 4 H2
167*. CO! 4 HI CH2 4 0!
16BF. CHIO 4 N CO 4 H2 4 M
16BR. CD 4 H2 4 H . CH20 4 H
169F. CH20 4 CH20 CH* 4 CO!
169R. CH* 4 CO! CHIO 4 CHID
170F. CHIO 4 CH* CH) 4 CHIO
170R. CHI 4 CHIO CHIO 4 CH*
REACTION
171F. CHIO > H CH) . 0
171R. CH) 4 0 CHIO 4 H
17IF. CH20 4 H 4 N . CHIO 4 M
172*. CHIO 4 H CHIO 4 H 4 M
171F. CHIO 4 HN * CHI 4 NO
17)R. CH) 4 NO CH20 4 HN
17*F. CH20 4 HN CHIO 4 N
17*R. CHIO 4 N - CH20 4 HN
175F. CH20 4 HNO CH) 4 NOI
175R. CH) 4 NOI CHIO 4 HNO
176P. CHIO 4 HNO CHJO 4 NO
176R. CHJO 4 NO - CHIO 4 HNO
177P. CH20 4 HO CH) 4 02
177R. CH) 4 02 CHIO 4 HO
17BF. CH20 4 HO CHIO 4 0
17BR. CHIO 40- CK20 4 HO
179F. CH20 4 H02 CHJO 4 02
179R. CHJO 4 02 CHID 4 HOI
1BOF. CHIO 4 H2 CHI 4 HO
1BO*. CH) 4 HO CHIO 4 HI
-105.4
105.4
-140.2
140.2
-1BO.I
1B0.1
-179.5
179.5
5B.I
17l!6
-1B4.9
1B4.9
0.6
-0.6
-59.0
59.0
B2.7
-B2.7
HR
67.6
-67.6
-25.5
25.5
-7.6
7.6
51.4
-5).*
45.6
-45.6
27.2
-27.2
51. B
-51. B
BO.B
-IO.B
24.9
-24.9
69.7
-69.7
C
C
C
C
C
C
C
c
B
C
C
C
C
c
c
c
c
c
c
c
NOTES
C
A
B
B
C
C
c
B
C
C
c
c
c
B
C
B
C
B
C
C
LOW CONCENTRATIONS FORWARD
REVERSE HIGHLY ENDOTHERMIC
LOW CONCENTRATIONS FORWARD
REVERSE HIGHLY ENDOTHERNIC
THIRD ORDER FORWARD
REVERSE HIGHLY ENDOTHERMIC
NOT LIKELY TO BE ELEMENTARY *EACTION
CONSIDER FORWARD
REVERSE ENDOTHERNIC
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
FORWARD ENDOTHERNIC
LARGE MOLECULES LOW CONCENTRATIONS REV
COMMENTS
FORWARD ENDOTHERNIC
CONSIDER REVERSE FOR CH) BREAKDOWN
CONSIDER (DTK DIRECTIONS
REVERSE HAY BE INPORTANT CHIO BREAKDOWN
FOUR-CENTER. STERIC HINDRANCE
FORWARD ENDOTHERHIC
CONSIDER REVERSE FOR CHIO BREAKDOWN
PROBABLY MINOR
FOUR-CENTER! STERIC HINDRANCE
LOW CONCENTRATIONS BOTH DIRECTIONS
FORWARD ENDOTHERNIC
CONSIDER REVERSE FOR CH) BREAKDOWN
FOUR-CENTER REACTION
FORWARD ENDOTHERNIC
CONSIDER REVERSE FOR CHJO BREAKDOWN
LOW CONCENTRATIONS FORWARD
CONSIDER REVERSE FOR CHJO BREAKDOWN
FOUR-CENTER REACTION
FORWARD ENDOTHERNIC
16IF. CH2 4 NOI > CHJO 4 ND
I-62F. CH2 4 N20 CHIO 4 N2
IMP. CHI 4 0 4 M CHID 4 M
164F. CHI 4 0 CO 4 HI
165F. CHI 4 01 . CHIO 40 11.7 0.5
10.5 1
166F. CHI 4 01 CO 4 HID
167F. CHI 4 02 C02 4 H2
I6IF. CHIO 4 M CO 4 HI 4 H
169F. CHIO 4 CHIO * CH4 4 C02
170F. CH20 4 CH4 CH) 4 CHJU
REACTION LOG A B
IT1R. CHI 4 0 CH20 4 H 11.7 0.
10.) 1
172R. CH10 4 M CH20 4 H 4 H *0.6 -7.5
I7JF. CH20 4 HN CH) 4 NO
1I5F. CHIO 4 HNO CH) 4 N02
176F. CH20 4 HNO CHJO 4 NO
177*. CH) 4 02 . CHIO 4 HO D.S 0.
10.5 1
17BR. CHJO 4 0 . CHIO 4 HO 14.0 0.
I79R. CHJO 02 CH2U 4 HOI 12.0 0.
1BOF. CHIO 4 H2 CH) 4 HO
NO RATE DATA
NO RATE OATA
NO RATE OATA
NO RATE DATA
7. BASED ON Tl IESII
1 5. 1 NOTE B
NO RATE DATA
NO RATE DATA
NO RATE OATA
NO RATE DATA
NO RATE DATA
C COMMENTS
0. BASED ON D22,H2)iPl)
K-D.7 AT 100 IM25I
K-D.B AT 1500 IP1JI
K-ll.B AT 2000 10221
22.6 SRI ESTIHATE
BASED ON H1NSHELWOOD
-LINDEHAN THEORY
NO RATE OATA
0. SRI ESTIMATE
NO RATE OATA
NO RATE OATA
20. BASED ON B*5iB6*iB76
110. 1 W/ EST ACT IV ENERGY
0. SRI ESTIMATE
6. SRI ESTIHATE
NO RATE DATA
7.B 12.1 12.6 12. B
TEMPi KELVIN
)00 1500 2000 2500
LOG K
ll.T 11.7 1J.7 11.7
5.6 11.5 1J.4 U.I
-1.1 10.6 11.) 11. B
14.0 14.0 14.0 14.0
7.6 11.1 11.} 11. 5
CHI 4 HO CH* 4 0 AND
CHI 4 HO CHI 4 H20 MORE LIKELY REVERSE
-------
LOG A 8
IB1F. CH20 H2 CH10 > H
laid. CH30 * H CH20 * HZ
ia2F. CH20 H2 CH4 0
1BZR. CH4 « 0 CH2D H2
I83F. CH20 HZO CM) K02
I83R. CH) . HOZ CH20 HZO
1B4F. CH20 H20 CH30 > HO
IB4R. CH30 I HO CH20 HZO
185F. CHZO HZO CH4 02
189*. CH4 » 02 CHZO HZO
1B6F. CHZO * CN" * HZO
186R. CN * HZO CHZO * N
IB7F. CHZO » 0 CO » HZO
187*. CO > HZO CHZO 0
18SF. CH20 0 COZ HZ
iaaR. coz » HZ . CHZD o
IMF. CHZO > 02 - COZ HZO
1B9R. COZ » HZO CH20 * 02
190F. CH3 * C02 CH3U * CO
190*. CH30 » CO CH3 COZ
REACTION
191*! CH4 H . CH3 H H
19ZF. CH3 > HN CH4 N
192ft. CH4 * N CH3 * HN
193F. CH3 HMO - CH30 HN
19)11. CH30 » HN CH3 HNO
194F. CH) > MXO CH4 4 NO
194R. CH* NO CH) * HNO
199F. CH3 HO CH30 H
199«. CH30 H . CH) HO
196F. CH3 » HO CH4 » 0
196R. CH4 0 CH) * HO
197F. CH3 * HOZ CH30 * HO
J97H. CH30 « HO CH3 H02
198F. CH3 « H02 CH4 > 02
198ft. CH4 « 02 CH3 » H02
I99F. CH3 * H2 CH4 » H
199*. CH4 H CH) H2
ZOOF. CH3 HZO CH30 t HZ
ZOO*. CH30 HZ CH3 > H20
83.0
-83.0
67.9
-67.9
124.8
-124.8
97. S
-97. a
67.0
-67.0
-43.3
43.3
-120.6
120.6
-126.8
126.8
-126.0
126.0
94. 4
-34.4
H»
-loa.z
108.2
-29.2
Z9.Z
34. a
-34.8
-39.4
99.4
D.2
-D.2
-1.8
1.8
-27.0
27.0
-97.8
97. a
0.3
-0.3
28.1
-28.1
C
8
C
C
C
C
C
n
c
C
c
c
c
c
c
c
c
c
c
c
NOTES
B *
a
c
c
c
c
c
c
8
B
A
A
C
c
8
C
A
A
C
C
FORWARD ENOOTHERMIC
CONSIDER REVERSE FOft CH30 BREAKDOWN
NOT LIKELY TO BE ELEMENTARY REACTION
FOUR-CENTER, REACTION
STERIC HINDRANCE
FORWARD ENDOTHERNIC
CONSIDER REVERSE FOR CH30 BREAKDOWN
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIKELY TO BE ELEHENTARV REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
LARGE MOLECULES
LIKELY TO BE UNIMPORTANT
COMMENTS
HAY BE IMPORTANT EARLY STAGES
LOW CONCENTRATIONS
LOU CONCENTRATIONS
LOU CONCENTRATIONS FORWARD
(VERSE ENDOTHERMIC
CONSIDER BOTH DIRECTIONS FOft ROLE CH30
CONSIDER BOTH DIRECTIONS
ROLE IN INITIAL CH4 BREAKDOWN
CH3 HOZ > CH4 02 MORE LIKELY FORWARD
CH30 > HO > CH20 H20 MORE LIKELY REV
CONSIDER FORWARD
REVERSE ENDOTHERHIC
CONSIDER BOTH DIRECTIONS
ROLE IN INITIAL CH4 BREAKDOWN
HOT LIKELY TO BE ELEMENTARY REACTION
I81R. CH30
I82F. CH20
1B3F. CHZO
I84R. CH30
1B9F. CHZO
186F. CHZO
I87F. CH20
188F. CH20
189F. CH20
190F. CH)
I92F. CH3
I91F. CH)
194F. CH)
I99F. CH3
I96». CH4
I97F. CH3
I98F. CH)
199ft. CH4
ZOOF. CH3
H CHZO H2
f H2 CH4 0
> H20 CH3 H02
» HO CH20 H20
H20 CH4 » 02
» N CN « H20
0 CO HZO
0 COZ » H2
OZ COZ HZO
> COZ CH30 CO
REACTION
* HN CH4 N
. HNO CH)0 HN
» HNO CH4 NO
HO ' CH90 H
« 0 CH3 * HO
HOZ CH30 HO
HOZ CH4 . OZ
» H CH3 * H2
» H2U CH)0 H2
14.0 0. 0. SRI ESTIMATE
NO RATE DATA
NO RATE DATA
13.9 0. 0. SRI ESTIMATE
NO RATE DATA
NO RATE DATA
NO RATE DATA
NO RATE DATA
NO RATE DATA
NO RATE DATA
LOG A B C COMMENTS
10.3 1 1 2. 1 RECENT EXPERIMENT
NO RATE DATA
NO RATE DATA
11.7 0.9 0. BASED ON Tl IESTI
10.9 1 1 9. 1 NOTE B
12. B 0. 0. COMPARES W/ 199R
NO RATE DATA
13.) 0. 1. BASED ON H29
10.2 1 1 1. 1 CHIT EVAL 390-2000K
NO RATE DATA
11.0 0.9 6. BASED ON Tl IES1I
10.9 1 1 9. 1
13. B 0. 11.9 BASED ON REFS
10.3 1 1 0.31 B64«K34.SltS33
-------
201F.
201*.
202F.
202*.
203F.
203*.
20«F.
20*11 .
203F.
205*.
206P.
206*.
207F.
20T*.
20BF.
20«R.
209F.
209R.
210F.
210*.
211F.
211*.
212F.
212*.
211F.
211*.
2l»F.
214R.
215F.
219*.
216F.
216*.
21TF.
21T*.
21BF.
21B*.
219F.
219*.
220F.
220*.
CHI 4 H20 CH* » HO
CH* HO CH3 H20
CHI NO CH30 * N
CH30 4 N CHI 4 NO
CH3 N02 CH30 NO
CH30 NO CHI 4 N02
CHI N20 CH30 N2
CH10 « N2 CH3 N20
CHI « 0 » M CH30 « H
CH10 * N CH3 0 4 H
CHI 02 CH30 4 0
CH10 0 CHI » 02
CHID + H CH* 4 0
CH* > 0 CH30 H
CH30 HN CH* 4 NO
CH* 4 NO CHID 4 HN
CH10 » HNO CH* . N02
CM 4 N02 CH90 4 HNO
CH30 » HO CH* 4 02
CH* 4 02 CK3D 4 HO
EACTION
CHID 4 H2 CH* 4 HO
CH* 4 HO CH10 4 H2
CHJO 4 H20 CH* 4 H02
CH* 4 H02 CH30 4 H20
CN 4 HO CO 4 HN
CO 4 HN CN 4 HO
CN 4 H02 . CO 4 HNO
CO 4 HNO - CN 4 H02
CN 4 H02 C02 4 HN
C02 4 HN CN 4 H02
CN 4 NO CO 4 Hi
CO 4 N2 CN 4 NO
CN 4 N02 CO 4 N20
CO 4 N20 CN 4 N02
CN 4 N02 C02 4 N2
C02 4 N2 CN 4 N02
CN 4 0 CO 4 N
CO 4 N CN 4 0
CN 4 02 CO 4 NO
CO 4 NO CN 4 02
15.2
-15.2
61.0
-61.0
-1B.1
1B.1
-51.2
51.2
-91.1
93.1
29.0
-29.0
-15.1
15.1
-90.1
90.1
-3T.1
37.1
-io.a
10.1
H*
-12.9
12.9
*2.l
-»2.1
-49.9
*9.9
-111.7
111.7
-111.2
111.2
-152.6
192.6
-11T.T
117.7
-205.}
209.1
-TT.2
TT.2
-109.1
109.1
A
A
C
C
C
C
C
C
C
C
e
B
C
C
C
C
C
C
C
C
NOTES
C
C
C
C
C
C
C
C
C
C
B
C
C
C
I
»
C
B
C
CONSIDER BOTH DIRECTIONS
ROLE IN INITIAL CH4 BREAKDOWN
FORWARD ENDOTHERNIC
CH10 4 N CH20 4 HN NORE LIKELY REVERSE
LOU CONCENTRATIONS BOTH DIRECTIONS
LARGE MOLECULES STERIC HINDRANCE FORWARD
REVERSE ENOOTHERHIC
THIRD ORDER FORWARD
STABILIZATION UNLIKELY
REVERSE ENDOTHERNIC
CONSIDER BOTH DIRECTIONS
FDRNARD FOR CHI BREAKDOWN
CH10 4 H * CHID 4 H2 MORE LIKELY FORWARD
CH* 4 0 CHI « HO MORE LIKELY REVERSE
LOW CONCENTRATIONS FORWARD
REVERSE ENDOTHERMIC
LOW CONCENTRATIONS BOTH DIRECTIONS
FOUR-CENTER. STERIC HINDRANCE
FOUR-CENTER, STERIC HINDRANCE
COMMENTS
FOUR-CENTER, STERIC HINDRANCE
FOUR-CENTER. STERIC HINDRANCE
FOUR-CENTER REACTION
CN 4 HO CHN 4 0 MORE LIKELY FORWARD
REVERSE ENOOTHERM1C
FOUR-CENTER FOR NOH STRUCTURE
REVERSE HIGHLY ENOOTHERNIC
NOT LIKELY TO BE ELEMENTARY REACTION
CONSIDER FORWARD FDR NO DESTRUCTION
REVERSE HIGHLY ENOOTHERNIC
FOUR-CENTER REACTION
FOUR-CENTER, STERIC HINDRANCE
REVERSE HIGHLY ENDOTHERNIC
NOT LIKELY TO BE ELEMENTARY REACTION
CONSIDER FORWARD
REVERSE ENOOTHERHIC
FOUR-CENTER REACTION. PROBABLY SLOW
REVERSE HIGHLY ENOOTHERNIC
REACTION IOC * B
101*. CH* » HO CHI > H20 11.9 0.
(0.1 I
20 JF. CHI NO CH30 N
201F. CH] N02 CHID » NO
20»F. CH> 4 N20 CH30 < N!
20SF. CH) 0 M OHIO X
206F. CH] 4 02 CH30 4 0 12.5 0.
207F. CH10 4 H CH* 4 0
20aF. CH30 * HN CH* . NO
209F. CH10 HNO CH* ND2
210F. CH30 4 HO CM* . 02
EACTION LOO 1 >
CH10 H2 CH* 4 HO
212F. CHJO » H20 CH* . H02
21JF. CN 4 HO CO 4 I
214F. CN H02 CO HNO
219F. CN H02 C02 ' HN
216F. CN NO CO N2
2I7F. CN 4 N02 CO N20
21«F. CN N02 C02 N2
219P. CN 0 CO « N
220F. CN » 02 CO * NO
9. B«SEO ON KEFS
I 0.51 B6tiD29tS33iW31
NO RATE 0»r«
NO RATE D»I«
NO KITE DATA
NO RATE OATA
30. SRI ESTIMATE
NO HATE DATA
NO DATE bATA
NO KATE DATA
NO KATE DATA
C COMMENTS
NO KATE DATA
NO DATE DATA
NO KATE DATA
NO KATE DATA
NO KATE DATA
0. BASED ON BTB I«PT)
9. I ASSUME ACT ENERGY-0
NOTE 0
NO KATE DATA
NO KATE DATA
12. 0. 0. BASEO ON B7BtR9
(0.5 I I 5. I ASSUHE ACT ENERCY-0
NOTE 0
11.5 0. 0. BASED ON BB6 IXPTI
10.5 I 110. I UPPER LIMIT AT 29BK
ASSUME ACT ENERGV-0
NOTE 0
TEMP, KELVIN
900 1500 2000 2500
IOC K
1.1 12.B 13.0 13.1
11.5 0.
10.9 I
TEHP, KELVIN
300 1900 2000 2500
LOO K
11.9 11.9 11.9 11.5
12.0 12.0 12.0 12.0
11.5 11.5 11.5 11.5
-------
TEHPt KELVIN
221F. CN « 02 C02 N
221R. C02 » N CN » 02
222F. CO HNO C02 4 HN
222R. C02 » HN CO HNO
223F. CO 4 HO C02 H
223*. C02 H CO 4 HO
224F. CO < H02 C02 HO
224R. C02 » HO CO » H02
229F. CO H20 C02 H2
229R. C02 » H2 CO 4 H20
226F. CO NO C02 N
226R. C02 N CO » NO
227F. CO 4 N02 C02 NO
227*. C02 4 NO CO N02
22BF. CO 4 N20 * C02 4 HZ
226*. C02 4 N2 CO 4 N20
229F. CO 4 0 4 M C02 4 M
229*. C02 4 M > CO 4 0 4 N
230F. CO 4 02 > C02 4 0
230R. CD2 4 0 > CO 4 02
REACTION
23.R. H2 . K . H 4 . M
232F. H 4 HN H2 4 N
25211. HI > H H 4 HH
293F. H 4 HHO HN 4 HO
233R. HN 4 HO H 4 HNO
234F. H 4 HNO H2 4 NO
234R. H2 4 NO H 4 HNO
2I9F. H 4 HNO H20 4 N
»J9R. H20 4 N H 4 HNO
236F. H 4 HO H20 4 0
236R. H20 4 0 . H 4 HO
237F. H 4 HO 4 M H20 4 M
237R. H20 4H-H4H04H
236F. H 4 H02 HO 4 HO
238R. HO 4 HO H 4 H02
239F. H 4 H02 H2 4 02
239R. H2 4 02 H 4 H02
240F. H * H02 H20 4 0
240*. H2U 4 0 H 4 H02
-62.6
62.6
0.4
-0.4
-21.1
21.1
-61.3
61.3
-6.3
6.3
26.7
-26.7
-92.7
92.7
-67.6
67.6
-127.4
127.4
-3,4
9.4
HR
10B.4
-29.9
29.9
21.6
-21.6
-99.7
99.7
-22.8
22.8
-2.2
2.2
-123.3
123.3
-40.2
40.2
-36.1
96.1
-97.2
97.2
C
C
C
C
A
6
C
C
C
C
C
C
C
C
C
C
B
C
B
B
NOTES
C
B
B
B
B
B
C
C
C
A 4
A
A
C
B «
C
6 4
C
C
C
COMMENTS
NOT LIKELY TO BE ELEMENTARY REACTION
KNO, HN NINO* RX PARTNERS FOR CO, C02
FORWARD HMN PATH FROM CO TO C02
CONSIDER BOTH DIRECTIONS
CO HO - C02 » H HORE IMPORTANT FORWARD
HAT HAVE MINOR ROLE FORWARD
REVERSE ENDOTKERMIC
NOT LIKELY TO 6E ELEMENTARY REACTION
SPIN HINDERED
EXPERIMENT INDICATES REACTION SLOW
LOW CONCENTRATIONS FORWARD
REVERSE ENDOTHE*HIC
COi N20 NINO* REACTION PARTNERS
REVERSE ENDOTHERMIC
FORWARD TERMINATION REACTION
REVERSE HIGHLY ENOOTHERMIC
CONSIDER BOTH DIRECTIONS
PROBABLY SLOWER THAN CO HO C02 H
FORWARD TERMINATION REACTION
REVERSE HIGHLY ENOOTHERNIC
CONSIDER BOTH DIRECTIONS
CONSIDER BOTH DIRECTIONS
PROBABLY MINOR
CONSIDER FORWARD, PROBABLY NINO*
REVERSE ENDOTHERMIC
POSSIBLE FOR NOH ST*UCTU*E
PR06A6LY MINOR
CONSIDER BOTH DIRECTIONS
FORWARD TERMINATION REACTION
REVERSE HIGHLY ENOOTHERHIC
CONSIDER FORWARD FOR H02 REMOVAL
HO « HO . H20 > 0 FASTER THAN REVERSE
CONSIDER FORWARD FOR H02 REMOVAL
REVERSE CNDOIHERHIC
FORWARD PRODUCTS MORE LIKELY TO BE
HO HO OR H2 02
221F.
222F.
223F.
224F.
229R.
226R.
227F.
226F.
229R.
230F.
23m.
232F*
233F.
23*F.
233F.
236F.
2S7F.
23BF.
239F.
240F.
REACTION
CN » 02 * C02 N
CO HNO - C02 HN
CO * HO C02 * H
CO » H02 * C02 HO
C02 H2 " CO H20
C02 N CO » NO
CO « N02 C02 NO
CO N20 C02 N2
C02 *H-CO»0»M
CO t 02 C02 0
REACTION
H2«H-H«H*N
H HNO HN * HO
H HNO H2 NO
H * HNO M20 * N
H » HO H2 * 0
H HO * H . H20 » M
H » H02 > HO * HO
H H02 H2 » 02
H . H02 H20 a
LOG A B
11.0 0.9
10.5 1
7.16 1.3
11. 0.
10.9 1
9.0 0.3
10.9 1
11.3 0.9
II. 1
12.3 0.
10.3 1
11.0 0.
10.] 1
IS. 0.
10.3 1
12.3 0.
10.9 1
LOG A B
* 14.3 0.
10.3 )
10.2 1
11.3 0.3
10.3 1
1). 0.
10.2 )
9.9 1.
10.2 1
22.3 -2.
10.3 1
14.4 0.
(0.3 1
13.4 0.
<0.3 1
13.0 0.
II. 1
C COMMENTS 300
NO RATE DATA
7. BASED ON Tl IESTI 7.1
1 3. I NOTE B
0.76 BASED ON 696 9.6
FIT TO «PTL DATA
FROM 300-2000K
10. BASED ON 1.16 IEVALI 3.7
1 3. 1
IS. BASED ON Tl (ESTI -0.7
( 9. 1 NOTE B
30. BASED ON Tl -9.3
120. 1 WITH HIGHER C
SPIN HINDERED
30. BASED ON R43 -9.6
1 3. 1
20. BASED ON L9.M29 -3.6
1 3. 1 NOTE 0
100. BASED ON C26.01 -37.9
1 3. 1 COMPLEX REACTION
90. BASED ON 020,022,510 -23.9
110. 1 HI T DATA FAIR AGRNT
C COMMENTS 300
96. BASED ON BBS, N AR -39.6
1 4. 1 CRITICAL EVALUATION
1 9. 1 TRANS STATE CORLAT
23. BASED ON Tl IESTI -4.2
( 3. 1 M/ HIGHER C
NOTE B
2.3 BASED ON SI 11.2
( 2. 1 EVALUATION 200-2000K
NO RATE DATA
7. BASED ON 666 7.3
1 0.31 EVALUATION 400'2000K
0. 6ASEO ON 6661 M N2 17.3
CRIT EVAL 1000-3000K
1.9 6ASEO ON Lit 13.0
1. 1 EVALUATION JOO-1000K
0.7 6ASED ON LI6 12.9
1 1. 1 EVALUATION 300-IOOOK
1. 6ASED ON L16 12.1
1. 1 EVALUATION 300-IOOOK
1300 2000 2900
LOG K
11.6 11.9 12.1
11.2 11.4 11.9
9.9 9.9 10.1
6.4 9.0 9.4
6.9 9.7 10.4
7.9 9.0 9.7
6.1 6.6 9.3
0.4 4.1 6.3
3.2 7.0 6.1
TEMP, KELVIN
1900 2000 2900
LOG K
0.3 3.6 9.9
9.3 10.4 11.0
12.6 12.7 12.6
12.1 12.4 12.7
19.9 13.7 13.9
14.1 14.2 14.2
13.1 13.3 13.3
12.9 12.9 12.9
U>
-------
VEHPi KELVIN
241F.
241R.
242F.
242*.
243F.
243*.
244F.
244*.
245F.
245*.
246F.
246*.
247F.
247*.
24BF.
24B*.
249F.
249*.
250F.
250*.
251F.
251*.
252F.
252*.
253F.
253*.
254F.
254*.
255F.
255*.
256F.
256*.
257F.
257*.
258F.
258R.
259F.
259R.
260F.
260R.
REACTION
H H20 HO H2
HO * H2 H + H20
H*N*H-HN*H
HN«H>H*N«H
H » NO HN 0
HN * 0 H « NO
H NO M HNO M
HNO «H-H»NO«H
H * NO HO « N
HO N H NO
H N02 HN 02
HN * 02 H * N02
HNO * 0 H » N02
H . N02 HO NO
HO * NO H » N02
H > N02 H02 N
H02 » N H N02
H N2 HN N
HN * N H * N2
RUCTION
H * N20 HN * NO
HN » NO M N20
H * N20 HNO * N
HNO » N H * N20
H 1 N20 HO N2
HO N2 H + N20
H 1 0 M HO 1 H
HO»H"H*0«M
H . 02 HO 0
HO * 0 « H » 02
H 02 M H02 « M
K02 M « H > 02 M
HN * HN H2 * N2
H2 » N2 HN » HN
HN * HNO H2 * N20
H2 * N20 HN » HNO
HN * HNO H20 * N2
H20 » N2 HN HNO
HN * HO H2 * NO
H2 NO HN HO
HR
14.9
-14.9
-78.9
78.9
75.9
-75.9
-52.7
52.7
47. B
-47.B
27.9
-27.9
22.0
-22.0
-31.6
31.6
56.4
-56.4
150.5
-150.5
HR
36.2
-36.2
62.5
-62.5
-66.4
66.4
-106.3
106.3
15.7
-15.7
-50.4
50.4
-IBO.O
lao.o
-92.0
92.0
-173.3
171.3
-77.3
77.3
NOTES
A
A
C
C
C
B
C
C
B
A
C
C
C
C
B
B
C
C
C
C
NOTES
C
C
C
C
C
A
C
A
A
B
C
C
C
C
C
C
C
C
C
COMMENTS
CONSIDER BOTH DIRECTIONS
THIRD 0*OER( LOW CONCENTRATIONS FORWARD
REVERSE ENOOTHERMIC
FORWARD ENDOTHERMIC
CONSIDER REVERSE
THIRD ORDER FORWARD
REVERSE ENDOTHERMIC
CONSIDER BOTH DIRECTIONS
REVERSE PART OF MODIFIED IELDOVICH
STERIC HINDRANCE
OTHER PRODUCTS MORE LIKELY
POSSIBLE FOR NOH STRUCTURE
OTHER PRODUCTS MORE LIKELY
CONSIDER BOTH DIRECTIONS
PROBABLY UNIMPORTANT
NOT LIKELY TO BE ELEMENTARY REACTION
FORWARD HIGHLY ENOOTHERMIC
LOW CONCENTRATIONS REVERSE
COMMENTS
LOW CONCENTRATIONS REVERSE
FORWARD ENDOTHERHIC
LOW CONCENTRATIONS REVERSE
CONSIDER FORWARD
REVERSE ENOOTHERMIC
FORWARD REMOVES ACTIVE CENTERS
REVERSE HIGHLY ENDOTHERMIC
CONSIDE* BOTH DIRECTIONS
CONSIDER FORWARD
REVERSE ENDOTHERNIC
FOUR-CENTER REACTION
LOW CONCENTRATIONS FORWARD
REVERSE HIGHLY ENDOTHERNIC
FOUR-CENTER, STERIC HINDRANCE
LOW CONCENTRATIONS FORWARD
REVERSE ENDOTHERHIC
FOUR-CENTER, STERIC HINDRANCE
FOUR-CENTER REACTION
HN « HO - H20 H MORE LIKELY FORWARD
24IR.
242F.
243*.
244F.
245*.
246F.
24BF.
249F.
250*.
253F.
254F.
255R.
256F.
257F.
258F.
259F.
260F.
REACTION
HO * H2 H » H20
H»N*H>HN*H
HN « 0 H » NO
H » NO H HNO M
HO > N H > NO
H N02 HN » 02
H » N02 HO » NO
H N02 H02 N
HN » N H » N2
REACTION
H * N20 HU * N2
H*0+M-HO*M
HO * 0 H * 02
H * 02 » H H02 * H
HN * HN H2 » N2
HN HNO > H2 N20
HN * HNO H20 * N2
HN « HO H2 NO
LOG A B
13.4 0.
10.1 '
17.4 -0.5
II. 1
11. B 0.5
10.2 1
15.7 0.
10.3 1
11. B 0.5
10.3 1
10.5 1
14.5 0.
10.3 1
11. B 0.5
10.2 1
LOG A B
10.5 1
10.5 1
13.9 0.
10.2 1
15.9 0.
11. 1
13.4 0.
10.3 1
15.3 0.
10.1 1
13.0 0.
11. >
C
5.2
1 0.21
0.
1 2. 1
0.
1 5. 1
-0.6
1 0.31
0.
1 3. 1
1 5. 1
1.5
1 1. 1
0.
1 1. I
C
1 5! 1
1 5. 1
15.
1 1. 1
0.
0.
1 0.51
0.
COMMENTS
BASED ON BBa
EVALUATION 300-2500K
BASED ON Tl IESTI
AND B9I IXPTI
BASED ON B9T
TRANS STATE CORELAT
BASED ON 890, H . H2
EVALUATION 230-700K
BASED ON B97
TRANS STATE COREL
AGREES W/ REF C8 XPT
NO RATE DATA
NOTE B
BASED OW 890
EVALUATION 300-630K
NO RATE DATA
BASED ON D97
TRANS STATE CORELAI
COMMENTS
NOTE B
BASED ON Tl (EST)
NOTE B
BASED ON B90
EVALUATION TOO-2500K
BASED ON S30
LIMITED DATA
BASED ON W31
EVALUATION 300-2000K
BASED ON BBS, M . N2
EVALUATION 300-2000K
ESTIMATE OF DB
REDUCED BY 10X
NO RATE DATA
NO RATE DATA
NO RATE DATA
300 1500 2000 2500
LOG K
9.6 12.6 12. B 12.9
16.2 15. B 15.7 15.7
13.0 13.4 13.5 13.5
16.1 15. B 15. B 15.8
13.0 11.4 13.5 13.5
13.4 14.3 14.3 14.4
13.0 13.4 13.5 13.5
TEMP, KELVIN
300 1500 2000 2500
LOG K
9.8 11.9 12.0 12.1
3.0 11.7 12.3 12.6
15.9 15.9 15.9 15.9
13.4 13.4 13.4 13.4
14.6 15.2 15.2 15.2
19.0 13.0 13.0 13.0
REVERSE ENDOTHERHIC
-------
261F. HN HO H20 N
261ft. H20 N HN * HO
262F. HN H02 HNO ' HO
262R. HNO « HO HN » H02
263F. HN « H02 H2 » N02
263R* H2 » NU2 HN » H02
264F. HN H02 H20 » NO
264R. H20 NO HN * H02
265F. HN H20 HNO * H2
265R. HNO H2 HN H2D
266F. HN ».ND HNO * N
266R. HNO * N H*i *.NO
267F. HN NO MO N2
267ft. HO N2 H* * NO
26BF. HN # N02 HNO * NO
2661. HNO NO MN N02
269F. HN * N02 -HO * N20
269R. HO N20 HN « N02
270F. HN N02 H02 N2
270R. H02 * N2 HN * N02
REACTION
271F. HN N20 HNO * N2
271ft. HNO N2 HN N20
272F. HN * 0 * M HNO M
272R. HNO *M«HN*Q*M
J73F. HN 0 HO » N
2T1H. HO « N HN » 0
274F. HN 02 HNO » 0
274R. HNO > 0 HN 02
275F. HN * 02 HO 10
275R. HO * NO HN » 02
Z76F. HN 02 > H02 > N
276R. H02 N HN * 02
277F. HNO *M-HO«N*H
277R. HO » N H HNO N
27BF. HNO HNO H20 N20
278R. H20 » N2U HNO * HNO
279F. HNO HO H2 » N02
279ft. H2 N02 HNO HO
2BOF. HNO » HO H20 * NO
Z«OR. H20 NO HNO HO
-44.4
44.4
-61.8
61.1
-86. 0
86.0
-132.4
132.4
-6.7
6.7
26.2
-26.2
-102.7
102.7
-53.2
53.2
-67.8
67. B
-94.0
94.0
MR
-Bt.O
88.0
-127.9
127.9
-27.4
27.4
-5.8
5.8
-59.4
59.4
28.6
-28.6
100.5
-100.5
-85.3
85.3
-24.2
24.2
-70.6
70.6
B CONSIDER FORWARD
C REVERSE ENOOTHERHIC
C LOH CONCENTRATIONS FORWARD
C REVERSE ENOOTHEftHIC
C NOT LIKELY TO BE ELEMENTARY REACTION
C
C FOUR-CENTER REACTION, STEftIC HINDRANCE
C
C FOUR-CENTER REACTION STEftIC HINDRANCE
C NOH STRUCTURE
C LOW CONCENTftATIONS BOTH DIRECTIONS
C
C FOUR-CENTER REACTION
C LOW CONCENTftATIONS FORWARD
REVERSE HIGHLY CNOOTHERHIC
C LOW CONCENTftATIONS BOTH DIRECTIONS
C
C FOUR-CENTER REACTION, STEftIC HINDRANCE
C LOW CONCENTftATIONS FORWARD
REVERSE ENOOTHEftHIC
C NOT LIKELY TO BE ELEMENTARY REACTION
C
NOTES COMMENTS
C LOW CONCENTRATIONS FORWARD
C REVERSE ENDOtHERMIC
C THIRD ORDER FORWARD
C REVERSE HIGHLY ENOOTMERMIC
C HN » 0 H NO MORE LIKELY FORWARD
C HO N H « NO "ORE LIKELY REVERSE
8 CONSIDER BOTH DIRECTIONS
B PftOBABLV NINO*
C FOUR-CENTER REACTION
C HN * 02 HNO » 0 FASTER FORWARD
REVERSE ENDOTHERMIC
C HN » 02 HNO 0 FASTER FORWARD
C LOW CONCENTftATIONS REVERSE
C FORWARD HIGHLV ENDOTHERMIC
C THIRD ORDER REVERSE
NOH STRUCTURE
C FOUR-CENTER REACTION, STEftIC HINDRANCE
C
C FOUR-CENTER REACTION
C HNO HO H20 1 NO MORE LIKELY FORWARD
LOW CONCENTftATIONS REVERSE
B CONSIDER FORWARD
C REVERSE ENOOTKERHIC
REACTION
261F. HN HO H20 N
262F. HN H02 HNO HO
263F. HN H02 H2 N02
264F. HN H02 H20 ' NO
265F. HN > H20 HNO H2
266R. HNO N HN » NO
267F. HN « NO HO » 12
268F. HN N02 HNO NO
269F. HN N02 HO . N20
270F. HN N02 M02 » N2
11.7 0.5 2. BASED ON Tl IESTI
10.5 1 1 5. 1 NOTE B
NO KATE DATA
NO RATE DATA
NO RATE DATA
NO RATE DATA
11.0 0.5 2. BASED ON Tl IESTI
10.5 1 1 5. 1 NOTE B
NO RATE DATA
11.3 0.5 5. BASED ON Tl IESTI
10.5 1 1 5. 1 NOTE B
NO RATE DATA
NO RATE DATA
REACTION LOG A B C COMMENTS
HN * H20 HNO * H2 11.0 0.5 3. BASED ON Tl IESTI
10.5 I I 5. I NOTE 8
HN > 0 M HNO M 16.0 -0.3 0. BASEO ON Tl IESTI
10.5 I I 5. I NOTE 8
273F. HN . 0 HO N
11.5 0.5 8. BASEO ON 897
10.3 I I 3. I TRANS STATE CORELAT
HNO * 0 HN » 02 11.0 0.5 7. BASEO ON Tl IESTI
10.5 I I 5. I NOTE B
275F. HN 02 HO * NO
NO RATE DATA
H02 N HN * 02 11.0 0. 0. BASED ON K25 (XPTI
10.5 I I 5. I LOWER LIMIT AT 300K
NOTE 0
HO » N » M HNO * M 15.0 -0.5 0. BASEO ON Tl IESTI
NOTE 8
27BF. HNO HNO H20 N20
279F. HNO » HO H2 N02
NO RATE DATA
NO RATE DATA
TEMP, KELVIN
100 1500 2000 2900
IOC K
II. 5 13.0 11.1 13.2
10.8 12.3 12.4 12.5
8.9 12.2 12.4 12.6
TEMP, KELVIN
300 1500 2000 2500
LOG It
10.1 12.2 12.1 12.4
14.0 14.4 14,1 14.)
6.9 11.9 12.3 12.5
I.I 11.6 II.9 12.1
11.0 11.0 11.0 11.0
13.8 13.4 13.) 1).)
in
HNO HO H20 * NO 13.5 0. 0. 8ASEO ON B46,H39
10.5 I I 2. I
13.5 11.5 13.3 13.3
-------
(ACTION
28IF. HND * H02 H20 » N02
1B1R. Hill N02 HNO H02
2B2F. UNO N HO » N2
J«2S. HO Hi HMO 11
2B3F. HND NO HO N20
2B3R. HO » N2Q HNO NO
2«4F. HNO NO H02 « N2
2B4R. H02 N2 HNO > NO
2B3F. HNO N02 K02 N20
265R. H02 N20 HNO N02
2B6F. HNO * 0 HO + NO
266R. HO « NO NNO 0
287F. HND » 0 H02 t N
2B7R. KU2 N HNO > 0
2B8F. HND 02 HO N02
2BBR. HO N02 HNO 02
2S9F. HNO * 02 H02 NO
26911. H02 » NO HNO < 02
290F. HO HO H2 » 02
29011. H2 02 HO » HO
REACTION
291F. HO HO H20 * 0
291R. H20 » 0 HO » HO
29ZF. HO H02 > H20 ' 02
292R. H20 02 HO H02
293F. HO > N20 H02 » H2
193*. H02 » H2 HO « H20
294F. HO * NO - H02 N
294R. H02 » H HO NO
Z9SF. HO N02 * H02 » NO
295R. H02 NO HO N02
296F. HO N20 H02 t N2
296R. H02 « N2 HO N20
217F. HO 0 N H02 » H
297R. H02 «K>HO»0*H
29SF. HO 02 H02 0
291*. H02 0 HO » OJ
299F. H2 NO > H20 > N
299R. H20 N H2 » NO
300F. H2 N02 H20 NO
300ft. H20 » NO * H2 + N02
MR
-7».2
79.2
-12«.»
12B.9
-14.7
14.7
-«0.9
40.9
-6.0
6.0
-53.6
53.6
34.4
-34.4
-6.3
6.3
2. *
-2.4
-17.9
17.9
Hft
-17.0
17.0
-73.0
73.0
55.1
-55.1
BB.O
-BB.O
B.6
-B.6
-26.2
26.2
-66.1
66.1
55.9
-55.9
32.9
-32.9
-46.4
46.4
NOTES
C
C
C
C
C
C
C
C
C
C
B
C
C
C
C
C
C
C
C
C
NOTES
A
A
A
C
C
C
C
C
>
B
B
B
B
C
C
A
C
C
C
C
COMMENTS
FOUR-CENTER REACTION. STERIC HINDRANCE
LOW CONCENTRATIONS FORWARD
REVERSE HIGHLY EHDOTHERNIC
FOUR-CENTER REACTIONi STERIC HINDRANCE
FOUR-CENTER REACTIONi NOH STRUCTURE
IOH CONCENTRATIONS FORWARD
REVERSE ENDOTHERHIC
FOUR-CENTER REACTION. STERIC HINDRANCE
CONSIDER FORWARD
REVERSE ENDOTHERHIC
HNO » 0 HO NO FASTER FORWARD
LOW CONCENTRATIONS REVERSE
FOUR-CENTER REACTION, STERIC HINDRANCE
FOUR-CENTER REACTION. STERIC HINDRANCE
FOUR-CENTER REACTION
HO HO HiO 0 FASTER FORWARD
REVERSE MAy HAVE ROLE IN H2/02 IGNITION
COMMENTS
CONSIDER BOTH DIRECTIONS
CONSIDER FORWARD FOR H02 REMOVAL
REVERSE ENDOTHERHIC
FOUR-CENTER REACTION
FORWARD ENOOTHERHIC
FORWARD ENOOTHERHIC
LOW CONCENTRATIONS REVERSE
CONSIDER BOTH DIRECTIONS
REVERSE HAS BEEN CONSIDERED FOR
EARLV N02 FORMATION
CONSIDER BOTH DIRECTIONS
PROBABLY NINOR
CONSIDER FORWARD
REVERSE ENOOTHERHIC
FORWARD ENDOTHERNIC
CONSIDER REVERSE FOR H02 REHOVAL
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
REACTION
2B1F. HND H02 H20 > N02
2B2F. HNO » N HO + N2
283F. HNO NO HO * N20
2B4F. HNO « NO H02 » N2
2B5F. HNO N02 HD2 N20
2B6F. HNO 0 HO NO
287F. HNO » 0 H02 N
2BBF. HNO > 02 HO » N02
2B9F. HHO « 02 H02 NO
290R. H2 « 02 HO » HO
REACTION
291F. HO HO - H20 0
J92F. HO » H02 * H20 02
493F. HO * H20 H02 H2
294F. HO « NO H02 N
293R. H02 NO MO N02
296F. HO * N20 HD2 » N2
297F. HO « 0 M H02 M
29BR. H02 0 HO « 02
299F. H2 * NO H20 * N
300F. H2 N02 H20 « NO
LOG A B C COMMENTS
NO RATE DATA
NO RATE DATA
12.3 0. 26. BASED ON W23
10.3 1 1 5. I REEVALUATION OF
EXISTING H2-NO DATA
NO RATE DATA
NO RATE DATA
11.7 0.5 0. BASED ON Tl IESTI
ID, 5 1 1 5. I NOTE B
NO RATE DATA
NO RATE J1ATA
NO RATE DATA
12.4 0. 39. BASED ON R2 IXPTI
II. 1 110. 1 NOTE 0
LOG A B C CONHENTS
12. B 0. 1. BASED ON BB6
10.3 1 1 0.51 EVALUATION 300-2000K
13.7 0. 1. BASED ON L16
10.5 1 1 1. 1 EVALUATION 300-1000K
NO RATE DATA
NO RATE DATA
11.0 0. 3. BASED ON L16
10.3 1 1 3. 1 USING ACTIV ENERGY- 3
13.5 0. 15. ESTIMATE
NO RATE DATA
17.0 0. D. BASED ON REF B24
12. 1 NO VALID DATA IBBBI
13.7 0. 1. BASED ON L16
10.3 1 1 1. 1 LIMITED DATA
NO RATE DATA
NO RATE DATA
TEMP, KELVIN
300 1900 2000 2500
LOG K
12.9 D.J 13.4 13.4
-16.0 6.7
TEMP, KELVIN
300 1500 2000 2500
LOG K
12.1 12.7 12.7 12.7
13.0 13.6 13.6 13.6
10.t 12.6 12.7 12.7
2.6 11.3 11.9 12.2
17.0 17.0 17.0 17.0
13.0 13.6 13.6 13.6
-------
TENF. KELVIN
REACTION
JO IF. HI HID 1120 N2
901R. HID N2 HZ N20
102F. H2 0 H MIO H
5021. H20 N H2 D II
JOJF. H2 02 H20 0
1011. H20 0 H2 « 02
104F. N > N H »2 »
J04R. N2 H N N > »
J09F. N NO 12 0
101R. N2 0 N NO
106F. H NO > H H20 H
106R. N20 »H«NtNO«H
J07F. N N02 NO 10
50711. NO NO N N02
10BF. N N02 «2 « 02
JOB*. N2 OJ N N02
109F. N N02 N20 0
J09R. N20 0 N N02
JlOtl NO N2 N N20
REACTION
111*. NO H N 0 "
112F. N 02 NO » 0
M2I. HO 0 N 02
J1JF. N 02 N N02 . N
111*. N02.H'N>02«H
»I4F. NO » NO Ml 02
114A. N2 02 NO NO
1I»F. HO > NO NtO 0
»!»«. N20 . 0 «0 NO
>!»! N20 02 NO N02
JI7F. NO N20 NO* N2
3I7A. N02 N2 NO N20
HIP. NO«0»H.N02«H
)1>I. N02 M NO 0 H
II9F. HO 02 N02 0
JI9K. «02 0 NO 02
J20*. N20 " 12 0 H
m
-1.1
1.1
-121.1
III. 2
0.9
-o.»
-22t.t
211.1,
-TJ.l
79.1
-119.2
119.2
-79.*
T9.4
-122.6
122. »
-40.4
40.4
114.2
LU»>
Hft
U4.1
-12.1
12.1
-10*.
106.1
-41.2
41.2
11.9
-11.9
«.*
-14.9
14.9
-T4.7
74. T
47.1
-47.1
19.9
NOTES
C
c
C
c
c
c
c
c
0
A
C
c
B
C
c
c
c
c
c
c
NOTES
C
A
c
c
c
c
B
C
c
c
1
c
B
B
COMMENTS
NOT LIMIT TO BE ELEMENTARY REACTION
NOT LIKELY TO BE ELEMENTARY REACTION
NOT LIMIT TO BE ELEMENTARY RUCTION
THUD ORDER. LOU CONCENTRATIONS FORKARO
REVERSE HIGHLY ENDOTHEMIC
CONSIDEX BOTH OIMCTIONS
MVEDSE MKT OF IBLOOVICH NECHtNISN
THUD MOE>> LOH CONCENTBATIOHS FOUUXD
RCVEKSE HIGHLY ENOOTHERHIC
CONSIOEH FOH»»«0 ILOH CONCENTMTIONSI
MVEDSE ENOOTHE«NIC
NOT L1MLY TO BE ELEHENTHY HEACTION
N N02 NO NO WME LIMLY F0«»»«0
MVEIISE (NOOTHEBHIC
LOH CONCENTRATIONS FORUARO
REVERSE HIGHLY ENOOTHEUIC
COWKNTS
REVERSE HIGHLY ENDOTHERKIC
CONSIDER BOTH DIRECTIONS
FORWARD FART OF IEIODVICH NECHANISII
NOT LIMLY TO BE ELEHENTARY REACTION
FOUR-CENtER REACTION, SPIN HINOEREO
NO < NO - NJO . 0 FASTER I«F(RIKENTALLY
FOSSIBLY BY AT LEAST A FACTOR OF 10
CONSIDER BOTH DIRECTIONS
FORHAAO SLOW EIFEAIMNTALLY
REVERSE EVEN SLONER
CONSIDER FORKARO
REVERSE ENOOTHIRNIC
CONSIDER BDTH DIRECTIONS
FORWARD ENOOIHERHIC
CONSIDER BOTH DIRECTIONS FOR ROLE OF N20
REACTION LOG A B
101F. H2 N20 H20 . N2
102F. H2 » 0 » N H20 N
1D1F. H2 02 H20 0
104R. N2 H . N > 11 . II 21. » -l.t
ID.5 1
IOIF. N HO HI » 0 11. 2 0.
10.1 1
1D6F. N NO N N20 II
107F. N N02 NO NO 12. » D.
10.7 1
10BF. N N02 N2 » 02 12.0 0.
10.1 1
1D9F. N N02 N20 0 12.7 0.
10.1 1
110F. N*N20 NO * N2 B.T 0.
(0.5 1
REACTION LOG A B
1IU. NO*NBN*O*H 20.4 -1.9
10.5 1
112F. N 02 NO 0 9.B 1.
ID.l 1
}11F.N*U2*H* N02 » N
114F. NO . hO - N2 . 02
1IM. N20 0 NO NO 14.0 0.
ID.l 1
116F. NO » N02 N20 02 12.0 D.
II. 1
>ITF. NO N20 NOJ . N2 14.1 0.
II. 1
MM. N02 H NO > 0 H 16. D 0.
ID.l 1
1I9D. NO! 0 NO > 02 11. D 0.
ID.l 1
ID.l 1
C
229.
1 1. 1
0.
D.
1 1. 1
0.
1 1. 1
D.
1 1. 1
10.
1 9. 1
C
190.
1 9. 1
6.J
1 0.11
2B.
1 1. 1
60.
90.
49.
1 1.91
1.
1 0.91
9B.
1 1. 1
COMMENTS 100 1900 2000
LOG R
NO RATE DATA
NO RATE DATA
NO RATE DATA
BASED ON 690. H N2 -144.1 -U.I -1.1
EVALUATION
BASED ON B90 11.2 11.2 11.2
EVALUATION 100-90001
NO EVIDENCE OF IT D.O 0.0 0.0
REF SID
BASED ON F10 UFT) 12.4 12.4 12.4
ASSUME ACT ENERCYO
NOTE D
BASED ON F10 UFTI 12.0 12.0 12.0
ASSUME ACT ENERGY-0
NOTE D
BASED ON MO KFTI 12. T 12.7 12.7
ASSUME ACT ENERGY-0
NOTE D
NOTE A
TENF, MLVIN
COMMENTS 100 1900 20DO
LOG >
BASEO ON C19i U4 92.4 6*0 0.7
II UL, HI, 02
USE KITH CAUTION
BASED ON B9D T.T 12.1 12.4
EVALUATION 100-100011
NO RATE DATA
SFIN HINDERED D.D 0.0 0.0
OLD E«FERIHENTS
ACTUALLY MEASURED
NO NO N20 0
BASED ON B90 -6.4 9.9 10.9
EVAL 1200-2001
SANE RATE AS
N20 0 N2 02
NOTC A
BASEO ON F2t.HO -22.1 T.O I.B
NOTE D
BASEO ON B90i T4 -11.4 6.9 B.9
N-AR.02 I4DD-240DH
BASEO DN B90 12.1 12. f 12.9
EVALUATION JOO-600H
NO HI TENF DATA
EVAL 1100-2500K
2900
-1.9
11.2
0.0
12.6
12.0
12. T
2900
2.4
12.6
0.0
11.6
9.9
10.1
12.9
?
M
-------
JZIF. N2 > 02 N20 > 0
921*. NIO 0 N2 > 02
>2.2
-92.2
C FORMARD (NDOTHERNIC
B CONSIDER REVERSE
32JF. 0
J2JR. 02
02 «
0 M
-122.0 A FORUAAO TERN1NATION REACTION
122.0 C REVERSE HIGHLY CNDOTHCRNIC
REACT ION
921R. NZO 0 H2 » 02
>22R. 02 H . 0 1 0 M
LOG » > C CdHMENTS
l«. 0. It. BASED ON MO
10.* I I «. I EVAl 1200-2900*
SAKE RATE AS
NJO 0 MO NO
!«.» -1. lie.7 BASED ON Jt, M . AR
19.« -1. 111.7 BASED ON Jt, H 02
(0.3 I CRITICAL EVALUATION
HIDE TEMP RANGE
TEH'. RELVIN
1900 2000
LOG I
V.I 10.9
t)
M
00
-------
TECHNICAL REPORT DATA
(Please read Instructions on the reverse before completing)
REPORT NO.
EPA-600/2-76-003
4."^ITLE AND SUBTITLE
Survey and Evaluation of Kinetic Data on Reactions in
Methane/Air Combustion
3. RECIPIENT'S ACCESSION-NO.
5. REPORT DATE
January 1976
6. PERFORMING ORGANIZATION CODE
7. AUTHOR(S)
8. PERFORMING ORGANIZATION REPORT NO.
Victor S. Engleman
I. PERFORMING ORGANIZATION NAME AND ADDRESS
Exxon Research and Engineering Company
Government Research Laboratory
P.O. Box 8
Linden. New Jersey 07036
10. PROGRAM ELEMENT NO.
1AB014; ROAP 21BCC-013
11. CONTRACT/GRANT NO.
68-02-0224
12. SPONSORING AGENCY NAME AND ADDRESS
EPA, Office of Research and Development
Industrial Environmental Research Laboratory
Research Triangle Park, NC 27711
13. TYPE OF REPORT AND PERIOD COVERED
Phase; 4/73-5/75
14. SPONSORING AGENCY CODE
15. SUPPLEMENTARY NOTES
16. ABSTRACT
The report gives results of a survey and evaluation of kinetic data on the
chemical reactions involved in methane/air combustion at 1 atm pressure, 80-125%
stoichiometric air, and combustion temperatures between 1500 and 2500K. First,
a set of species commonly observed or postulated to play a role in methane/air com-
bustion was selected. Next, a computer code was developed, assembling all mathe-
matically possible unimolecular and bimolecular reactions involving those species.
The report includes information on the thermochemistry, a literature survey of
reported rate data, an evaluation of the importance of each reaction, recommenda-
tions of the best rate data from that available in the literature, and rate estimates
for potentially important reactions for which no satisfactory rate was found in the
literature. The report concludes with: a description of procedures used to calculate
the thermochemistry of methoxy*; a cross-index of all reactions involving a parti-
cular species; a master list of all reactions for an expanded number of species; and
a summary of the information on reactions in the kinetics survey.
KEY WORDS AND DOCUMENT ANALYSIS
DESCRIPTORS
b.lDENTIFIERS/OPEN ENDED TERMS C. COS AT I Field/Group
Air Pollution
Reaction Kinetics
Combustion
Nitrogen Oxides
Methane
Mathematical Models
Chemical Reactors
Thermochemistry
Chemical Reactions
Air Pollution Control
Stationary Sources
Rate Data Survey
Methane/Air Combustion
Well-Stirred Reactors
13B
07D
21B
07B
07C
12A
07A
8. DISTRIBUTION STATEMENT
Unlimited
EPA Form 2220-1 (9-73)
19. SECURITY CLASS (ThisReport)
Unclassified
,GE£
477
20. SECURITY CLASS (Thispage)
Unclassified
22. PRICE
------- |