Run Your Model in Six Steps

RUN YOUR MODEL IN SIX STEPS
0) Before we start, most worksheets have special comments in cells

to help you out. You can recognize the comments by the red, small triangle
in the upper-right hand corner like the one this cell has. Just move your pointer over
the cell to see the comment. To see all the comments, under the "View" menu, select the
"Comments" menu item
1) Click the "model" worksheet tab below and enter your reactions in
the cells provided.
2) Click the "CONTROL" worksheet tab below and click
the "Make Species Spreadsheet from Model"
3) Click the "species" worksheet tab below and edit the initial concentrations, type a "Y" in the
"Display Output ?" column for any species you wish to plot.
4) Click the "parm" worksheet tab and enter your desired simulation time in the DAYS,HOURS,
MINUTES, SECONDS cells
5) Click the "CONTROL" worksheet tab below and click
the "RUN" button. If you do not have a registration key, you will also
have to press the ENTER key three times in the KINTECUS window
(ie, click in the KINTECUS window, press ENTER three times)
6) Click the "Plot Results" button on the CONTROL worksheet. That's it!!
8) OPTIONAL: If you wish to include temperature evolution plots and reverse rate
autocalculations, type -THERM on the Kintecus Switches cell located on the CONTROL
worksheet. See the excel file "Combustion_workbook_OH.xls" as an example!
9) OPTIONAL: If you wish to FIT experimental data to a model, enter your data in the "fitdata"
worksheet, with Time(s) as the first column, first row. The species names should follow the
Time(s) heading on the same row. Place your species/temperature data under the appropriate
species column (if a species is missing data for a time point, place an N in the cell). Append a
question mark, "?", to the end of values you wish for Kintecus to regress/fit. Type the additional
switch "FIT:2:3:FITDATA.TXT" in the KINTECUS SWITCHES cell located on the CONTROL
worksheet. You can also tryFIT:1:3:FITDATA.TXT , -FIT:1:1:FITDATA.TXT and
FIT:2:1:FITDATA.TXT. Run Kintecus. You can see the "Enzyme_Regression_Fitting.xls" file as an
example!!
10) OPTIONAL: If you wish to do sensitivity analysis just use the SENSIT:1 on the command
line.
11) Prefixing the name of a worksheet with an "O_" will cause the entire worksheet to be
written out as a tab-delimited text file. This allows you to save your perturbation files,
databases, periodic tables, chemname files to be store in the Excel workbook.
See the wolfrum or the GRI-MECH Excel workbook for an an example!
12) OPTIONAL: You can calculate uncertainty bands just by adding the -conf switch on the
command line. If you are in Excel, you will automatically see these plotted!
13) There are many other interesting things you can do with your model, so please
be sure to read the Kintecus.pdf documentation!
Kintecus_Temperature_Plot
1.80E+03
1.80E+03
Temperature(K)
1.80E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.78E+03
1.78E+03
0.00E+00
5.00E-05
1.00E-04
1.50E-04
2.00E-04
Time(s)
2.50E-04
3.00E-04
3.50E-04
4.00E-04
Kintecus_Plot
9.00E-09
8.00E-09
7.00E-09
Concentration
6.00E-09
5.00E-09
4.00E-09
3.00E-09
2.00E-09
1.00E-09
0.00E+00
0.00E+00 5.00E-05 1.00E-04 1.50E-04 2.00E-04 2.50E-04 3.00E-04 3.50E-04 4.00E-04
Time(s)
O
H
H2
H2O2
CO
HCO
CH3
CH4
CH2OH
CH3OH
C2H2
C2H3
C2H4
C2H6
N2
HCCOH
NO
NO2
HNO
NNH
NCO
HOCN
H2CN
HCNO
CH2CHO
C3H8
O2
OH
HO2
CH
CH2
CH2(S)
CH2O
CO2
CH3O
C2H
HCCO
CH2CO
C2H5
H2O
C
N
N2O
NH
NH2
CN
HCN
HNCO
HCNN
NH3
CH3CHO
C3H7
Time(s)
0.00E+00
1.91E-07
3.57E-07
4.88E-07
5.94E-07
8.30E-07
1.02E-06
1.37E-06
1.64E-06
2.41E-06
3.22E-06
3.85E-06
5.47E-06
7.15E-06
9.61E-06
1.23E-05
1.60E-05
2.17E-05
2.74E-05
3.32E-05
3.89E-05
4.47E-05
5.04E-05
5.61E-05
6.19E-05
6.76E-05
7.33E-05
7.91E-05
8.48E-05
9.06E-05
9.63E-05
1.02E-04
1.08E-04
1.14E-04
1.19E-04
1.25E-04
1.31E-04
1.36E-04
1.42E-04
1.48E-04
1.54E-04
1.59E-04
1.65E-04
1.71E-04
1.77E-04
1.82E-04
1.88E-04
1.94E-04
2.00E-04
2.05E-04
2.11E-04
2.17E-04
2.23E-04
O
0.00E+00
2.11E-16
7.52E-16
1.42E-15
2.12E-15
4.20E-15
6.34E-15
1.16E-14
1.68E-14
3.70E-14
6.64E-14
9.50E-14
1.91E-13
3.24E-13
5.79E-13
9.40E-13
1.58E-12
2.95E-12
4.79E-12
7.11E-12
9.93E-12
1.32E-11
1.71E-11
2.13E-11
2.60E-11
3.11E-11
3.65E-11
4.21E-11
4.80E-11
5.41E-11
6.04E-11
6.69E-11
7.36E-11
8.05E-11
8.76E-11
9.49E-11
1.02E-10
1.10E-10
1.18E-10
1.26E-10
1.35E-10
1.43E-10
1.52E-10
1.61E-10
1.71E-10
1.80E-10
1.90E-10
2.00E-10
2.10E-10
2.20E-10
2.30E-10
2.41E-10
2.52E-10
O2
8.39E-09
8.39E-09
8.39E-09
8.39E-09
8.39E-09
8.39E-09
8.39E-09
8.39E-09
8.39E-09
8.39E-09
8.39E-09
8.39E-09
8.39E-09
8.39E-09
8.39E-09
8.39E-09
8.39E-09
8.38E-09
8.37E-09
8.36E-09
8.34E-09
8.31E-09
8.28E-09
8.24E-09
8.19E-09
8.14E-09
8.08E-09
8.01E-09
7.94E-09
7.86E-09
7.78E-09
7.69E-09
7.61E-09
7.52E-09
7.43E-09
7.34E-09
7.24E-09
7.15E-09
7.06E-09
6.97E-09
6.88E-09
6.79E-09
6.69E-09
6.60E-09
6.51E-09
6.42E-09
6.34E-09
6.25E-09
6.16E-09
6.07E-09
5.98E-09
5.90E-09
5.81E-09
H
0.00E+00
7.58E-14
1.52E-13
2.18E-13
2.74E-13
4.07E-13
5.19E-13
7.45E-13
9.31E-13
1.51E-12
2.18E-12
2.76E-12
4.54E-12
6.87E-12
1.14E-11
1.81E-11
3.07E-11
5.83E-11
9.55E-11
1.41E-10
1.93E-10
2.49E-10
3.09E-10
3.69E-10
4.28E-10
4.86E-10
5.41E-10
5.93E-10
6.42E-10
6.88E-10
7.30E-10
7.69E-10
8.05E-10
8.38E-10
8.69E-10
8.98E-10
9.25E-10
9.51E-10
9.76E-10
9.99E-10
1.02E-09
1.04E-09
1.07E-09
1.09E-09
1.11E-09
1.13E-09
1.15E-09
1.17E-09
1.19E-09
1.21E-09
1.23E-09
1.26E-09
1.28E-09
OH
0.00E+00
2.28E-16
8.15E-16
1.54E-15
2.31E-15
4.60E-15
6.99E-15
1.30E-14
1.89E-14
4.25E-14
7.82E-14
1.14E-13
2.42E-13
4.33E-13
8.37E-13
1.47E-12
2.72E-12
5.72E-12
1.01E-11
1.59E-11
2.31E-11
3.13E-11
4.05E-11
5.04E-11
6.08E-11
7.15E-11
8.24E-11
9.34E-11
1.04E-10
1.15E-10
1.26E-10
1.37E-10
1.48E-10
1.59E-10
1.70E-10
1.81E-10
1.92E-10
2.03E-10
2.14E-10
2.25E-10
2.35E-10
2.46E-10
2.57E-10
2.68E-10
2.79E-10
2.89E-10
3.00E-10
3.10E-10
3.20E-10
3.30E-10
3.40E-10
3.50E-10
3.59E-10
H2
0.00E+00
3.48E-16
1.28E-15
2.48E-15
3.76E-15
7.71E-15
1.19E-14
2.27E-14
3.38E-14
7.90E-14
1.50E-13
2.23E-13
4.97E-13
9.31E-13
1.92E-12
3.62E-12
7.32E-12
1.73E-11
3.39E-11
5.86E-11
9.27E-11
1.37E-10
1.92E-10
2.59E-10
3.38E-10
4.28E-10
5.29E-10
6.39E-10
7.58E-10
8.84E-10
1.02E-09
1.15E-09
1.29E-09
1.43E-09
1.56E-09
1.70E-09
1.83E-09
1.96E-09
2.08E-09
2.20E-09
2.31E-09
2.41E-09
2.51E-09
2.60E-09
2.68E-09
2.75E-09
2.82E-09
2.89E-09
2.94E-09
2.99E-09
3.03E-09
3.07E-09
3.10E-09
HO2
0.00E+00
1.57E-17
5.29E-17
9.56E-17
1.38E-16
2.54E-16
3.65E-16
6.15E-16
8.40E-16
1.62E-15
2.63E-15
3.55E-15
6.55E-15
1.06E-14
1.86E-14
3.03E-14
5.14E-14
9.52E-14
1.50E-13
2.14E-13
2.84E-13
3.62E-13
4.47E-13
5.38E-13
6.34E-13
7.34E-13
8.35E-13
9.35E-13
1.03E-12
1.12E-12
1.20E-12
1.27E-12
1.34E-12
1.39E-12
1.42E-12
1.45E-12
1.46E-12
1.47E-12
1.47E-12
1.45E-12
1.43E-12
1.41E-12
1.38E-12
1.34E-12
1.30E-12
1.26E-12
1.22E-12
1.18E-12
1.14E-12
1.09E-12
1.05E-12
1.02E-12
9.78E-13
H2O2
0.00E+00
2.64E-28
5.84E-27
2.66E-26
6.83E-26
3.32E-25
8.50E-25
3.31E-24
7.45E-24
4.10E-23
1.43E-22
3.08E-22
1.40E-21
4.49E-21
1.67E-20
5.14E-20
1.75E-19
7.57E-19
2.33E-18
5.75E-18
1.21E-17
2.24E-17
3.79E-17
5.94E-17
8.75E-17
1.23E-16
1.64E-16
2.12E-16
2.65E-16
3.22E-16
3.81E-16
4.43E-16
5.05E-16
5.67E-16
6.29E-16
6.90E-16
7.51E-16
8.10E-16
8.69E-16
9.28E-16
9.86E-16
1.04E-15
1.10E-15
1.16E-15
1.22E-15
1.28E-15
1.34E-15
1.41E-15
1.47E-15
1.53E-15
1.59E-15
1.66E-15
1.72E-15
CH
0.00E+00
8.41E-19
2.86E-18
5.21E-18
7.56E-18
1.41E-17
2.04E-17
3.47E-17
4.75E-17
9.05E-17
1.43E-16
1.89E-16
3.28E-16
5.35E-16
1.12E-15
2.67E-15
8.24E-15
3.53E-14
1.08E-13
2.55E-13
5.00E-13
8.54E-13
1.31E-12
1.84E-12
2.41E-12
3.00E-12
3.56E-12
4.09E-12
4.56E-12
4.97E-12
5.31E-12
5.58E-12
5.78E-12
5.93E-12
6.03E-12
6.09E-12
6.12E-12
6.12E-12
6.09E-12
6.06E-12
6.01E-12
5.96E-12
5.91E-12
5.86E-12
5.82E-12
5.78E-12
5.75E-12
5.73E-12
5.71E-12
5.69E-12
5.68E-12
5.66E-12
5.65E-12
2.28E-04
2.34E-04
2.40E-04
2.45E-04
2.51E-04
2.57E-04
2.63E-04
2.68E-04
2.74E-04
2.95E-04
3.50E-04
2.62E-10
2.73E-10
2.85E-10
2.96E-10
3.07E-10
3.19E-10
3.31E-10
3.43E-10
3.55E-10
4.03E-10
5.48E-10
5.73E-09
5.64E-09
5.56E-09
5.47E-09
5.39E-09
5.31E-09
5.23E-09
5.15E-09
5.07E-09
4.79E-09
4.16E-09
1.30E-09
1.32E-09
1.35E-09
1.37E-09
1.39E-09
1.42E-09
1.44E-09
1.46E-09
1.49E-09
1.58E-09
1.82E-09
3.68E-10
3.77E-10
3.86E-10
3.94E-10
4.02E-10
4.10E-10
4.18E-10
4.25E-10
4.33E-10
4.60E-10
5.26E-10
3.13E-09
3.15E-09
3.16E-09
3.18E-09
3.18E-09
3.19E-09
3.19E-09
3.19E-09
3.18E-09
3.13E-09
2.84E-09
9.42E-13
9.07E-13
8.75E-13
8.44E-13
8.14E-13
7.87E-13
7.60E-13
7.35E-13
7.11E-13
6.32E-13
4.82E-13
1.78E-15
1.85E-15
1.91E-15
1.97E-15
2.03E-15
2.09E-15
2.15E-15
2.21E-15
2.27E-15
2.49E-15
3.08E-15
5.63E-12
5.61E-12
5.58E-12
5.54E-12
5.49E-12
5.43E-12
5.35E-12
5.26E-12
5.16E-12
4.66E-12
2.78E-12
CO
0.00E+00
3.02E-20
3.12E-19
1.00E-18
2.09E-18
7.33E-18
1.57E-17
4.83E-17
9.60E-17
4.21E-16
1.28E-15
2.55E-15
9.90E-15
2.77E-14
8.61E-14
2.20E-13
5.99E-13
1.94E-12
4.78E-12
9.97E-12
1.85E-11
3.15E-11
5.00E-11
7.52E-11
1.08E-10
1.49E-10
1.98E-10
2.55E-10
3.21E-10
3.94E-10
4.75E-10
5.61E-10
6.53E-10
7.50E-10
8.49E-10
9.52E-10
1.06E-09
1.16E-09
1.27E-09
1.37E-09
1.48E-09
1.58E-09
1.69E-09
1.79E-09
1.89E-09
1.99E-09
2.09E-09
2.19E-09
2.28E-09
2.38E-09
2.47E-09
2.56E-09
2.65E-09
CH2
0.00E+00
3.25E-18
2.04E-17
5.14E-17
9.21E-17
2.49E-16
4.53E-16
1.10E-15
1.87E-15
5.87E-15
1.37E-14
2.31E-14
6.39E-14
1.37E-13
3.14E-13
6.19E-13
1.26E-12
2.83E-12
5.11E-12
8.01E-12
1.13E-11
1.48E-11
1.82E-11
2.14E-11
2.43E-11
2.67E-11
2.86E-11
3.01E-11
3.11E-11
3.18E-11
3.21E-11
3.21E-11
3.19E-11
3.15E-11
3.09E-11
3.02E-11
2.95E-11
2.86E-11
2.78E-11
2.70E-11
2.62E-11
2.54E-11
2.46E-11
2.39E-11
2.32E-11
2.26E-11
2.20E-11
2.15E-11
2.10E-11
2.05E-11
2.01E-11
1.96E-11
1.92E-11
HCO
0.00E+00
2.30E-20
1.19E-19
2.58E-19
4.12E-19
8.86E-19
1.38E-18
2.61E-18
3.79E-18
8.34E-18
1.50E-17
2.18E-17
4.79E-17
9.45E-17
2.28E-16
5.38E-16
1.51E-15
5.70E-15
1.64E-14
3.82E-14
7.59E-14
1.33E-13
2.12E-13
3.12E-13
4.29E-13
5.61E-13
7.00E-13
8.42E-13
9.79E-13
1.11E-12
1.23E-12
1.33E-12
1.41E-12
1.48E-12
1.53E-12
1.56E-12
1.58E-12
1.58E-12
1.57E-12
1.55E-12
1.52E-12
1.49E-12
1.45E-12
1.40E-12
1.35E-12
1.30E-12
1.25E-12
1.20E-12
1.15E-12
1.10E-12
1.06E-12
1.01E-12
9.68E-13
CH2(S)
0.00E+00
4.52E-19
2.04E-18
4.39E-18
7.17E-18
1.68E-17
2.84E-17
6.21E-17
1.01E-16
2.88E-16
6.38E-16
1.05E-15
2.77E-15
5.80E-15
1.31E-14
2.55E-14
5.16E-14
1.16E-13
2.09E-13
3.27E-13
4.63E-13
6.07E-13
7.49E-13
8.82E-13
1.00E-12
1.10E-12
1.18E-12
1.24E-12
1.29E-12
1.31E-12
1.33E-12
1.33E-12
1.32E-12
1.30E-12
1.27E-12
1.24E-12
1.21E-12
1.18E-12
1.14E-12
1.11E-12
1.07E-12
1.04E-12
1.01E-12
9.76E-13
9.48E-13
9.22E-13
8.97E-13
8.75E-13
8.54E-13
8.35E-13
8.16E-13
7.99E-13
7.81E-13
CH3
0.00E+00
2.29E-11
4.28E-11
5.84E-11
7.10E-11
9.88E-11
1.21E-10
1.61E-10
1.93E-10
2.80E-10
3.70E-10
4.38E-10
6.08E-10
7.74E-10
1.00E-09
1.23E-09
1.50E-09
1.86E-09
2.13E-09
2.33E-09
2.46E-09
2.53E-09
2.55E-09
2.54E-09
2.49E-09
2.41E-09
2.31E-09
2.20E-09
2.07E-09
1.94E-09
1.81E-09
1.67E-09
1.54E-09
1.41E-09
1.29E-09
1.17E-09
1.06E-09
9.58E-10
8.62E-10
7.73E-10
6.92E-10
6.17E-10
5.50E-10
4.89E-10
4.34E-10
3.85E-10
3.41E-10
3.03E-10
2.68E-10
2.38E-10
2.12E-10
1.88E-10
1.68E-10
CH2O
0.00E+00
1.95E-16
7.61E-16
1.49E-15
2.26E-15
4.56E-15
6.93E-15
1.28E-14
1.85E-14
4.06E-14
7.30E-14
1.05E-13
2.15E-13
3.73E-13
6.97E-13
1.20E-12
2.18E-12
4.65E-12
8.60E-12
1.44E-11
2.24E-11
3.26E-11
4.48E-11
5.88E-11
7.39E-11
8.95E-11
1.05E-10
1.19E-10
1.32E-10
1.44E-10
1.53E-10
1.60E-10
1.64E-10
1.66E-10
1.67E-10
1.65E-10
1.62E-10
1.57E-10
1.52E-10
1.45E-10
1.38E-10
1.30E-10
1.22E-10
1.14E-10
1.07E-10
9.88E-11
9.12E-11
8.40E-11
7.71E-11
7.07E-11
6.47E-11
5.92E-11
5.41E-11
CH4
0.00E+00
7.69E-16
2.70E-15
5.04E-15
7.46E-15
1.45E-14
2.17E-14
3.93E-14
5.62E-14
1.21E-13
2.15E-13
3.06E-13
6.14E-13
1.04E-12
1.86E-12
3.01E-12
5.05E-12
9.35E-12
1.52E-11
2.27E-11
3.21E-11
4.33E-11
5.64E-11
7.11E-11
8.71E-11
1.04E-10
1.22E-10
1.39E-10
1.56E-10
1.73E-10
1.88E-10
2.03E-10
2.15E-10
2.26E-10
2.36E-10
2.43E-10
2.49E-10
2.52E-10
2.55E-10
2.55E-10
2.54E-10
2.52E-10
2.49E-10
2.44E-10
2.39E-10
2.32E-10
2.25E-10
2.18E-10
2.10E-10
2.01E-10
1.93E-10
1.84E-10
1.75E-10
CO2
0.00E+00
5.14E-21
5.93E-20
2.03E-19
4.42E-19
1.66E-18
3.70E-18
1.20E-17
2.47E-17
1.14E-16
3.58E-16
7.22E-16
2.87E-15
8.09E-15
2.52E-14
6.42E-14
1.72E-13
5.35E-13
1.25E-12
2.44E-12
4.20E-12
6.57E-12
9.56E-12
1.32E-11
1.73E-11
2.18E-11
2.68E-11
3.20E-11
3.73E-11
4.29E-11
4.84E-11
5.40E-11
5.96E-11
6.51E-11
7.05E-11
7.58E-11
8.11E-11
8.62E-11
9.12E-11
9.62E-11
1.01E-10
1.06E-10
1.11E-10
1.15E-10
1.20E-10
1.25E-10
1.29E-10
1.34E-10
1.39E-10
1.44E-10
1.48E-10
1.53E-10
1.58E-10
CH2OH
0.00E+00
3.16E-22
3.59E-21
1.18E-20
2.47E-20
8.52E-20
1.78E-19
5.14E-19
9.71E-19
3.67E-18
9.69E-18
1.75E-17
5.51E-17
1.30E-16
3.37E-16
7.41E-16
1.71E-15
4.53E-15
9.32E-15
1.62E-14
2.51E-14
3.56E-14
4.72E-14
5.92E-14
7.11E-14
8.24E-14
9.28E-14
1.02E-13
1.09E-13
1.15E-13
1.19E-13
1.22E-13
1.23E-13
1.22E-13
1.21E-13
1.18E-13
1.15E-13
1.10E-13
1.05E-13
1.00E-13
9.46E-14
8.89E-14
8.31E-14
7.73E-14
7.17E-14
6.63E-14
6.11E-14
5.62E-14
5.15E-14
4.72E-14
4.33E-14
3.96E-14
3.63E-14
2.74E-09 1.88E-11
2.82E-09 1.84E-11
2.91E-09 1.79E-11
2.99E-09 1.74E-11
3.07E-09 1.69E-11
3.15E-09 1.64E-11
3.22E-09 1.59E-11
3.30E-09 1.53E-11
3.37E-09 1.48E-11
3.61E-09 1.24E-11
4.05E-09 6.32E-12
9.26E-13
8.85E-13
8.47E-13
8.10E-13
7.75E-13
7.40E-13
7.08E-13
6.76E-13
6.44E-13
5.35E-13
2.84E-13
7.64E-13
7.46E-13
7.28E-13
7.09E-13
6.90E-13
6.69E-13
6.48E-13
6.26E-13
6.02E-13
5.10E-13
2.62E-13
1.50E-10 4.94E-11
1.34E-10 4.52E-11
1.21E-10 4.14E-11
1.09E-10 3.79E-11
9.80E-11 3.48E-11
8.86E-11 3.20E-11
8.03E-11 2.94E-11
7.28E-11 2.71E-11
6.62E-11 2.51E-11
4.67E-11 1.88E-11
1.81E-11 8.61E-12
1.66E-10
1.58E-10
1.49E-10
1.41E-10
1.32E-10
1.24E-10
1.17E-10
1.09E-10
1.02E-10
7.80E-11
3.49E-11
1.63E-10
1.68E-10
1.73E-10
1.78E-10
1.83E-10
1.89E-10
1.94E-10
1.99E-10
2.05E-10
2.25E-10
2.80E-10
3.32E-14
3.05E-14
2.80E-14
2.57E-14
2.37E-14
2.18E-14
2.01E-14
1.86E-14
1.72E-14
1.29E-14
5.80E-15
CH3O
0.00E+00
7.22E-17
1.77E-16
2.63E-16
3.34E-16
4.91E-16
6.13E-16
8.43E-16
1.02E-15
1.51E-15
2.02E-15
2.40E-15
3.36E-15
4.31E-15
5.62E-15
6.95E-15
8.63E-15
1.10E-14
1.30E-14
1.48E-14
1.63E-14
1.76E-14
1.87E-14
1.95E-14
2.02E-14
2.07E-14
2.09E-14
2.10E-14
2.08E-14
2.04E-14
1.99E-14
1.91E-14
1.83E-14
1.73E-14
1.62E-14
1.51E-14
1.40E-14
1.28E-14
1.17E-14
1.07E-14
9.65E-15
8.69E-15
7.80E-15
6.98E-15
6.23E-15
5.55E-15
4.94E-15
4.39E-15
3.90E-15
3.46E-15
3.08E-15
2.73E-15
2.43E-15
CH3OH
0.00E+00
1.09E-22
1.36E-21
4.81E-21
1.06E-20
4.10E-20
9.29E-20
3.10E-19
6.45E-19
3.11E-18
1.01E-17
2.08E-17
8.72E-17
2.59E-16
8.67E-16
2.38E-15
6.97E-15
2.46E-14
6.34E-14
1.34E-13
2.43E-13
3.97E-13
5.94E-13
8.26E-13
1.08E-12
1.36E-12
1.62E-12
1.88E-12
2.10E-12
2.30E-12
2.45E-12
2.56E-12
2.62E-12
2.65E-12
2.64E-12
2.59E-12
2.52E-12
2.43E-12
2.31E-12
2.19E-12
2.05E-12
1.91E-12
1.77E-12
1.63E-12
1.49E-12
1.36E-12
1.23E-12
1.11E-12
1.00E-12
8.98E-13
8.04E-13
7.18E-13
6.41E-13
C2H
0.00E+00
2.51E-28
5.10E-27
2.36E-26
6.23E-26
3.30E-25
9.06E-25
4.04E-24
1.00E-23
7.04E-23
3.04E-22
7.57E-22
4.70E-21
1.96E-20
1.02E-19
4.30E-19
2.17E-18
1.65E-17
8.54E-17
3.40E-16
1.10E-15
3.03E-15
7.24E-15
1.53E-14
2.93E-14
5.14E-14
8.37E-14
1.28E-13
1.85E-13
2.56E-13
3.39E-13
4.34E-13
5.40E-13
6.54E-13
7.75E-13
9.00E-13
1.03E-12
1.16E-12
1.28E-12
1.41E-12
1.53E-12
1.64E-12
1.75E-12
1.85E-12
1.95E-12
2.03E-12
2.11E-12
2.17E-12
2.23E-12
2.27E-12
2.30E-12
2.32E-12
2.33E-12
C2H2
0.00E+00
2.51E-19
1.58E-18
3.92E-18
6.90E-18
1.79E-17
3.15E-17
7.18E-17
1.18E-16
3.35E-16
7.25E-16
1.17E-15
3.04E-15
6.42E-15
1.53E-14
3.33E-14
8.11E-14
2.58E-13
6.86E-13
1.59E-12
3.29E-12
6.20E-12
1.08E-11
1.74E-11
2.64E-11
3.81E-11
5.25E-11
6.95E-11
8.91E-11
1.11E-10
1.34E-10
1.59E-10
1.85E-10
2.12E-10
2.38E-10
2.64E-10
2.89E-10
3.14E-10
3.36E-10
3.57E-10
3.77E-10
3.94E-10
4.08E-10
4.21E-10
4.31E-10
4.39E-10
4.44E-10
4.47E-10
4.48E-10
4.46E-10
4.42E-10
4.37E-10
4.29E-10
HCCO
0.00E+00
4.29E-29
1.82E-27
1.17E-26
3.73E-26
2.69E-25
8.79E-25
4.98E-24
1.42E-23
1.32E-22
6.87E-22
1.90E-21
1.40E-20
6.47E-20
3.61E-19
1.58E-18
8.04E-18
6.09E-17
3.14E-16
1.24E-15
4.05E-15
1.12E-14
2.71E-14
5.86E-14
1.15E-13
2.06E-13
3.45E-13
5.43E-13
8.08E-13
1.15E-12
1.57E-12
2.07E-12
2.65E-12
3.31E-12
4.04E-12
4.83E-12
5.68E-12
6.57E-12
7.49E-12
8.43E-12
9.38E-12
1.03E-11
1.13E-11
1.22E-11
1.30E-11
1.38E-11
1.46E-11
1.53E-11
1.59E-11
1.64E-11
1.68E-11
1.71E-11
1.73E-11
C2H3
0.00E+00
2.04E-21
1.57E-20
4.41E-20
8.44E-20
2.56E-19
4.98E-19
1.32E-18
2.35E-18
7.97E-18
1.94E-17
3.35E-17
9.95E-17
2.35E-16
6.53E-16
1.64E-15
4.69E-15
1.74E-14
4.87E-14
1.11E-13
2.16E-13
3.72E-13
5.81E-13
8.39E-13
1.14E-12
1.46E-12
1.79E-12
2.12E-12
2.43E-12
2.72E-12
2.97E-12
3.18E-12
3.36E-12
3.49E-12
3.58E-12
3.63E-12
3.66E-12
3.65E-12
3.61E-12
3.56E-12
3.48E-12
3.39E-12
3.28E-12
3.16E-12
3.04E-12
2.91E-12
2.77E-12
2.64E-12
2.50E-12
2.36E-12
2.22E-12
2.08E-12
1.95E-12
CH2CO
0.00E+00
6.83E-25
1.58E-23
7.46E-23
1.96E-22
1.01E-21
2.66E-21
1.09E-20
2.55E-20
1.51E-19
5.55E-19
1.23E-18
5.91E-18
1.97E-17
7.78E-17
2.55E-16
9.44E-16
4.68E-15
1.65E-14
4.61E-14
1.10E-13
2.29E-13
4.34E-13
7.57E-13
1.23E-12
1.89E-12
2.74E-12
3.81E-12
5.08E-12
6.55E-12
8.19E-12
9.97E-12
1.19E-11
1.38E-11
1.58E-11
1.78E-11
1.97E-11
2.15E-11
2.33E-11
2.50E-11
2.65E-11
2.79E-11
2.91E-11
3.02E-11
3.11E-11
3.18E-11
3.24E-11
3.28E-11
3.30E-11
3.31E-11
3.31E-11
3.28E-11
3.25E-11
C2H4
0.00E+00
7.44E-15
2.47E-14
4.44E-14
6.36E-14
1.16E-13
1.65E-13
2.75E-13
3.71E-13
6.98E-13
1.11E-12
1.49E-12
2.70E-12
4.37E-12
7.75E-12
1.29E-11
2.30E-11
4.64E-11
7.99E-11
1.23E-10
1.74E-10
2.31E-10
2.92E-10
3.53E-10
4.14E-10
4.70E-10
5.21E-10
5.66E-10
6.03E-10
6.32E-10
6.53E-10
6.67E-10
6.73E-10
6.73E-10
6.67E-10
6.56E-10
6.41E-10
6.23E-10
6.01E-10
5.77E-10
5.52E-10
5.25E-10
4.98E-10
4.70E-10
4.42E-10
4.14E-10
3.87E-10
3.61E-10
3.35E-10
3.10E-10
2.87E-10
2.64E-10
2.43E-10
C2H5
0.00E+00
6.25E-14
1.08E-13
1.39E-13
1.62E-13
2.05E-13
2.34E-13
2.80E-13
3.11E-13
3.88E-13
4.65E-13
5.28E-13
7.14E-13
9.43E-13
1.35E-12
1.86E-12
2.66E-12
4.00E-12
5.32E-12
6.47E-12
7.36E-12
7.96E-12
8.26E-12
8.28E-12
8.08E-12
7.69E-12
7.18E-12
6.57E-12
5.93E-12
5.27E-12
4.63E-12
4.02E-12
3.46E-12
2.95E-12
2.49E-12
2.09E-12
1.74E-12
1.44E-12
1.18E-12
9.63E-13
7.82E-13
6.32E-13
5.08E-13
4.07E-13
3.25E-13
2.59E-13
2.06E-13
1.63E-13
1.30E-13
1.03E-13
8.18E-14
6.52E-14
5.22E-14
2.17E-15
1.94E-15
1.73E-15
1.55E-15
1.39E-15
1.26E-15
1.13E-15
1.02E-15
9.26E-16
6.47E-16
2.54E-16
5.72E-13
5.10E-13
4.55E-13
4.06E-13
3.63E-13
3.25E-13
2.91E-13
2.61E-13
2.35E-13
1.61E-13
6.01E-14
2.33E-12
2.32E-12
2.30E-12
2.27E-12
2.23E-12
2.18E-12
2.12E-12
2.06E-12
1.99E-12
1.69E-12
8.68E-13
4.20E-10 1.75E-11
4.10E-10 1.75E-11
3.97E-10 1.74E-11
3.84E-10 1.73E-11
3.70E-10 1.71E-11
3.55E-10 1.68E-11
3.39E-10 1.64E-11
3.23E-10 1.59E-11
3.06E-10 1.54E-11
2.43E-10 1.32E-11
1.05E-10 6.79E-12
1.82E-12
1.70E-12
1.57E-12
1.46E-12
1.35E-12
1.24E-12
1.14E-12
1.04E-12
9.53E-13
6.66E-13
2.18E-13
3.20E-11
3.14E-11
3.08E-11
3.00E-11
2.91E-11
2.81E-11
2.71E-11
2.60E-11
2.49E-11
2.06E-11
1.03E-11
2.22E-10
2.03E-10
1.85E-10
1.69E-10
1.53E-10
1.38E-10
1.25E-10
1.13E-10
1.01E-10
6.65E-11
1.89E-11
4.20E-14
3.39E-14
2.76E-14
2.26E-14
1.86E-14
1.55E-14
1.29E-14
1.09E-14
9.17E-15
5.11E-15
1.19E-15
C2H6
2.35E-09
2.33E-09
2.32E-09
2.32E-09
2.31E-09
2.30E-09
2.29E-09
2.26E-09
2.25E-09
2.20E-09
2.16E-09
2.13E-09
2.04E-09
1.95E-09
1.83E-09
1.71E-09
1.56E-09
1.36E-09
1.18E-09
1.02E-09
8.88E-10
7.70E-10
6.66E-10
5.75E-10
4.94E-10
4.24E-10
3.61E-10
3.07E-10
2.59E-10
2.18E-10
1.82E-10
1.52E-10
1.25E-10
1.03E-10
8.45E-11
6.88E-11
5.57E-11
4.49E-11
3.60E-11
2.87E-11
2.27E-11
1.79E-11
1.40E-11
1.10E-11
8.52E-12
6.58E-12
5.07E-12
3.89E-12
2.97E-12
2.26E-12
1.72E-12
1.30E-12
9.87E-13
H2O
0.00E+00
7.45E-19
5.00E-18
1.29E-17
2.36E-17
6.56E-17
1.22E-16
3.06E-16
5.36E-16
1.79E-15
4.45E-15
7.83E-15
2.41E-14
5.73E-14
1.52E-13
3.47E-13
8.50E-13
2.49E-12
5.73E-12
1.12E-11
1.96E-11
3.13E-11
4.67E-11
6.60E-11
8.91E-11
1.16E-10
1.47E-10
1.80E-10
2.17E-10
2.56E-10
2.98E-10
3.42E-10
3.88E-10
4.35E-10
4.83E-10
5.33E-10
5.84E-10
6.35E-10
6.87E-10
7.40E-10
7.94E-10
8.48E-10
9.03E-10
9.58E-10
1.01E-09
1.07E-09
1.13E-09
1.18E-09
1.24E-09
1.30E-09
1.36E-09
1.41E-09
1.47E-09
N2
0.00E+00
8.58E-55
1.16E-54
1.32E-54
1.48E-54
1.67E-54
1.84E-54
2.04E-54
2.23E-54
2.43E-54
2.63E-54
2.83E-54
3.03E-54
3.23E-54
3.43E-54
3.63E-54
3.83E-54
4.03E-54
4.23E-54
4.43E-54
4.63E-54
4.83E-54
5.03E-54
5.23E-54
5.43E-54
5.63E-54
5.83E-54
6.03E-54
6.23E-54
6.43E-54
6.63E-54
6.83E-54
7.03E-54
7.24E-54
7.44E-54
7.64E-54
7.84E-54
8.04E-54
8.24E-54
8.44E-54
8.64E-54
8.84E-54
9.04E-54
9.24E-54
9.45E-54
9.65E-54
9.85E-54
1.00E-53
1.02E-53
1.05E-53
1.07E-53
1.09E-53
1.11E-53
AR
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
C
0.00E+00
4.89E-25
6.14E-24
2.16E-23
4.76E-23
1.82E-22
4.05E-22
1.30E-21
2.62E-21
1.14E-20
3.30E-20
6.28E-20
2.22E-19
6.04E-19
2.18E-18
8.28E-18
4.52E-17
4.04E-16
2.18E-15
8.09E-15
2.29E-14
5.25E-14
1.03E-13
1.79E-13
2.82E-13
4.10E-13
5.59E-13
7.25E-13
9.00E-13
1.08E-12
1.26E-12
1.43E-12
1.60E-12
1.76E-12
1.90E-12
2.04E-12
2.16E-12
2.27E-12
2.38E-12
2.48E-12
2.57E-12
2.66E-12
2.74E-12
2.83E-12
2.91E-12
3.00E-12
3.09E-12
3.18E-12
3.28E-12
3.38E-12
3.49E-12
3.60E-12
3.71E-12
HCCOH
0.00E+00
6.32E-31
2.69E-29
1.73E-28
5.55E-28
4.01E-27
1.32E-26
7.54E-26
2.16E-25
2.05E-24
1.09E-23
3.07E-23
2.38E-22
1.15E-21
6.91E-21
3.23E-20
1.80E-19
1.52E-18
8.50E-18
3.60E-17
1.23E-16
3.53E-16
8.80E-16
1.94E-15
3.87E-15
7.06E-15
1.20E-14
1.90E-14
2.86E-14
4.10E-14
5.65E-14
7.51E-14
9.68E-14
1.21E-13
1.49E-13
1.79E-13
2.10E-13
2.43E-13
2.78E-13
3.13E-13
3.47E-13
3.82E-13
4.15E-13
4.47E-13
4.77E-13
5.05E-13
5.29E-13
5.51E-13
5.69E-13
5.83E-13
5.94E-13
6.01E-13
6.03E-13
N
0.00E+00
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.01E-55
1.05E-55
1.10E-55
1.16E-55
1.23E-55
1.30E-55
1.38E-55
1.47E-55
1.56E-55
1.66E-55
1.76E-55
1.87E-55
1.98E-55
2.09E-55
NO
0.00E+00
1.00E-55
1.01E-55
1.01E-55
1.01E-55
1.02E-55
1.03E-55
1.03E-55
1.04E-55
1.06E-55
1.08E-55
1.10E-55
1.14E-55
1.18E-55
1.24E-55
1.31E-55
1.42E-55
1.59E-55
1.82E-55
2.11E-55
2.47E-55
2.90E-55
3.42E-55
4.02E-55
4.70E-55
5.45E-55
6.27E-55
7.15E-55
8.09E-55
9.08E-55
1.01E-54
1.12E-54
1.23E-54
1.34E-54
1.46E-54
1.58E-54
1.70E-54
1.83E-54
1.95E-54
2.08E-54
2.21E-54
2.34E-54
2.47E-54
2.60E-54
2.74E-54
2.88E-54
3.02E-54
3.17E-54
3.31E-54
3.46E-54
3.61E-54
3.77E-54
3.93E-54
N2O
0.00E+00
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
7.47E-13
5.66E-13
4.30E-13
3.27E-13
2.49E-13
1.91E-13
1.47E-13
1.13E-13
8.80E-14
3.62E-14
4.22E-15
1.53E-09
1.59E-09
1.65E-09
1.71E-09
1.77E-09
1.83E-09
1.89E-09
1.95E-09
2.01E-09
2.22E-09
2.75E-09
1.13E-53
1.15E-53
1.17E-53
1.19E-53
1.21E-53
1.23E-53
1.25E-53
1.27E-53
1.29E-53
1.31E-53
1.33E-53
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
7.94E-06
3.82E-12
3.93E-12
4.03E-12
4.13E-12
4.23E-12
4.32E-12
4.40E-12
4.47E-12
4.52E-12
4.59E-12
3.69E-12
6.03E-13
5.98E-13
5.90E-13
5.79E-13
5.65E-13
5.49E-13
5.30E-13
5.09E-13
4.87E-13
3.97E-13
1.79E-13
2.21E-55
2.33E-55
2.46E-55
2.58E-55
2.71E-55
2.84E-55
2.98E-55
3.11E-55
3.25E-55
3.59E-55
4.05E-55
4.09E-54
4.25E-54
4.42E-54
4.59E-54
4.76E-54
4.94E-54
5.12E-54
5.30E-54
5.49E-54
5.91E-54
6.84E-54
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
NO2
0.00E+00
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
NH
0.00E+00
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.01E-55
1.04E-55
1.10E-55
1.19E-55
1.33E-55
1.50E-55
1.69E-55
1.89E-55
2.09E-55
2.28E-55
2.43E-55
2.55E-55
2.63E-55
2.67E-55
2.68E-55
2.65E-55
2.60E-55
2.54E-55
2.46E-55
2.38E-55
2.29E-55
2.21E-55
2.13E-55
2.06E-55
1.99E-55
1.93E-55
1.88E-55
1.84E-55
1.81E-55
1.78E-55
1.76E-55
1.75E-55
1.73E-55
1.72E-55
1.72E-55
1.72E-55
HNO
0.00E+00
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
NH2
0.00E+00
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
NNH
0.00E+00
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
CN
0.00E+00
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
NCO
0.00E+00
1.01E-55
1.02E-55
1.03E-55
1.03E-55
1.05E-55
1.06E-55
1.08E-55
1.09E-55
1.14E-55
1.18E-55
1.22E-55
1.31E-55
1.40E-55
1.53E-55
1.67E-55
1.85E-55
2.10E-55
2.32E-55
2.51E-55
2.65E-55
2.73E-55
2.76E-55
2.73E-55
2.66E-55
2.55E-55
2.41E-55
2.26E-55
2.10E-55
1.94E-55
1.79E-55
1.66E-55
1.54E-55
1.43E-55
1.34E-55
1.26E-55
1.20E-55
1.15E-55
1.11E-55
1.07E-55
1.05E-55
1.03E-55
1.01E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.01E-55
1.02E-55
HCN
0.00E+00
2.23E-55
3.22E-55
3.89E-55
4.48E-55
5.34E-55
6.13E-55
7.08E-55
7.98E-55
8.98E-55
1.00E-54
1.10E-54
1.21E-54
1.31E-54
1.43E-54
1.54E-54
1.67E-54
1.82E-54
1.97E-54
2.13E-54
2.29E-54
2.45E-54
2.61E-54
2.78E-54
2.95E-54
3.12E-54
3.29E-54
3.46E-54
3.63E-54
3.80E-54
3.97E-54
4.14E-54
4.30E-54
4.47E-54
4.63E-54
4.79E-54
4.94E-54
5.09E-54
5.24E-54
5.39E-54
5.53E-54
5.67E-54
5.81E-54
5.94E-54
6.08E-54
6.21E-54
6.34E-54
6.47E-54
6.59E-54
6.72E-54
6.84E-54
6.96E-54
7.08E-54
HOCN
0.00E+00
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.72E-55
1.72E-55
1.72E-55
1.73E-55
1.74E-55
1.74E-55
1.75E-55
1.76E-55
1.78E-55
1.68E-55
1.50E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.02E-55
1.03E-55
1.04E-55
1.05E-55
1.06E-55
1.07E-55
1.08E-55
1.09E-55
1.10E-55
1.00E-55
1.00E-55
7.19E-54
7.31E-54
7.42E-54
7.53E-54
7.63E-54
7.74E-54
7.84E-54
7.94E-54
8.03E-54
8.04E-54
7.67E-54
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
HNCO
0.00E+00
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.01E-55
1.02E-55
1.03E-55
1.06E-55
1.10E-55
1.15E-55
1.22E-55
1.30E-55
1.39E-55
1.49E-55
1.61E-55
1.74E-55
1.88E-55
2.03E-55
2.18E-55
2.35E-55
2.51E-55
2.68E-55
2.86E-55
3.04E-55
3.22E-55
3.40E-55
3.58E-55
3.76E-55
3.95E-55
4.13E-55
4.31E-55
4.49E-55
4.67E-55
4.85E-55
5.03E-55
5.21E-55
5.39E-55
5.56E-55
5.73E-55
5.91E-55
6.08E-55
H2CN
0.00E+00
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
HCNN
0.00E+00
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
HCNO
0.00E+00
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
NH3
0.00E+00
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
CH2CHO
0.00E+00
1.73E-24
2.12E-23
7.27E-23
1.56E-22
5.65E-22
1.21E-21
3.63E-21
6.99E-21
2.74E-20
7.44E-20
1.37E-19
4.67E-19
1.22E-18
3.71E-18
9.87E-18
2.93E-17
1.11E-16
3.11E-16
7.13E-16
1.41E-15
2.48E-15
3.99E-15
5.96E-15
8.38E-15
1.12E-14
1.43E-14
1.77E-14
2.12E-14
2.47E-14
2.81E-14
3.13E-14
3.44E-14
3.71E-14
3.96E-14
4.18E-14
4.36E-14
4.51E-14
4.63E-14
4.71E-14
4.77E-14
4.79E-14
4.79E-14
4.76E-14
4.71E-14
4.64E-14
4.54E-14
4.43E-14
4.31E-14
4.16E-14
4.01E-14
3.85E-14
3.68E-14
CH3CHO
0.00E+00
6.99E-23
8.18E-22
2.74E-21
5.83E-21
2.07E-20
4.42E-20
1.33E-19
2.58E-19
1.05E-18
2.99E-18
5.75E-18
2.14E-17
6.05E-17
1.99E-16
5.56E-16
1.70E-15
6.44E-15
1.77E-14
3.94E-14
7.56E-14
1.29E-13
2.02E-13
2.95E-13
4.04E-13
5.27E-13
6.59E-13
7.93E-13
9.25E-13
1.05E-12
1.16E-12
1.26E-12
1.34E-12
1.40E-12
1.44E-12
1.46E-12
1.47E-12
1.46E-12
1.43E-12
1.40E-12
1.35E-12
1.30E-12
1.23E-12
1.17E-12
1.10E-12
1.03E-12
9.59E-13
8.89E-13
8.20E-13
7.54E-13
6.90E-13
6.29E-13
5.72E-13
C3H8
0.00E+00
3.65E-20
2.25E-19
5.47E-19
9.49E-19
2.39E-18
4.12E-18
9.05E-18
1.45E-17
3.88E-17
8.07E-17
1.27E-16
3.19E-16
6.60E-16
1.53E-15
3.13E-15
6.78E-15
1.65E-14
3.11E-14
4.94E-14
6.92E-14
8.80E-14
1.03E-13
1.14E-13
1.19E-13
1.19E-13
1.14E-13
1.05E-13
9.42E-14
8.22E-14
6.99E-14
5.82E-14
4.75E-14
3.81E-14
3.01E-14
2.34E-14
1.79E-14
1.36E-14
1.01E-14
7.50E-15
5.49E-15
3.98E-15
2.86E-15
2.03E-15
1.44E-15
1.01E-15
7.02E-16
4.86E-16
3.35E-16
2.31E-16
1.58E-16
1.09E-16
7.45E-17
C3H7
0.00E+00
3.77E-21
2.02E-20
4.43E-20
7.09E-20
1.51E-19
2.31E-19
4.16E-19
5.82E-19
1.15E-18
1.89E-18
2.58E-18
4.99E-18
8.57E-18
1.62E-17
2.81E-17
5.11E-17
1.03E-16
1.75E-16
2.67E-16
3.77E-16
4.99E-16
6.22E-16
7.35E-16
8.26E-16
8.84E-16
9.07E-16
8.95E-16
8.53E-16
7.87E-16
7.07E-16
6.19E-16
5.30E-16
4.44E-16
3.66E-16
2.97E-16
2.38E-16
1.88E-16
1.47E-16
1.13E-16
8.69E-17
6.61E-17
5.00E-17
3.76E-17
2.81E-17
2.10E-17
1.57E-17
1.17E-17
8.74E-18
6.55E-18
4.92E-18
3.72E-18
2.83E-18
6.24E-55
6.41E-55
6.57E-55
6.73E-55
6.88E-55
7.04E-55
7.19E-55
7.33E-55
7.48E-55
7.58E-55
6.86E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
1.00E-55
3.51E-14
3.33E-14
3.15E-14
2.97E-14
2.79E-14
2.62E-14
2.45E-14
2.28E-14
2.12E-14
1.57E-14
6.02E-15
5.18E-13
4.67E-13
4.20E-13
3.77E-13
3.38E-13
3.01E-13
2.68E-13
2.38E-13
2.11E-13
1.32E-13
3.42E-14
5.12E-17
3.54E-17
2.46E-17
1.72E-17
1.21E-17
8.60E-18
6.17E-18
4.48E-18
3.28E-18
1.12E-18
8.36E-20
2.17E-18
1.67E-18
1.29E-18
1.01E-18
7.95E-19
6.28E-19
4.98E-19
3.97E-19
3.17E-19
1.40E-19
1.48E-20
Temperature(K)
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.79E+03
1.80E+03
1.80E+03
1.80E+03
1.80E+03
1.80E+03
1.80E+03
1.80E+03
Kintecus Control Spreadsheet Page
James Ianni:
NOTE** Most cells have comments which can be permanently shown on screen (like the one in this cell) by right
clicking the cell and selecting "Show Comment", to hide, right click cell and select "Hide Comment"
Once you click the

Kintecus will Run. T
the ESCAPE key (E
type a Control-C (h
C key) in the Kinte
Kintecus.
Kintecus Registration/Unlocking Key (enter in the cell below)
Kintecus PATH (where Kintecus.exe and your files are located at. ie. C:\KINTECUS\ )
C:\Kintecus\
Ja
Th
ma
re
ex
Kintecus Switches
-THERM -show
I am using the German/Russian version of Excel =
James Ianni:
Once you click the RUN button below,
Kintecus will Run. To stop Kintecus, press
the ESCAPE key (Esc Key) FIRST! THEN
type a Control-C (hold Ctrl key, press the
C key) in the Kintecus Window to halt
Kintecus.
James Ianni:
This run should
match grict2.bat
results and the
experimental results
Model Description SpreadSheet

#
#A
T^m
Ea
# '2O+M<=>O2+M
1.200E+17 -1.000
.00'
#
'H2/ 2.40/ H2O/15.40/ CH4/ 2.00/ CO/ 1.75/ CO2/ 3.60/ C2H6/ 3.00/ AR/ .83/'
1.20E+17
-1
0
# 'O+H+M<=>OH+M 5.000E+17 -1.000 .00 !'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
5.00E+17
-1
0
# 'O+H2<=>H+OH 3.870E+04 2.700 6260.00 !'
3.87E+04
2.7
6260
# 'O+HO2<=>OH+O2 2.000E+13 .000 .00 !'
2.00E+13
0
0
# 'O+H2O2<=>OH+HO2 9.630E+06 2.000 4000.00 !'
9.63E+06
2
4000
# 'O+CH<=>H+CO 5.700E+13 .000 .00 !'
5.70E+13
0
0
# 'O+CH2<=>H+HCO 8.000E+13 .000 .00 !'
8.00E+13
0
0
# 'O+CH2(S)<=>H2+CO 1.500E+13 .000 .00 !'
1.50E+13
0
0
# 'O+CH2(S)<=>H+HCO 1.500E+13 .000 .00 !'
1.50E+13
0
0
# 'O+CH3<=>H+CH2O 5.060E+13 .000 .00 !'
5.06E+13
0
0
# 'O+CH4<=>OH+CH3 1.020E+09 1.500 8600.00 !'
1.02E+09
1.5
8600
# 'O+CO(+M)<=>CO2(+M) 1.800E+10 .000 2385.00 !'
#
'LOW/ 6.020E+14 .000 3000.00/'
#
'H2/2.00/ O2/6.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/3.50/ C2H6/3.00/ AR/ .50/'
1.80E+10
0
2385
# 'O+HCO<=>OH+CO 3.000E+13 .000 .00 !'
3.00E+13
0
0
# 'O+HCO<=>H+CO2 3.000E+13 .000 .00 !'
3.00E+13
0
0
# 'O+CH2O<=>OH+HCO 3.900E+13 .000 3540.00 !'
3.90E+13
0
3540
# 'O+CH2OH<=>OH+CH2O 1.000E+13 .000 .00 !'
1.00E+13
0
0
# 'O+CH3O<=>OH+CH2O 1.000E+13 .000 .00 !'
1.00E+13
0
0
# 'O+CH3OH<=>OH+CH2OH 3.880E+05 2.500 3100.00 !'
3.88E+05
2.5
3100
# 'O+CH3OH<=>OH+CH3O 1.300E+05 2.500 5000.00 !'
1.30E+05
2.5
5000
# 'O+C2H<=>CH+CO 5.000E+13 .000 .00 !'
5.00E+13
0
0
# 'O+C2H2<=>H+HCCO 1.350E+07 2.000 1900.00 !'
1.35E+07
2
1900
# 'O+C2H2<=>OH+C2H 4.600E+19 -1.410 28950.00 !'
4.60E+19
-1.41
28950
# 'O+C2H2<=>CO+CH2 6.940E+06 2.000 1900.00 !'

6.94E+06
2
1900
# 'O+C2H3<=>H+CH2CO 3.000E+13 .000 .00 !'
3.00E+13
0
0
# 'O+C2H4<=>CH3+HCO 1.250E+07 1.830 220.00 !'
1.25E+07
1.83
220
# 'O+C2H5<=>CH3+CH2O 2.240E+13 .000 .00 !'
2.24E+13
0
0
# 'O+C2H6<=>OH+C2H5 8.980E+07 1.920 5690.00 !'
8.98E+07
1.92
5690
# 'O+HCCO<=>H+2CO 1.000E+14 .000 .00 !'
1.00E+14
0
0
# 'O+CH2CO<=>OH+HCCO 1.000E+13 .000 8000.00 !'
1.00E+13
0
8000
# 'O+CH2CO<=>CH2+CO2 1.750E+12 .000 1350.00 !'
1.75E+12
0
1350
# 'O2+CO<=>O+CO2 2.500E+12 .000 47800.00 !'
2.50E+12
0
47800
# 'O2+CH2O<=>HO2+HCO 1.000E+14 .000 40000.00 !'
1.00E+14
0
40000
# 'H+O2+M<=>HO2+M 2.800E+18 -.860 .00 !'
#
'O2/ .00/ H2O/ .00/ CO/ .75/ CO2/1.50/ C2H6/1.50/ N2/ .00/ AR/ .00/'
2.80E+18
-0.86
0
# 'H+2O2<=>HO2+O2 2.080E+19 -1.240 .00 !'
2.08E+19
-1.24
0
# 'H+O2+H2O<=>HO2+H2O 11.26E+18 -.760 .00 !'
1.13E+19
-0.76
0
# 'H+O2+N2<=>HO2+N2 2.600E+19 -1.240 .00 !'
2.60E+19
-1.24
0
# 'H+O2+AR<=>HO2+AR 7.000E+17 -.800 .00 !'
7.00E+17
-0.8
0
# 'H+O2<=>O+OH 2.650E+16 -.6707 17041.00 !'
2.65E+16 -0.6707
17041
# '2H+M<=>H2+M 1.000E+18 -1.000 .00 !'
#
'H2/ .00/ H2O/ .00/ CH4/2.00/ CO2/ .00/ C2H6/3.00/ AR/ .63/'
1.00E+18
-1
0
# '2H+H2<=>2H2 9.000E+16 -.600 .00 !'
9.00E+16
-0.6
0
# '2H+H2O<=>H2+H2O 6.000E+19 -1.250 .00 !'
6.00E+19
-1.25
0
# '2H+CO2<=>H2+CO2 5.500E+20 -2.000 .00 !'
5.50E+20
-2
0
# 'H+OH+M<=>H2O+M 2.200E+22 -2.000 .00 !'
#
'H2/ .73/ H2O/3.65/ CH4/2.00/ C2H6/3.00/ AR/ .38/'
2.20E+22
-2
0
# 'H+HO2<=>O+H2O 3.970E+12 .000 671.00 !'
3.97E+12
0
671
# 'H+HO2<=>O2+H2 4.480E+13 .000 1068.00 !'
4.48E+13
0
1068
# 'H+HO2<=>2OH 0.840E+14 .000 635.00 !'
8.40E+13
0
635
# 'H+H2O2<=>HO2+H2 1.210E+07 2.000 5200.00 !'

1.21E+07
2
5200
# 'H+H2O2<=>OH+H2O 1.000E+13 .000 3600.00 !'
1.00E+13
0
3600
# 'H+CH<=>C+H2 1.650E+14 .000 .00 !'
1.65E+14
0
0
# 'H+CH2(+M)<=>CH3(+M) 6.000E+14 .000 .00 !'
#
'LOW / 1.040E+26 -2.760 1600.00/'
#
'TROE/ .5620 91.00 5836.00 8552.00/'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
6.00E+14
0
0
# 'H+CH2(S)<=>CH+H2 3.000E+13 .000 .00 !'
3.00E+13
0
0
# 'H+CH3(+M)<=>CH4(+M) 13.90E+15 -.534 536.00 !'
#
'LOW / 2.620E+33 -4.760 2440.00/'
#
'TROE/ .7830 74.00 2941.00 6964.00 /'
#
'H2/2.00/ H2O/6.00/ CH4/3.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
1.39E+16
-0.534
536
# 'H+CH4<=>CH3+H2 6.600E+08 1.620 10840.00 !'
6.60E+08
1.62
10840
# 'H+HCO(+M)<=>CH2O(+M) 1.090E+12 .480 -260.00 !'
#
'LOW / 2.470E+24 -2.570 425.00/'
#
'TROE/ .7824 271.00 2755.00 6570.00 /'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
1.09E+12
0.48
-260
# 'H+HCO<=>H2+CO 7.340E+13 .000 .00 !'
7.34E+13
0
0
# 'H+CH2O(+M)<=>CH2OH(+M) 5.400E+11 .454 3600.00 !'
#
'LOW / 1.270E+32 -4.820 6530.00/'
#
'TROE/ .7187 103.00 1291.00 4160.00 /'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/'
5.40E+11
0.454
3600
# 'H+CH2O(+M)<=>CH3O(+M) 5.400E+11 .454 2600.00 !'
#
'LOW / 2.200E+30 -4.800 5560.00/'
#
'TROE/ .7580 94.00 1555.00 4200.00 /'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/'
5.40E+11
0.454
2600
# 'H+CH2O<=>HCO+H2 5.740E+07 1.900 2742.00 !'
5.74E+07
1.9
2742
# 'H+CH2OH(+M)<=>CH3OH(+M) 1.055E+12 .500 86.00 !'
#
'LOW / 4.360E+31 -4.650 5080.00/'
#
'TROE/ .600 100.00 90000.0 10000.0 /'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/'
1.06E+12
0.5
86
# 'H+CH2OH<=>H2+CH2O 2.000E+13 .000 .00 !'
2.00E+13
0
0
# 'H+CH2OH<=>OH+CH3 1.650E+11 .650 -284.00 !'
1.65E+11
0.65
-284
# 'H+CH2OH<=>CH2(S)+H2O 3.280E+13 -.090 610.00 !'
3.28E+13
-0.09
610
# 'H+CH3O(+M)<=>CH3OH(+M) 2.430E+12 .515 50.00 !'
#
#
#
'LOW / 4.660E+41 -7.440 14080.0/'

'TROE/ .700 100.00 90000.0 10000.00 /'
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/'
2.43E+12
0.515
50
# 'H+CH3O<=>H+CH2OH 4.150E+07 1.630 1924.00 !'
4.15E+07
1.63
1924
# 'H+CH3O<=>H2+CH2O 2.000E+13 .000 .00 !'
2.00E+13
0
0
# 'H+CH3O<=>OH+CH3 1.500E+12 .500 -110.00 !'
1.50E+12
0.5
-110
# 'H+CH3O<=>CH2(S)+H2O 2.620E+14 -.230 1070.00 !'
2.62E+14
-0.23
1070
# 'H+CH3OH<=>CH2OH+H2 1.700E+07 2.100 4870.00 !'
1.70E+07
2.1
4870
# 'H+CH3OH<=>CH3O+H2 4.200E+06 2.100 4870.00 !'
4.20E+06
2.1
4870
# 'H+C2H(+M)<=>C2H2(+M) 1.000E+17 -1.000 .00 !'
#
'LOW / 3.750E+33 -4.800 1900.00/'
#
'TROE/ .6464 132.00 1315.00 5566.00 /'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
1.00E+17
-1
0
# 'H+C2H2(+M)<=>C2H3(+M) 5.600E+12 .000 2400.00 !'
#
'LOW / 3.800E+40 -7.270 7220.00/'
#
'TROE/ .7507 98.50 1302.00 4167.00 /'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
5.60E+12
0
2400
# 'H+C2H3(+M)<=>C2H4(+M) 6.080E+12 .270 280.00 !'
#
'LOW / 1.400E+30 -3.860 3320.00/'
#
'TROE/ .7820 207.50 2663.00 6095.00 /'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
6.08E+12
0.27
280
# 'H+C2H3<=>H2+C2H2 3.000E+13 .000 .00 !'
3.00E+13
0
0
# 'H+C2H4(+M)<=>C2H5(+M) 0.540E+12 .454 1820.00 !'
#
'LOW / 0.600E+42 -7.620 6970.00/'
#
'TROE/ .9753 210.00 984.00 4374.00 /'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
5.40E+11
0.454
1820
# 'H+C2H4<=>C2H3+H2 1.325E+06 2.530 12240.00 !'
1.33E+06
2.53
12240
# 'H+C2H5(+M)<=>C2H6(+M) 5.210E+17 -.990 1580.00 !'
#
'LOW / 1.990E+41 -7.080 6685.00/'
#
'TROE/ .8422 125.00 2219.00 6882.00 /'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
5.21E+17
-0.99
1580
# 'H+C2H5<=>H2+C2H4 2.000E+12 .000 .00 !'
2.00E+12
0
0
# 'H+C2H6<=>C2H5+H2 1.150E+08 1.900 7530.00 !'
1.15E+08
1.9
7530
# 'H+HCCO<=>CH2(S)+CO 1.000E+14 .000 .00 !'
1.00E+14
0
0
# 'H+CH2CO<=>HCCO+H2 5.000E+13 .000 8000.00 !'

5.00E+13
0
8000
# 'H+CH2CO<=>CH3+CO 1.130E+13 .000 3428.00 !'
1.13E+13
0
3428
# 'H+HCCOH<=>H+CH2CO 1.000E+13 .000 .00 !'
1.00E+13
0
0
# 'H2+CO(+M)<=>CH2O(+M) 4.300E+07 1.500 79600.00 !'
#
'LOW / 5.070E+27 -3.420 84350.00/'
#
'TROE/ .9320 197.00 1540.00 10300.00 /'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
4.30E+07
1.5
79600
# 'OH+H2<=>H+H2O 2.160E+08 1.510 3430.00 !'
2.16E+08
1.51
3430
# '2OH(+M)<=>H2O2(+M) 7.400E+13 -.370 .00 !'
#
'LOW / 2.300E+18 -.900 -1700.00/'
#
'TROE/ .7346 94.00 1756.00 5182.00 /'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
7.40E+13
-0.37
0
# '2OH<=>O+H2O 3.570E+04 2.400 -2110.00 !'
3.57E+04
2.4
-2110
# 'OH+HO2<=>O2+H2O 1.450E+13 .000 -500.00 !'
1.45E+13
0
-500
# 'DUPLICATE !'
# 'OH+H2O2<=>HO2+H2O
2.000E+12 .000 427.00'
2.00E+12
0
427
# 'DUPLICATE !'
# 'OH+H2O2<=>HO2+H2O
1.700E+18 .000 29410.00'
1.70E+18
0
29410
# 'DUPLICATE !'
# 'OH+C<=>H+CO
5.000E+13 .000
.00'
5.00E+13
0
0
# 'OH+CH<=>H+HCO 3.000E+13 .000 .00 !'
3.00E+13
0
0
# 'OH+CH2<=>H+CH2O 2.000E+13 .000 .00 !'
2.00E+13
0
0
# 'OH+CH2<=>CH+H2O 1.130E+07 2.000 3000.00 !'
1.13E+07
2
3000
# 'OH+CH2(S)<=>H+CH2O 3.000E+13 .000 .00 !'
3.00E+13
0
0
# 'OH+CH3(+M)<=>CH3OH(+M) 2.790E+18 -1.430 1330.00 !'
#
'LOW / 4.000E+36 -5.920 3140.00/'
#
'TROE/ .4120 195.0 5900.00 6394.00/'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/'
2.79E+18
-1.43
1330
# 'OH+CH3<=>CH2+H2O 5.600E+07 1.600 5420.00 !'
5.60E+07
1.6
5420
# 'OH+CH3<=>CH2(S)+H2O 6.440E+17 -1.340 1417.00 !'
6.44E+17
-1.34
1417
# 'OH+CH4<=>CH3+H2O 1.000E+08 1.600 3120.00 !'
1.00E+08
1.6
3120
# 'OH+CO<=>H+CO2 4.760E+07 1.228 70.00 !'
4.76E+07
1.228
70
# 'OH+HCO<=>H2O+CO 5.000E+13 .000 .00 !'
5.00E+13
0
0
# 'OH+CH2O<=>HCO+H2O 3.430E+09 1.180 -447.00 !'
3.43E+09
1.18
-447
# 'OH+CH2OH<=>H2O+CH2O 5.000E+12 .000 .00 !'
5.00E+12
0
0
# 'OH+CH3O<=>H2O+CH2O 5.000E+12 .000 .00 !'
5.00E+12
0
0
# 'OH+CH3OH<=>CH2OH+H2O 1.440E+06 2.000 -840.00 !'
1.44E+06
2
-840
# 'OH+CH3OH<=>CH3O+H2O 6.300E+06 2.000 1500.00 !'
6.30E+06
2
1500
# 'OH+C2H<=>H+HCCO 2.000E+13 .000 .00 !'
2.00E+13
0
0
# 'OH+C2H2<=>H+CH2CO 2.180E-04 4.500 -1000.00 !'
2.18E-04
4.5
-1000
# 'OH+C2H2<=>H+HCCOH 5.040E+05 2.300 13500.00 !'
5.04E+05
2.3
13500
# 'OH+C2H2<=>C2H+H2O 3.370E+07 2.000 14000.00 !'
3.37E+07
2
14000
# 'OH+C2H2<=>CH3+CO 4.830E-04 4.000 -2000.00 !'
4.83E-04
4
-2000
# 'OH+C2H3<=>H2O+C2H2 5.000E+12 .000 .00 !'
5.00E+12
0
0
# 'OH+C2H4<=>C2H3+H2O 3.600E+06 2.000 2500.00 !'
3.60E+06
2
2500
# 'OH+C2H6<=>C2H5+H2O 3.540E+06 2.120 870.00 !'
3.54E+06
2.12
870
# 'OH+CH2CO<=>HCCO+H2O 7.500E+12 .000 2000.00 !'
7.50E+12
0
2000
# '2HO2<=>O2+H2O2 1.300E+11 .000 -1630.00 !'
1.30E+11
0
-1630
# 'DUPLICATE !'
# '2HO2<=>O2+H2O2
4.200E+14 .000 12000.00'
4.20E+14
0
12000
# 'DUPLICATE !'
# 'HO2+CH2<=>OH+CH2O
2.000E+13 .000
.00'
2.00E+13
0
0
# 'HO2+CH3<=>O2+CH4 1.000E+12 .000 .00 !'
1.00E+12
0
0
# 'HO2+CH3<=>OH+CH3O 3.780E+13 .000 .00 !'
3.78E+13
0
0
# 'HO2+CO<=>OH+CO2 1.500E+14 .000 23600.00 !'
1.50E+14
0
23600
# 'HO2+CH2O<=>HCO+H2O2 5.600E+06 2.000 12000.00 !'
5.60E+06
2
12000
# 'C+O2<=>O+CO 5.800E+13 .000 576.00 !'
5.80E+13
0
576
# 'C+CH2<=>H+C2H 5.000E+13 .000 .00 !'
5.00E+13
0
0
# 'C+CH3<=>H+C2H2 5.000E+13 .000 .00 !'

5.00E+13
0
0
# 'CH+O2<=>O+HCO 6.710E+13 .000 .00 !'
6.71E+13
0
0
# 'CH+H2<=>H+CH2 1.080E+14 .000 3110.00 !'
1.08E+14
0
3110
# 'CH+H2O<=>H+CH2O 5.710E+12 .000 -755.00 !'
5.71E+12
0
-755
# 'CH+CH2<=>H+C2H2 4.000E+13 .000 .00 !'
4.00E+13
0
0
# 'CH+CH3<=>H+C2H3 3.000E+13 .000 .00 !'
3.00E+13
0
0
# 'CH+CH4<=>H+C2H4 6.000E+13 .000 .00 !'
6.00E+13
0
0
# 'CH+CO(+M)<=>HCCO(+M) 5.000E+13 .000 .00 !'
#
'LOW / 2.690E+28 -3.740 1936.00/'
#
'TROE/ .5757 237.00 1652.00 5069.00 /'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
5.00E+13
0
0
# 'CH+CO2<=>HCO+CO 1.900E+14 .000 15792.00 !'
1.90E+14
0
15792
# 'CH+CH2O<=>H+CH2CO 9.460E+13 .000 -515.00 !'
9.46E+13
0
-515
# 'CH+HCCO<=>CO+C2H2 5.000E+13 .000 .00 !'
5.00E+13
0
0
# 'CH2+O2=>OH+H+CO 5.000E+12 .000 1500.00 !'
5.00E+12
0
1500
# 'CH2+H2<=>H+CH3 5.000E+05 2.000 7230.00 !'
5.00E+05
2
7230
# '2CH2<=>H2+C2H2 1.600E+15 .000 11944.00 !'
1.60E+15
0
11944
# 'CH2+CH3<=>H+C2H4 4.000E+13 .000 .00 !'
4.00E+13
0
0
# 'CH2+CH4<=>2CH3 2.460E+06 2.000 8270.00 !'
2.46E+06
2
8270
# 'CH2+CO(+M)<=>CH2CO(+M) 8.100E+11 .500 4510.00 !'
#
'LOW / 2.690E+33 -5.110 7095.00/'
#
'TROE/ .5907 275.00 1226.00 5185.00 /'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
8.10E+11
0.5
4510
# 'CH2+HCCO<=>C2H3+CO 3.000E+13 .000 .00 !'
3.00E+13
0
0
# 'CH2(S)+N2<=>CH2+N2 1.500E+13 .000 600.00 !'
1.50E+13
0
600
# 'CH2(S)+AR<=>CH2+AR 9.000E+12 .000 600.00 !'
9.00E+12
0
600
# 'CH2(S)+O2<=>H+OH+CO 2.800E+13 .000 .00 !'
2.80E+13
0
0
# 'CH2(S)+O2<=>CO+H2O 1.200E+13 .000 .00 !'
1.20E+13
0
0
# 'CH2(S)+H2<=>CH3+H 7.000E+13 .000 .00 !'
7.00E+13
0
0
# 'CH2(S)+H2O(+M)<=>CH3OH(+M) 4.820E+17 -1.160 1145.00 !'
#
'LOW / 1.880E+38 -6.360 5040.00/'
#
'TROE/ .6027 208.00 3922.00 10180.0 /'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/'
4.82E+17
-1.16
1145
# 'CH2(S)+H2O<=>CH2+H2O 3.000E+13 .000 .00 !'
3.00E+13
0
0
# 'CH2(S)+CH3<=>H+C2H4 1.200E+13 .000 -570.00 !'
1.20E+13
0
-570
# 'CH2(S)+CH4<=>2CH3 1.600E+13 .000 -570.00 !'
1.60E+13
0
-570
# 'CH2(S)+CO<=>CH2+CO 9.000E+12 .000 .00 !'
9.00E+12
0
0
# 'CH2(S)+CO2<=>CH2+CO2 7.000E+12 .000 .00 !'
7.00E+12
0
0
# 'CH2(S)+CO2<=>CO+CH2O 1.400E+13 .000 .00 !'
1.40E+13
0
0
# 'CH2(S)+C2H6<=>CH3+C2H5 4.000E+13 .000 -550.00 !'
4.00E+13
0
-550
# 'CH3+O2<=>O+CH3O 3.560E+13 .000 30480.00 !'
3.56E+13
0
30480
# 'CH3+O2<=>OH+CH2O 2.310E+12 .000 20315.00 !'
2.31E+12
0
20315
# 'CH3+H2O2<=>HO2+CH4 2.450E+04 2.470 5180.00 !'
2.45E+04
2.47
5180
# '2CH3(+M)<=>C2H6(+M) 6.770E+16 -1.180 654.00 !'
#
'LOW / 3.400E+41 -7.030 2762.00/'
#
'TROE/ .6190 73.20 1180.00 9999.00 /'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
6.77E+16
-1.18
654
# '2CH3<=>H+C2H5 6.840E+12 .100 10600.00 !'
6.84E+12
0.1
10600
# 'CH3+HCO<=>CH4+CO 2.648E+13 .000 .00 !'
2.65E+13
0
0
# 'CH3+CH2O<=>HCO+CH4 3.320E+03 2.810 5860.00 !'
3.32E+03
2.81
5860
# 'CH3+CH3OH<=>CH2OH+CH4 3.000E+07 1.500 9940.00 !'
3.00E+07
1.5
9940
# 'CH3+CH3OH<=>CH3O+CH4 1.000E+07 1.500 9940.00 !'
1.00E+07
1.5
9940
# 'CH3+C2H4<=>C2H3+CH4 2.270E+05 2.000 9200.00 !'
2.27E+05
2
9200
# 'CH3+C2H6<=>C2H5+CH4 6.140E+06 1.740 10450.00 !'
6.14E+06
1.74
10450
# 'HCO+H2O<=>H+CO+H2O 1.500E+18 -1.000 17000.00 !'
1.50E+18
-1
17000
# 'HCO+M<=>H+CO+M 1.870E+17 -1.000 17000.00 !'
#
'H2/2.00/ H2O/ .00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/'
1.87E+17
-1
17000
# 'HCO+O2<=>HO2+CO 13.45E+12 .000 400.00 !'
1.35E+13
0
400
# 'CH2OH+O2<=>HO2+CH2O 1.800E+13 .000 900.00 !'
1.80E+13
0
900
# 'CH3O+O2<=>HO2+CH2O 4.280E-13 7.600 -3530.00 !'
4.28E-13
7.6
-3530
# 'C2H+O2<=>HCO+CO 1.000E+13 .000 -755.00 !'
1.00E+13
0
-755
# 'C2H+H2<=>H+C2H2 5.680E+10 0.900 1993.00 !'
5.68E+10
0.9
1993
# 'C2H3+O2<=>HCO+CH2O 4.580E+16 -1.390 1015.00 !'
4.58E+16
-1.39
1015
# 'C2H4(+M)<=>H2+C2H2(+M) 8.000E+12 .440 86770.00 !'
#
'LOW / 1.580E+51 -9.300 97800.00/'
#
'TROE/ .7345 180.00 1035.00 5417.00 /'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
8.00E+12
0.44
86770
# 'C2H5+O2<=>HO2+C2H4 8.400E+11 .000 3875.00 !'
8.40E+11
0
3875
# 'HCCO+O2<=>OH+2CO 3.200E+12 .000 854.00 !'
3.20E+12
0
854
# '2HCCO<=>2CO+C2H2 1.000E+13 .000 .00 !'
1.00E+13
0
0
# 'N+NO<=>N2+O 2.700E+13 .000 355.00 !'
2.70E+13
0
355
# 'N+O2<=>NO+O 9.000E+09 1.000 6500.00 !'
9.00E+09
1
6500
# 'N+OH<=>NO+H 3.360E+13 .000 385.00 !'
3.36E+13
0
385
# 'N2O+O<=>N2+O2 1.400E+12 .000 10810.00 !'
1.40E+12
0
10810
# 'N2O+O<=>2NO 2.900E+13 .000 23150.00 !'
2.90E+13
0
23150
# 'N2O+H<=>N2+OH 3.870E+14 .000 18880.00 !'
3.87E+14
0
18880
# 'N2O+OH<=>N2+HO2 2.000E+12 .000 21060.00 !'
2.00E+12
0
21060
# 'N2O(+M)<=>N2+O(+M) 7.910E+10 .000 56020.00 !'
#
'LOW / 6.370E+14 .000 56640.00/'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .625/'
7.91E+10
0
56020
# 'HO2+NO<=>NO2+OH 2.110E+12 .000 -480.00 !'
2.11E+12
0
-480
# 'NO+O+M<=>NO2+M 1.060E+20 -1.410 .00 !'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
1.06E+20
-1.41
0
# 'NO2+O<=>NO+O2 3.900E+12 .000 -240.00 !'
3.90E+12
0
-240
# 'NO2+H<=>NO+OH 1.320E+14 .000 360.00 !'
1.32E+14
0
360
# 'NH+O<=>NO+H 4.000E+13 .000 .00 !'
4.00E+13
0
0
# 'NH+H<=>N+H2 3.200E+13 .000 330.00 !'

3.20E+13
0
330
# 'NH+OH<=>HNO+H 2.000E+13 .000 .00 !'
2.00E+13
0
0
# 'NH+OH<=>N+H2O 2.000E+09 1.200 .00 !'
2.00E+09
1.2
0
# 'NH+O2<=>HNO+O 4.610E+05 2.000 6500.00 !'
4.61E+05
2
6500
# 'NH+O2<=>NO+OH 1.280E+06 1.500 100.00 !'
1.28E+06
1.5
100
# 'NH+N<=>N2+H 1.500E+13 .000 .00 !'
1.50E+13
0
0
# 'NH+H2O<=>HNO+H2 2.000E+13 .000 13850.00 !'
2.00E+13
0
13850
# 'NH+NO<=>N2+OH 2.160E+13 -.230 .00 !'
2.16E+13
-0.23
0
# 'NH+NO<=>N2O+H 3.650E+14 -.450 .00 !'
3.65E+14
-0.45
0
# 'NH2+O<=>OH+NH 3.000E+12 .000 .00 !'
3.00E+12
0
0
# 'NH2+O<=>H+HNO 3.900E+13 .000 .00 !'
3.90E+13
0
0
# 'NH2+H<=>NH+H2 4.000E+13 .000 3650.00 !'
4.00E+13
0
3650
# 'NH2+OH<=>NH+H2O 9.000E+07 1.500 -460.00 !'
9.00E+07
1.5
-460
# 'NNH<=>N2+H 3.300E+08 .000 .00 !'
3.30E+08
0
0
# 'NNH+M<=>N2+H+M 1.300E+14 -.110 4980.00 !'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
1.30E+14
-0.11
4980
# 'NNH+O2<=>HO2+N2 5.000E+12 .000 .00 !'
5.00E+12
0
0
# 'NNH+O<=>OH+N2 2.500E+13 .000 .00 !'
2.50E+13
0
0
# 'NNH+O<=>NH+NO 7.000E+13 .000 .00 !'
7.00E+13
0
0
# 'NNH+H<=>H2+N2 5.000E+13 .000 .00 !'
5.00E+13
0
0
# 'NNH+OH<=>H2O+N2 2.000E+13 .000 .00 !'
2.00E+13
0
0
# 'NNH+CH3<=>CH4+N2 2.500E+13 .000 .00 !'
2.50E+13
0
0
# 'H+NO+M<=>HNO+M 4.480E+19 -1.320 740.00 !'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
4.48E+19
-1.32
740
# 'HNO+O<=>NO+OH 2.500E+13 .000 .00 !'
2.50E+13
0
0
# 'HNO+H<=>H2+NO 9.000E+11 .720 660.00 !'
9.00E+11
0.72
660
# 'HNO+OH<=>NO+H2O 1.300E+07 1.900 -950.00 !'
1.30E+07
1.9
-950
# 'HNO+O2<=>HO2+NO 1.000E+13 .000 13000.00 !'
1.00E+13
0
13000
# 'CN+O<=>CO+N 7.700E+13 .000 .00 !'
7.70E+13
0
0
# 'CN+OH<=>NCO+H 4.000E+13 .000 .00 !'
4.00E+13
0
0
# 'CN+H2O<=>HCN+OH 8.000E+12 .000 7460.00 !'
8.00E+12
0
7460
# 'CN+O2<=>NCO+O 6.140E+12 .000 -440.00 !'
6.14E+12
0
-440
# 'CN+H2<=>HCN+H 2.950E+05 2.450 2240.00 !'
2.95E+05
2.45
2240
# 'NCO+O<=>NO+CO 2.350E+13 .000 .00 !'
2.35E+13
0
0
# 'NCO+H<=>NH+CO 5.400E+13 .000 .00 !'
5.40E+13
0
0
# 'NCO+OH<=>NO+H+CO 0.250E+13 .000 .00 !'
2.50E+12
0
0
# 'NCO+N<=>N2+CO 2.000E+13 .000 .00 !'
2.00E+13
0
0
# 'NCO+O2<=>NO+CO2 2.000E+12 .000 20000.00 !'
2.00E+12
0
20000
# 'NCO+M<=>N+CO+M 3.100E+14 .000 54050.00 !'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
3.10E+14
0
54050
# 'NCO+NO<=>N2O+CO 1.900E+17 -1.520 740.00 !'
1.90E+17
-1.52
740
# 'NCO+NO<=>N2+CO2 3.800E+18 -2.000 800.00 !'
3.80E+18
-2
800
# 'HCN+M<=>H+CN+M 1.040E+29 -3.300 126600.00 !'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
1.04E+29
-3.3
126600
# 'HCN+O<=>NCO+H 2.030E+04 2.640 4980.00 !'
2.03E+04
2.64
4980
# 'HCN+O<=>NH+CO 5.070E+03 2.640 4980.00 !'
5.07E+03
2.64
4980
# 'HCN+O<=>CN+OH 3.910E+09 1.580 26600.00 !'
3.91E+09
1.58
26600
# 'HCN+OH<=>HOCN+H 1.100E+06 2.030 13370.00 !'
1.10E+06
2.03
13370
# 'HCN+OH<=>HNCO+H 4.400E+03 2.260 6400.00 !'
4.40E+03
2.26
6400
# 'HCN+OH<=>NH2+CO 1.600E+02 2.560 9000.00 !'
1.60E+02
2.56
9000
# 'H+HCN(+M)<=>H2CN(+M) 3.300E+13 .000 .00 !'
#
'LOW / 1.400E+26 -3.400 1900.00/'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
3.30E+13
0
0
# 'H2CN+N<=>N2+CH2 6.000E+13 .000 400.00 !'
6.00E+13
0
400
# 'C+N2<=>CN+N 6.300E+13 .000 46020.00 !'

6.30E+13
0
46020
# 'CH+N2<=>HCN+N 3.120E+09 0.880 20130.00 !'
3.12E+09
0.88
20130
# 'CH+N2(+M)<=>HCNN(+M) 3.100E+12 .150 .00 !'
#
'LOW / 1.300E+25 -3.160 740.00/'
#
'TROE/ .6670 235.00 2117.00 4536.00 /'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ 1.0/'
3.10E+12
0.15
0
# 'CH2+N2<=>HCN+NH 1.000E+13 .000 74000.00 !'
1.00E+13
0
74000
# 'CH2(S)+N2<=>NH+HCN 1.000E+11 .000 65000.00 !'
1.00E+11
0
65000
# 'C+NO<=>CN+O 1.900E+13 .000 .00 !'
1.90E+13
0
0
# 'C+NO<=>CO+N 2.900E+13 .000 .00 !'
2.90E+13
0
0
# 'CH+NO<=>HCN+O 4.100E+13 .000 .00 !'
4.10E+13
0
0
# 'CH+NO<=>H+NCO 1.620E+13 .000 .00 !'
1.62E+13
0
0
# 'CH+NO<=>N+HCO 2.460E+13 .000 .00 !'
2.46E+13
0
0
# 'CH2+NO<=>H+HNCO 3.100E+17 -1.380 1270.00 !'
3.10E+17
-1.38
1270
# 'CH2+NO<=>OH+HCN 2.900E+14 -.690 760.00 !'
2.90E+14
-0.69
760
# 'CH2+NO<=>H+HCNO 3.800E+13 -.360 580.00 !'
3.80E+13
-0.36
580
# 'CH2(S)+NO<=>H+HNCO 3.100E+17 -1.380 1270.00 !'
3.10E+17
-1.38
1270
# 'CH2(S)+NO<=>OH+HCN 2.900E+14 -.690 760.00 !'
2.90E+14
-0.69
760
# 'CH2(S)+NO<=>H+HCNO 3.800E+13 -.360 580.00 !'
3.80E+13
-0.36
580
# 'CH3+NO<=>HCN+H2O 9.600E+13 .000 28800.00 !'
9.60E+13
0
28800
# 'CH3+NO<=>H2CN+OH 1.000E+12 .000 21750.00 !'
1.00E+12
0
21750
# 'HCNN+O<=>CO+H+N2 2.200E+13 .000 .00 !'
2.20E+13
0
0
# 'HCNN+O<=>HCN+NO 2.000E+12 .000 .00 !'
2.00E+12
0
0
# 'HCNN+O2<=>O+HCO+N2 1.200E+13 .000 .00 !'
1.20E+13
0
0
# 'HCNN+OH<=>H+HCO+N2 1.200E+13 .000 .00 !'
1.20E+13
0
0
# 'HCNN+H<=>CH2+N2 1.000E+14 .000 .00 !'
1.00E+14
0
0
# 'HNCO+O<=>NH+CO2 9.800E+07 1.410 8500.00 !'
9.80E+07
1.41
8500
# 'HNCO+O<=>HNO+CO 1.500E+08 1.570 44000.00 !'

1.50E+08
1.57
44000
# 'HNCO+O<=>NCO+OH 2.200E+06 2.110 11400.00 !'
2.20E+06
2.11
11400
# 'HNCO+H<=>NH2+CO 2.250E+07 1.700 3800.00 !'
2.25E+07
1.7
3800
# 'HNCO+H<=>H2+NCO 1.050E+05 2.500 13300.00 !'
1.05E+05
2.5
13300
# 'HNCO+OH<=>NCO+H2O 3.300E+07 1.500 3600.00 !'
3.30E+07
1.5
3600
# 'HNCO+OH<=>NH2+CO2 3.300E+06 1.500 3600.00 !'
3.30E+06
1.5
3600
# 'HNCO+M<=>NH+CO+M 1.180E+16 .000 84720.00 !'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
1.18E+16
0
84720
# 'HCNO+H<=>H+HNCO 2.100E+15 -.690 2850.00 !'
2.10E+15
-0.69
2850
# 'HCNO+H<=>OH+HCN 2.700E+11 .180 2120.00 !'
2.70E+11
0.18
2120
# 'HCNO+H<=>NH2+CO 1.700E+14 -.750 2890.00 !'
1.70E+14
-0.75
2890
# 'HOCN+H<=>H+HNCO 2.000E+07 2.000 2000.00 !'
2.00E+07
2
2000
# 'HCCO+NO<=>HCNO+CO 0.900E+13 .000 .00 !'
9.00E+12
0
0
# 'CH3+N<=>H2CN+H 6.100E+14 -.310 290.00 !'
6.10E+14
-0.31
290
# 'CH3+N<=>HCN+H2 3.700E+12 .150 -90.00 !'
3.70E+12
0.15
-90
# 'NH3+H<=>NH2+H2 5.400E+05 2.400 9915.00 !'
5.40E+05
2.4
9915
# 'NH3+OH<=>NH2+H2O 5.000E+07 1.600 955.00 !'
5.00E+07
1.6
955
# 'NH3+O<=>NH2+OH 9.400E+06 1.940 6460.00 !'
9.40E+06
1.94
6460
# 'NH+CO2<=>HNO+CO 1.000E+13 .000 14350.00 !'
1.00E+13
0
14350
# 'CN+NO2<=>NCO+NO 6.160E+15 -0.752 345.00 !'
6.16E+15
-0.752
345
# 'NCO+NO2<=>N2O+CO2 3.250E+12 .000 -705.00 !'
3.25E+12
0
-705
# 'N+CO2<=>NO+CO 3.000E+12 .000 11300.00 !'
3.00E+12
0
11300
# 'O+CH3=>H+H2+CO 3.370E+13 .000 .00 !'
3.37E+13
0
0
# 'O+C2H4<=>H+CH2CHO 6.700E+06 1.830 220.00 !'
6.70E+06
1.83
220
# 'O+C2H5<=>H+CH3CHO 1.096E+14 .000 .00 !'
1.10E+14
0
0
# 'OH+HO2<=>O2+H2O 0.500E+16 .000 17330.00 !'
5.00E+15
0
17330
# 'DUPLICATE !'
# 'OH+CH3=>H2+CH2O
8.000E+09 .500 -1755.00'
8.00E+09
0.5
-1755
# 'CH+H2(+M)<=>CH3(+M) 1.970E+12 .430 -370.00 !'
#
'LOW/ 4.820E+25 -2.80 590.0 /'
#
'TROE/ .578 122.0 2535.0 9365.0 /'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
1.97E+12
0.43
-370
# 'CH2+O2=>2H+CO2 5.800E+12 .000 1500.00 !'
5.80E+12
0
1500
# 'CH2+O2<=>O+CH2O 2.400E+12 .000 1500.00 !'
2.40E+12
0
1500
# 'CH2+CH2=>2H+C2H2 2.000E+14 .000 10989.00 !'
2.00E+14
0
10989
# 'CH2(S)+H2O=>H2+CH2O 6.820E+10 .250 -935.00 !'
6.82E+10
0.25
-935
# 'C2H3+O2<=>O+CH2CHO 3.030E+11 .290 11.00 !'
3.03E+11
0.29
11
# 'C2H3+O2<=>HO2+C2H2 1.337E+06 1.610 -384.00 !'
1.34E+06
1.61
-384
# 'O+CH3CHO<=>OH+CH2CHO 2.920E+12 .000 1808.00 !'
2.92E+12
0
1808
# 'O+CH3CHO=>OH+CH3+CO 2.920E+12 .000 1808.00 !'
2.92E+12
0
1808
# 'O2+CH3CHO=>HO2+CH3+CO 3.010E+13 .000 39150.00 !'
3.01E+13
0
39150
# 'H+CH3CHO<=>CH2CHO+H2 2.050E+09 1.160 2405.00 !'
2.05E+09
1.16
2405
# 'H+CH3CHO=>CH3+H2+CO 2.050E+09 1.160 2405.00 !'
2.05E+09
1.16
2405
# 'OH+CH3CHO=>CH3+H2O+CO 2.343E+10 0.730 -1113.00 !'
2.34E+10
0.73
-1113
# 'HO2+CH3CHO=>CH3+H2O2+CO 3.010E+12 .000 11923.00 !'
3.01E+12
0
11923
# 'CH3+CH3CHO=>CH3+CH4+CO 2.720E+06 1.770 5920.00 !'
2.72E+06
1.77
5920
# 'H+CH2CO(+M)<=>CH2CHO(+M) 4.865E+11 0.422 -1755.00 !'
#
'LOW/ 1.012E+42 -7.63 3854.0/'
#
'TROE/ 0.465 201.0 1773.0 5333.0 /'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
4.87E+11
0.422
-1755
# 'O+CH2CHO=>H+CH2+CO2 1.500E+14 .000 .00 !'
1.50E+14
0
0
# 'O2+CH2CHO=>OH+CO+CH2O 1.810E+10 .000 .00 !'
1.81E+10
0
0
# 'O2+CH2CHO=>OH+2HCO 2.350E+10 .000 .00 !'
2.35E+10
0
0
# 'H+CH2CHO<=>CH3+HCO 2.200E+13 .000 .00 !'
2.20E+13
0
0
# 'H+CH2CHO<=>CH2CO+H2 1.100E+13 .000 .00 !'
1.10E+13
0
0
# 'OH+CH2CHO<=>H2O+CH2CO 1.200E+13 .000 .00 !'

1.20E+13
0
0
# 'OH+CH2CHO<=>HCO+CH2OH 3.010E+13 .000 .00 !'
3.01E+13
0
0
# 'CH3+C2H5(+M)<=>C3H8(+M) .9430E+13 .000 .00 !'
#
'LOW/ 2.710E+74 -16.82 13065.0 /'
#
'TROE/ .1527 291.0 2742.0 7748.0 /'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
9.43E+12
0
0
# 'O+C3H8<=>OH+C3H7 1.930E+05 2.680 3716.00 !'
1.93E+05
2.68
3716
# 'H+C3H8<=>C3H7+H2 1.320E+06 2.540 6756.00 !'
1.32E+06
2.54
6756
# 'OH+C3H8<=>C3H7+H2O 3.160E+07 1.800 934.00 !'
3.16E+07
1.8
934
# 'C3H7+H2O2<=>HO2+C3H8 3.780E+02 2.720 1500.00 !'
3.78E+02
2.72
1500
# 'CH3+C3H8<=>C3H7+CH4 0.903E+00 3.650 7154.00 !'
9.03E-01
3.65
7154
# 'CH3+C2H4(+M)<=>C3H7(+M) 2.550E+06 1.600 5700.00 !'
#
'LOW/ 3.00E+63 -14.6 18170./'
#
'TROE/ .1894 277.0 8748.0 7891.0 /'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
2.55E+06
1.6
5700
# 'O+C3H7<=>C2H5+CH2O 9.640E+13 .000 .00 !'
9.64E+13
0
0
# 'H+C3H7(+M)<=>C3H8(+M) 3.613E+13 .000 .00 !'
#
'LOW/ 4.420E+61 -13.545 11357.0/'
#
'TROE/ .315 369.0 3285.0 6667.0 /'
#
'H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
3.61E+13
0
0
# 'H+C3H7<=>CH3+C2H5 4.060E+06 2.190 890.00 !'
4.06E+06
2.19
890
# 'OH+C3H7<=>C2H5+CH2OH 2.410E+13 .000 .00 !'
2.41E+13
0
0
# 'HO2+C3H7<=>O2+C3H8 2.550E+10 0.255 -943.00 !'
2.55E+10
0.255
-943
# 'HO2+C3H7=>OH+C2H5+CH2O 2.410E+13 .000 .00 !'
2.41E+13
0
0
# 'CH3+C3H7<=>2C2H5 1.927E+13 -0.320 .00 !'
1.93E+13
-0.32
0
# 'END !'
END
escription SpreadSheet
Reaction
1.200E+17 -1.000
.00'
H2O/15.40/ CH4/ 2.00/ CO/ 1.75/ CO2/ 3.60/ C2H6/ 3.00/ AR/ .83/'
2O+M[H2(2.40);H2O(15.40);CH4(2);CO(1.75);CO2(3.60);C2H6(3);AR(.83)]=O2+M
7 -1.000 .00 !'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
O+H+M[H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.70)]=OH+M
2.700 6260.00 !'
O+H2=H+OH
13 .000 .00 !'
O+HO2=OH+O2
E+06 2.000 4000.00 !'
O+H2O2=OH+HO2
O+CH=H+CO
13 .000 .00 !'
O+CH2=H+HCO
E+13 .000 .00 !'
O+CH2(S)=H2+CO
E+13 .000 .00 !'
O+CH2(S)=H+HCO
+13 .000 .00 !'
O+CH3=H+CH2O
+09 1.500 8600.00 !'
O+CH4=OH+CH3
0E+10 .000 2385.00 !'
20E+14 .000 3000.00/'
O2/6.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/3.50/ C2H6/3.00/ AR/ .50/'
O+CO+M[LIN;6.020E+14;0;3000;H2(2);O2(6);H2O(6);CH4(2);CO(1.50);CO2(3.50);C2H6(3);AR(.50)]=CO2
13 .000 .00 !'
O+HCO=OH+CO
13 .000 .00 !'
O+HCO=H+CO2
E+13 .000 3540.00 !'
O+CH2O=OH+HCO
00E+13 .000 .00 !'
O+CH2OH=OH+CH2O
0E+13 .000 .00 !'
O+CH3O=OH+CH2O
.880E+05 2.500 3100.00 !'
O+CH3OH=OH+CH2OH
00E+05 2.500 5000.00 !'
O+CH3OH=OH+CH3O
13 .000 .00 !'
O+C2H=CH+CO
E+07 2.000 1900.00 !'
O+C2H2=H+HCCO
E+19 -1.410 28950.00 !'
O+C2H2=OH+C2H
E+06 2.000 1900.00 !'

O+C2H2=CO+CH2
0E+13 .000 .00 !'
O+C2H3=H+CH2CO
0E+07 1.830 220.00 !'
O+C2H4=CH3+HCO
40E+13 .000 .00 !'
O+C2H5=CH3+CH2O
E+07 1.920 5690.00 !'
O+C2H6=OH+C2H5
+14 .000 .00 !'
O+HCCO=H+2CO
000E+13 .000 8000.00 !'
O+CH2CO=OH+HCCO
50E+12 .000 1350.00 !'
O+CH2CO=CH2+CO2
12 .000 47800.00 !'
O2+CO=O+CO2
00E+14 .000 40000.00 !'
O2+CH2O=HO2+HCO
+18 -.860 .00 !'
H2O/ .00/ CO/ .75/ CO2/1.50/ C2H6/1.50/ N2/ .00/ AR/ .00/'
H+O2+M[O2(0);H2O(0);CO(.75);CO2(1.50);C2H6(1.50);N2(0);AR(0)]=HO2+M
19 -1.240 .00 !'
H+2O2=HO2+O2
.26E+18 -.760 .00 !'
H+O2+H2O=HO2+H2O
E+19 -1.240 .00 !'
H+O2+N2=HO2+N2
0E+17 -.800 .00 !'
H+O2+AR=HO2+AR
.6707 17041.00 !'
H+O2=O+OH
H2O/ .00/ CH4/2.00/ CO2/ .00/ C2H6/3.00/ AR/ .63/'

2H+M[H2(0);H2O(0);CH4(2);CO2(0);C2H6(3);AR(.63)]=H2+M
2H+H2=2H2
+19 -1.250 .00 !'
2H+H2O=H2+H2O
+20 -2.000 .00 !'
2H+CO2=H2+CO2
+22 -2.000 .00 !'
H2O/3.65/ CH4/2.00/ C2H6/3.00/ AR/ .38/'
H+OH+M[H2(.73);H2O(3.65);CH4(2);C2H6(3);AR(.38)]=H2O+M
2 .000 671.00 !'
H+HO2=O+H2O
3 .000 1068.00 !'
H+HO2=O2+H2
000 635.00 !'
H+HO2=2OH
+07 2.000 5200.00 !'

H+H2O2=HO2+H2
E+13 .000 3600.00 !'
H+H2O2=OH+H2O
H+CH=C+H2
00E+14 .000 .00 !'
040E+26 -2.760 1600.00/'
620 91.00 5836.00 8552.00/'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
H+CH2+M[TROE;1.040E+26;-2.760;1600;.5620;91;5836;8552;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.70)]=CH
+13 .000 .00 !'
H+CH2(S)=CH+H2
90E+15 -.534 536.00 !'
620E+33 -4.760 2440.00/'
830 74.00 2941.00 6964.00 /'
H2O/6.00/ CH4/3.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
H+CH3+M[TROE;2.620E+33;-4.760;2440;.7830;74;2941;6964;H2(2);H2O(6);CH4(3);CO(1.50);CO2(2);C2H6(3);AR(.70)]=CH
08 1.620 10840.00 !'
H+CH4=CH3+H2
.090E+12 .480 -260.00 !'
470E+24 -2.570 425.00/'
824 271.00 2755.00 6570.00 /'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
H+HCO+M[TROE;2.470E+24;-2.570;425;.7824;271;2755;6570;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.70)]=CH
13 .000 .00 !'
H+HCO=H2+CO
) 5.400E+11 .454 3600.00 !'
270E+32 -4.820 6530.00/'
187 103.00 1291.00 4160.00 /'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/'
H+CH2O+M[TROE;1.270E+32;-4.820;6530;.7187;103;1291;4160;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3)]=CH2OH
5.400E+11 .454 2600.00 !'
200E+30 -4.800 5560.00/'
580 94.00 1555.00 4200.00 /'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/'
H+CH2O+M[TROE;2.200E+30;-4.800;5560;.7580;94;1555;4200;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3)]=CH3O
E+07 1.900 2742.00 !'
H+CH2O=HCO+H2
M) 1.055E+12 .500 86.00 !'
360E+31 -4.650 5080.00/'
00 100.00 90000.0 10000.0 /'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/'
H+CH2OH+M[TROE;4.360E+31;-4.650;5080;.600;100;90000.0;10000.0;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3)]=CH
00E+13 .000 .00 !'
H+CH2OH=H2+CH2O
0E+11 .650 -284.00 !'
H+CH2OH=OH+CH3
3.280E+13 -.090 610.00 !'
H+CH2OH=CH2(S)+H2O
) 2.430E+12 .515 50.00 !'
660E+41 -7.440 14080.0/'

00 100.00 90000.0 10000.00 /'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/'
H+CH3O+M[TROE;4.660E+41;-7.440;14080.0;.700;100;90000.0;10000.00;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3)]=
0E+07 1.630 1924.00 !'
H+CH3O=H+CH2OH
0E+13 .000 .00 !'
H+CH3O=H2+CH2O
E+12 .500 -110.00 !'
H+CH3O=OH+CH3
620E+14 -.230 1070.00 !'
H+CH3O=CH2(S)+H2O
700E+07 2.100 4870.00 !'
H+CH3OH=CH2OH+H2
00E+06 2.100 4870.00 !'
H+CH3OH=CH3O+H2
000E+17 -1.000 .00 !'
750E+33 -4.800 1900.00/'
464 132.00 1315.00 5566.00 /'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
H+C2H+M[TROE;3.750E+33;-4.800;1900;.6464;132;1315;5566;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.70)]=C2
.600E+12 .000 2400.00 !'
800E+40 -7.270 7220.00/'
507 98.50 1302.00 4167.00 /'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
H+C2H2+M[TROE;3.800E+40;-7.270;7220;.7507;98.50;1302;4167;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.70)]=
.080E+12 .270 280.00 !'
400E+30 -3.860 3320.00/'
820 207.50 2663.00 6095.00 /'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
H+C2H3+M[TROE;1.400E+30;-3.860;3320;.7820;207.50;2663;6095;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.70)
E+13 .000 .00 !'
H+C2H3=H2+C2H2
.540E+12 .454 1820.00 !'
600E+42 -7.620 6970.00/'
753 210.00 984.00 4374.00 /'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
H+C2H4+M[TROE;0.600E+42;-7.620;6970;.9753;210;984;4374;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.70)]=C2
E+06 2.530 12240.00 !'
H+C2H4=C2H3+H2
.210E+17 -.990 1580.00 !'
990E+41 -7.080 6685.00/'
422 125.00 2219.00 6882.00 /'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
H+C2H5+M[TROE;1.990E+41;-7.080;6685;.8422;125;2219;6882;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.70)]=C
E+12 .000 .00 !'
H+C2H5=H2+C2H4
E+08 1.900 7530.00 !'
H+C2H6=C2H5+H2
00E+14 .000 .00 !'
H+HCCO=CH2(S)+CO
00E+13 .000 8000.00 !'

H+CH2CO=HCCO+H2
0E+13 .000 3428.00 !'
H+CH2CO=CH3+CO
000E+13 .000 .00 !'
H+HCCOH=H+CH2CO
300E+07 1.500 79600.00 !'
070E+27 -3.420 84350.00/'
320 197.00 1540.00 10300.00 /'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
H2+CO+M[TROE;5.070E+27;-3.420;84350.00;.9320;197;1540;10300.00;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR
8 1.510 3430.00 !'
OH+H2=H+H2O
0E+13 -.370 .00 !'
300E+18 -.900 -1700.00/'
346 94.00 1756.00 5182.00 /'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
2OH+M[TROE;2.300E+18;-.900;-1700;.7346;94;1756;5182;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.70)]=H2O2
2.400 -2110.00 !'
2OH=O+H2O
E+13 .000 -500.00 !'
OH+HO2=O2+H2O
2.000E+12 .000 427.00'
OH+H2O2=HO2+H2O
1.700E+18 .000 29410.00'
OH+H2O2=HO2+H2O
5.000E+13 .000
.00'
OH+C=H+CO
13 .000 .00 !'
OH+CH=H+HCO
E+13 .000 .00 !'
OH+CH2=H+CH2O
E+07 2.000 3000.00 !'
OH+CH2=CH+H2O
00E+13 .000 .00 !'
OH+CH2(S)=H+CH2O
) 2.790E+18 -1.430 1330.00 !'
000E+36 -5.920 3140.00/'
120 195.0 5900.00 6394.00/'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/'
OH+CH3+M[TROE;4.000E+36;-5.920;3140;.4120;195;5900;6394;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3)]=CH3OH
0E+07 1.600 5420.00 !'
OH+CH3=CH2+H2O
440E+17 -1.340 1417.00 !'
OH+CH3=CH2(S)+H2O
0E+08 1.600 3120.00 !'
OH+CH4=CH3+H2O
07 1.228 70.00 !'
OH+CO=H+CO2
E+13 .000 .00 !'
OH+HCO=H2O+CO
30E+09 1.180 -447.00 !'
OH+CH2O=HCO+H2O
5.000E+12 .000 .00 !'
OH+CH2OH=H2O+CH2O
000E+12 .000 .00 !'
OH+CH3O=H2O+CH2O
O 1.440E+06 2.000 -840.00 !'
OH+CH3OH=CH2OH+H2O
6.300E+06 2.000 1500.00 !'
OH+CH3OH=CH3O+H2O
E+13 .000 .00 !'
OH+C2H=H+HCCO
80E-04 4.500 -1000.00 !'
OH+C2H2=H+CH2CO
40E+05 2.300 13500.00 !'
OH+C2H2=H+HCCOH
70E+07 2.000 14000.00 !'
OH+C2H2=C2H+H2O
0E-04 4.000 -2000.00 !'
OH+C2H2=CH3+CO
000E+12 .000 .00 !'
OH+C2H3=H2O+C2H2
600E+06 2.000 2500.00 !'
OH+C2H4=C2H3+H2O
540E+06 2.120 870.00 !'
OH+C2H6=C2H5+H2O
7.500E+12 .000 2000.00 !'
OH+CH2CO=HCCO+H2O
11 .000 -1630.00 !'
2HO2=O2+H2O2
4.200E+14 .000 12000.00'
2HO2=O2+H2O2
2.000E+13 .000
.00'
HO2+CH2=OH+CH2O
E+12 .000 .00 !'
HO2+CH3=O2+CH4
80E+13 .000 .00 !'
HO2+CH3=OH+CH3O
E+14 .000 23600.00 !'
HO2+CO=OH+CO2
5.600E+06 2.000 12000.00 !'
HO2+CH2O=HCO+H2O2
000 576.00 !'
C+O2=O+CO
C+CH2=H+C2H
13 .000 .00 !'

C+CH3=H+C2H2
13 .000 .00 !'
CH+O2=O+HCO
4 .000 3110.00 !'
CH+H2=H+CH2
E+12 .000 -755.00 !'
CH+H2O=H+CH2O
+13 .000 .00 !'
CH+CH2=H+C2H2
+13 .000 .00 !'
CH+CH3=H+C2H3
+13 .000 .00 !'
CH+CH4=H+C2H4
5.000E+13 .000 .00 !'
690E+28 -3.740 1936.00/'
757 237.00 1652.00 5069.00 /'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
CH+CO+M[TROE;2.690E+28;-3.740;1936;.5757;237;1652;5069;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.70)]=H
E+14 .000 15792.00 !'
CH+CO2=HCO+CO
60E+13 .000 -515.00 !'
CH+CH2O=H+CH2CO
00E+13 .000 .00 !'
CH+HCCO=CO+C2H2
E+12 .000 1500.00 !'
CH2+O2==>OH+H+CO
05 2.000 7230.00 !'
CH2+H2=H+CH3
15 .000 11944.00 !'
2CH2=H2+C2H2
E+13 .000 .00 !'
CH2+CH3=H+C2H4
06 2.000 8270.00 !'
CH2+CH4=2CH3
) 8.100E+11 .500 4510.00 !'
690E+33 -5.110 7095.00/'
907 275.00 1226.00 5185.00 /'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
CH2+CO+M[TROE;2.690E+33;-5.110;7095;.5907;275;1226;5185;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.70)]=C
000E+13 .000 .00 !'
CH2+HCCO=C2H3+CO
0E+13 .000 600.00 !'
CH2(S)+N2=CH2+N2
00E+12 .000 600.00 !'
CH2(S)+AR=CH2+AR
800E+13 .000 .00 !'
CH2(S)+O2=H+OH+CO
00E+13 .000 .00 !'
CH2(S)+O2=CO+H2O
E+13 .000 .00 !'
CH2(S)+H2=CH3+H
H(+M) 4.820E+17 -1.160 1145.00 !'
880E+38 -6.360 5040.00/'
027 208.00 3922.00 10180.0 /'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/'
CH2(S)+H2O+M[TROE;1.880E+38;-6.360;5040;.6027;208;3922;10180.0;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3)]=C
3.000E+13 .000 .00 !'
CH2(S)+H2O=CH2+H2O
200E+13 .000 -570.00 !'
CH2(S)+CH3=H+C2H4
E+13 .000 -570.00 !'
CH2(S)+CH4=2CH3
00E+12 .000 .00 !'
CH2(S)+CO=CH2+CO
7.000E+12 .000 .00 !'
CH2(S)+CO2=CH2+CO2
1.400E+13 .000 .00 !'
CH2(S)+CO2=CO+CH2O
5 4.000E+13 .000 -550.00 !'
CH2(S)+C2H6=CH3+C2H5
E+13 .000 30480.00 !'
CH3+O2=O+CH3O
0E+12 .000 20315.00 !'
CH3+O2=OH+CH2O
450E+04 2.470 5180.00 !'
CH3+H2O2=HO2+CH4
70E+16 -1.180 654.00 !'
400E+41 -7.030 2762.00/'
190 73.20 1180.00 9999.00 /'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
2CH3+M[TROE;3.400E+41;-7.030;2762;.6190;73.20;1180;9999;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.70)]=C2
2 .100 10600.00 !'
2CH3=H+C2H5
8E+13 .000 .00 !'
CH3+HCO=CH4+CO
320E+03 2.810 5860.00 !'
CH3+CH2O=HCO+CH4
H4 3.000E+07 1.500 9940.00 !'
CH3+CH3OH=CH2OH+CH4
4 1.000E+07 1.500 9940.00 !'
CH3+CH3OH=CH3O+CH4
270E+05 2.000 9200.00 !'
CH3+C2H4=C2H3+CH4
140E+06 1.740 10450.00 !'
CH3+C2H6=C2H5+CH4
.500E+18 -1.000 17000.00 !'
HCO+H2O=H+CO+H2O
+17 -1.000 17000.00 !'
H2O/ .00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/'
HCO+M[H2(2);H2O(0);CH4(2);CO(1.50);CO2(2);C2H6(3)]=H+CO+M
E+12 .000 400.00 !'
HCO+O2=HO2+CO
1.800E+13 .000 900.00 !'
CH2OH+O2=HO2+CH2O
280E-13 7.600 -3530.00 !'
CH3O+O2=HO2+CH2O
E+13 .000 -755.00 !'
C2H+O2=HCO+CO
+10 0.900 1993.00 !'
C2H+H2=H+C2H2
580E+16 -1.390 1015.00 !'
C2H3+O2=HCO+CH2O
8.000E+12 .440 86770.00 !'
580E+51 -9.300 97800.00/'
345 180.00 1035.00 5417.00 /'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
C2H4+M[TROE;1.580E+51;-9.300;97800.00;.7345;180;1035;5417;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.70)]=
00E+11 .000 3875.00 !'
C2H5+O2=HO2+C2H4
0E+12 .000 854.00 !'
HCCO+O2=OH+2CO
0E+13 .000 .00 !'
2HCCO=2CO+C2H2
000 355.00 !'
N+NO=N2+O
1.000 6500.00 !'
N+O2=NO+O
000 385.00 !'
N+OH=NO+H
2 .000 10810.00 !'
N2O+O=N2+O2
000 23150.00 !'
N2O+O=2NO
4 .000 18880.00 !'
N2O+H=N2+OH
E+12 .000 21060.00 !'
N2O+OH=N2+HO2
0E+10 .000 56020.00 !'
370E+14 .000 56640.00/'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .625/'
N2O+M[LIN;6.370E+14;0;56640.00;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.625)]=N2+O
E+12 .000 -480.00 !'
HO2+NO=NO2+OH
+20 -1.410 .00 !'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
NO+O+M[H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.70)]=NO2+M
12 .000 -240.00 !'
NO2+O=NO+O2
14 .000 360.00 !'
NO2+H=NO+OH
NH+O=NO+H
000 330.00 !'

NH+H=N+H2
13 .000 .00 !'
NH+OH=HNO+H
09 1.200 .00 !'
NH+OH=N+H2O
05 2.000 6500.00 !'
NH+O2=HNO+O
06 1.500 100.00 !'
NH+O2=NO+OH
NH+N=N2+H
E+13 .000 13850.00 !'
NH+H2O=HNO+H2
13 -.230 .00 !'
NH+NO=N2+OH
14 -.450 .00 !'
NH+NO=N2O+H
12 .000 .00 !'
NH2+O=OH+NH
13 .000 .00 !'
NH2+O=H+HNO
3 .000 3650.00 !'
NH2+H=NH+H2
E+07 1.500 -460.00 !'
NH2+OH=NH+H2O
NNH=N2+H
+14 -.110 4980.00 !'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
NNH+M[H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.70)]=N2+H+M
E+12 .000 .00 !'
NNH+O2=HO2+N2
13 .000 .00 !'
NNH+O=OH+N2
13 .000 .00 !'
NNH+O=NH+NO
NNH+H=H2+N2
E+13 .000 .00 !'
NNH+OH=H2O+N2
E+13 .000 .00 !'
NNH+CH3=CH4+N2
+19 -1.320 740.00 !'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
H+NO+M[H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.70)]=HNO+M
13 .000 .00 !'
HNO+O=NO+OH
11 .720 660.00 !'
HNO+H=H2+NO
E+07 1.900 -950.00 !'
HNO+OH=NO+H2O
E+13 .000 13000.00 !'
HNO+O2=HO2+NO
CN+O=CO+N
13 .000 .00 !'
CN+OH=NCO+H
E+12 .000 7460.00 !'
CN+H2O=HCN+OH
12 .000 -440.00 !'
CN+O2=NCO+O
5 2.450 2240.00 !'
CN+H2=HCN+H
13 .000 .00 !'
NCO+O=NO+CO
13 .000 .00 !'
NCO+H=NH+CO
50E+13 .000 .00 !'
NCO+OH=NO+H+CO
13 .000 .00 !'
NCO+N=N2+CO
E+12 .000 20000.00 !'
NCO+O2=NO+CO2
+14 .000 54050.00 !'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
NCO+M[H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.70)]=N+CO+M
E+17 -1.520 740.00 !'
NCO+NO=N2O+CO
E+18 -2.000 800.00 !'
NCO+NO=N2+CO2
+29 -3.300 126600.00 !'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
HCN+M[H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.70)]=H+CN+M
04 2.640 4980.00 !'
HCN+O=NCO+H
03 2.640 4980.00 !'
HCN+O=NH+CO
09 1.580 26600.00 !'
HCN+O=CN+OH
E+06 2.030 13370.00 !'
HCN+OH=HOCN+H
E+03 2.260 6400.00 !'
HCN+OH=HNCO+H
E+02 2.560 9000.00 !'
HCN+OH=NH2+CO
.300E+13 .000 .00 !'
400E+26 -3.400 1900.00/'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
H+HCN+M[LIN;1.400E+26;-3.400;1900;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.70)]=H2CN
+13 .000 400.00 !'
H2CN+N=N2+CH2
000 46020.00 !'

C+N2=CN+N
9 0.880 20130.00 !'
CH+N2=HCN+N
.100E+12 .150 .00 !'
300E+25 -3.160 740.00/'
670 235.00 2117.00 4536.00 /'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ 1.0/'
CH+N2+M[TROE;1.300E+25;-3.160;740;.6670;235;2117;4536;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(1)]=HCNN
E+13 .000 74000.00 !'
CH2+N2=HCN+NH
00E+11 .000 65000.00 !'
CH2(S)+N2=NH+HCN
C+NO=CN+O
C+NO=CO+N
13 .000 .00 !'

CH+NO=HCN+O
13 .000 .00 !'

CH+NO=H+NCO
13 .000 .00 !'
CH+NO=N+HCO
E+17 -1.380 1270.00 !'
CH2+NO=H+HNCO
E+14 -.690 760.00 !'
CH2+NO=OH+HCN
E+13 -.360 580.00 !'
CH2+NO=H+HCNO
00E+17 -1.380 1270.00 !'
CH2(S)+NO=H+HNCO
00E+14 -.690 760.00 !'
CH2(S)+NO=OH+HCN
00E+13 -.360 580.00 !'
CH2(S)+NO=H+HCNO
0E+13 .000 28800.00 !'
CH3+NO=HCN+H2O
0E+12 .000 21750.00 !'
CH3+NO=H2CN+OH
0E+13 .000 .00 !'
HCNN+O=CO+H+N2
E+12 .000 .00 !'
HCNN+O=HCN+NO
200E+13 .000 .00 !'
HCNN+O2=O+HCO+N2
.200E+13 .000 .00 !'
HCNN+OH=H+HCO+N2
E+14 .000 .00 !'
HCNN+H=CH2+N2
E+07 1.410 8500.00 !'
HNCO+O=NH+CO2
E+08 1.570 44000.00 !'

HNCO+O=HNO+CO
E+06 2.110 11400.00 !'
HNCO+O=NCO+OH
E+07 1.700 3800.00 !'
HNCO+H=NH2+CO
E+05 2.500 13300.00 !'
HNCO+H=H2+NCO
300E+07 1.500 3600.00 !'
HNCO+OH=NCO+H2O
00E+06 1.500 3600.00 !'
HNCO+OH=NH2+CO2
80E+16 .000 84720.00 !'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
HNCO+M[H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.70)]=NH+CO+M
E+15 -.690 2850.00 !'
HCNO+H=H+HNCO
E+11 .180 2120.00 !'
HCNO+H=OH+HCN
E+14 -.750 2890.00 !'
HCNO+H=NH2+CO
E+07 2.000 2000.00 !'
HOCN+H=H+HNCO
900E+13 .000 .00 !'
HCCO+NO=HCNO+CO
14 -.310 290.00 !'
CH3+N=H2CN+H
12 .150 -90.00 !'
CH3+N=HCN+H2
05 2.400 9915.00 !'
NH3+H=NH2+H2
0E+07 1.600 955.00 !'
NH3+OH=NH2+H2O
+06 1.940 6460.00 !'
NH3+O=NH2+OH
E+13 .000 14350.00 !'
NH+CO2=HNO+CO
E+15 -0.752 345.00 !'
CN+NO2=NCO+NO
50E+12 .000 -705.00 !'
NCO+NO2=N2O+CO2
12 .000 11300.00 !'
N+CO2=NO+CO
+13 .000 .00 !'
O+CH3==>H+H2+CO
00E+06 1.830 220.00 !'
O+C2H4=H+CH2CHO
96E+14 .000 .00 !'
O+C2H5=H+CH3CHO
E+16 .000 17330.00 !'
OH+HO2=O2+H2O
8.000E+09 .500 -1755.00'

OH+CH3==>H2+CH2O
70E+12 .430 -370.00 !'
20E+25 -2.80 590.0 /'
78 122.0 2535.0 9365.0 /'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
CH+H2+M[TROE;4.820E+25;-2.80;590;.578;122;2535;9365;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.70)]=CH3
12 .000 1500.00 !'
CH2+O2==>2H+CO2
E+12 .000 1500.00 !'
CH2+O2=O+CH2O
E+14 .000 10989.00 !'
CH2+CH2==>2H+C2H2
820E+10 .250 -935.00 !'
CH2(S)+H2O==>H2+CH2O
030E+11 .290 11.00 !'
C2H3+O2=O+CH2CHO
37E+06 1.610 -384.00 !'
C2H3+O2=HO2+C2H2
O 2.920E+12 .000 1808.00 !'
O+CH3CHO=OH+CH2CHO
2.920E+12 .000 1808.00 !'
O+CH3CHO==>OH+CH3+CO
CO 3.010E+13 .000 39150.00 !'
O2+CH3CHO==>HO2+CH3+CO
2 2.050E+09 1.160 2405.00 !'
H+CH3CHO=CH2CHO+H2
2.050E+09 1.160 2405.00 !'
H+CH3CHO==>CH3+H2+CO
CO 2.343E+10 0.730 -1113.00 !'
OH+CH3CHO==>CH3+H2O+CO
2+CO 3.010E+12 .000 11923.00 !'
HO2+CH3CHO==>CH3+H2O2+CO
CO 2.720E+06 1.770 5920.00 !'
CH3+CH3CHO==>CH3+CH4+CO
(+M) 4.865E+11 0.422 -1755.00 !'
12E+42 -7.63 3854.0/'
465 201.0 1773.0 5333.0 /'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
H+CH2CO+M[TROE;1.012E+42;-7.63;3854;0.465;201;1773;5333;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.70)]=
1.500E+14 .000 .00 !'
O+CH2CHO==>H+CH2+CO2
2O 1.810E+10 .000 .00 !'
O2+CH2CHO==>OH+CO+CH2O
.350E+10 .000 .00 !'
O2+CH2CHO==>OH+2HCO
.200E+13 .000 .00 !'
H+CH2CHO=CH3+HCO
1.100E+13 .000 .00 !'
H+CH2CHO=CH2CO+H2
CO 1.200E+13 .000 .00 !'

OH+CH2CHO=H2O+CH2CO
OH 3.010E+13 .000 .00 !'
OH+CH2CHO=HCO+CH2OH
M) .9430E+13 .000 .00 !'
10E+74 -16.82 13065.0 /'
527 291.0 2742.0 7748.0 /'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
CH3+C2H5+M[TROE;2.710E+74;-16.82;13065.0;.1527;291;2742;7748;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.
E+05 2.680 3716.00 !'
O+C3H8=OH+C3H7
E+06 2.540 6756.00 !'
H+C3H8=C3H7+H2
160E+07 1.800 934.00 !'
OH+C3H8=C3H7+H2O
3.780E+02 2.720 1500.00 !'
C3H7+H2O2=HO2+C3H8
903E+00 3.650 7154.00 !'
CH3+C3H8=C3H7+CH4
M) 2.550E+06 1.600 5700.00 !'
0E+63 -14.6 18170./'
894 277.0 8748.0 7891.0 /'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
CH3+C2H4+M[TROE;3.00E+63;-14.6;18170.;.1894;277;8748;7891;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.70)]
640E+13 .000 .00 !'
O+C3H7=C2H5+CH2O
.613E+13 .000 .00 !'
20E+61 -13.545 11357.0/'
15 369.0 3285.0 6667.0 /'
H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/'
H+C3H7+M[TROE;4.420E+61;-13.545;11357.0;.315;369;3285;6667;H2(2);H2O(6);CH4(2);CO(1.50);CO2(2);C2H6(3);AR(.70)
0E+06 2.190 890.00 !'
H+C3H7=CH3+C2H5
2.410E+13 .000 .00 !'
OH+C3H7=C2H5+CH2OH
50E+10 0.255 -943.00 !'
HO2+C3H7=O2+C3H8
2O 2.410E+13 .000 .00 !'
HO2+C3H7==>OH+C2H5+CH2O
E+13 -0.320 .00 !'
CH3+C3H7=2C2H5
Comments
2H6(3);AR(.70)]=CH3
2H6(3);AR(.70)]=CH4
2H6(3);AR(.70)]=CH2O
);C2H6(3)]=CH2OH
C2H6(3)]=CH3O
CO2(2);C2H6(3)]=CH3OH
0);CO2(2);C2H6(3)]=CH3OH
C2H6(3);AR(.70)]=C2H2
2);C2H6(3);AR(.70)]=C2H3
(2);C2H6(3);AR(.70)]=C2H4
C2H6(3);AR(.70)]=C2H5
;C2H6(3);AR(.70)]=C2H6
CO2(2);C2H6(3);AR(.70)]=CH2O
6(3);AR(.70)]=H2O2
);C2H6(3)]=CH3OH
C2H6(3);AR(.70)]=HCCO
;C2H6(3);AR(.70)]=CH2CO
;CO2(2);C2H6(3)]=CH3OH
C2H6(3);AR(.70)]=C2H6
2);C2H6(3);AR(.70)]=H2+C2H2
2H6(3);AR(1)]=HCNN
6(3);AR(.70)]=CH3
);C2H6(3);AR(.70)]=CH2CHO
O2(2);C2H6(3);AR(.70)]=C3H8
2);C2H6(3);AR(.70)]=C3H7
(2);C2H6(3);AR(.70)]=C3H8
#
# Species
#
O
O2
H
OH
H2
HO2
H2O2
CH
CO
CH2
HCO
CH2(S)
CH3
CH2O
CH4
CO2
CH2OH
CH3O
CH3OH
C2H
C2H2
HCCO
C2H3
CH2CO
C2H4
C2H5
C2H6
H2O
N2
AR
C
HCCOH
N
NO
N2O
NO2
NH
HNO
NH2
NNH
CN
NCO
HCN
HOCN
HNCO
H2CN
HCNN
HCNO
NH3
CH2CHO
CH3CHO
Species Description Spreadsheet

Residence
Time in CSTR(s)
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
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
0
0
Initial
Conc.
0.00E+00
8.39E-09
0
0
0
0
0
0
0.00E+00
0
0
0.00E+00
0
0
0.00E+00
0
0
0
0
0
0
0
0
0
0
0
2.35E-09
0
0
7.94E-06
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
Display Output
(Y/N) ?
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
YES
External
Conc.
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
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
0
SSA ?
(Y/N)
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
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
C3H8
C3H7
END
0
0
0 YES
0 YES
0 No
0 No
Constant File?
(Filename/#/No) Comments
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
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
No
Parameter Description SpreadSheet
#
# See .pdf file for an explanation of each field
#
# Starting Integration Time
Maximum Integration Time
1.00E-08
Ea UNITS (Kcal, KJ,J,CAL,K)
1.00E-07 CAL
#
#Temperature (K) or Filename
Pressure (Constant ? (Yes/No) ) Volume Profile (Filename/No)
1794 No
# Simulation Length:
#
DAYS
Hours
No
Minutes
0
0
0
#
#hv(filename)
Sampling Interval (s)
Percent(%)
None1
1
0
# THESE FIELDS BELOW (X0) ARE CURRENTLY NOT USED, LEAVE THEM AT 0
# CSTR/PFR inlet Flow
Temperature
X0
X0
0
0
0
#
END
SpreadSheet
X0
Conc. Units(moles/L, moles/cc, molecules/cc)
MOLES/CM^3
External Heat Source/Sink # OR Profile (Filename)
X0
OR Condutance:Extern. Temp OR Conductance:Ext.Temp. P
No
Seconds
PicoSeconds
3.50E-04
Accuracy
0
X0
1.00E-04
X0
X0
0
#
# Database
# FileName
#thermo30.dat
gritherm.dat
#1995_NASA_data
#1994_thermo.dat
#1995_Burcat_data
#freetest.dat
END
Thermodynamic Description Spreadsheet

INPUT
F18:IG6:F20:F1:F10:F10:F10:NL:F15:F15:F15:F15:F15:NL:F15:F15
FREE
F18:IG26:F1:F10:F10:F14:NL:F15:F15:F15:F15:F15:NL:F15:F15:F1
FREE
on Spreadsheet
MAP
SP:CMW:PH:LT:HT:CT:HA1:HA2:HA3:HA4:HA5:HA6:HA7:LA1:LA2:LA3:LA4:LA5:LA6:LA7
SP:LT:CT:HT:LA1:LA2:LA3:LA4:LA5:LA6:LA7:HA1:HA2:HA3:HA4:HA5:HA6:HA7:MW:CMW
SP:PH:LT:HT:MW:HA1:HA2:HA3:HA4:HA5:HA6:HA7:LA1:LA2:LA3:LA4:LA5:LA6:LA7
SP:PH:LT:HT:CT:HA1:HA2:HA3:HA4:HA5:HA6:HA7:LA1:LA2:LA3:LA4:LA5:LA6:LA7
SP:PH:LT:HT:MW:HA1:HA2:HA3:HA4:HA5:HA6:HA7:LA1:LA2:LA3:LA4:LA5:LA6:LA7
SP:PH:LT:CT:HT:LA1:LA2:LA3:LA4:LA5:LA6:LA7:HA1:HA2:HA3:HA4:HA5:HA6:HA7
Database
Special Switches
U1234:FLUFF:CHF
NONE
U1234:UPPL:CHF:FLUFF:SET(CT=1000):SYN
U1234:UPPL:CHF:UPC
U1234:UPPL:CHF:FLUFF:PHS:SET(CT=1000):SYN
NONE
Species
Reservation List
O2,O3,O
# Species
#
LOW TEMP. COMMON T
HI TEMP.
O
200
1000
3500
O2
200
1000
3500
H
200
1000
3500
OH
200
1000
3500
H2
200
1000
3500
HO2
200
1000
3500
H2O2
200
1000
3500
CH
200
1000
3500
CO
200
1000
3500
CH2
200
1000
3500
HCO
200
1000
3500
CH2(S)
200
1000
3500
CH3
200
1000
3500
CH2O
200
1000
3500
CH4
200
1000
3500
CO2
200
1000
3500
CH2OH
200
1000
3500
CH3O
300
1000
3000
CH3OH
200
1000
3500
C2H
200
1000
3500
C2H2
200
1000
3500
HCCO
300
1000
4000
C2H3
200
1000
3500
CH2CO
200
1000
3500
C2H4
200
1000
3500
C2H5
200
1000
3500
C2H6
200
1000
3500
H2O
200
1000
3500
N2
300
1000
5000
AR
300
1000
5000
C
200
1000
3500
HCCOH
300
1000
5000
N
200
1000
6000
NO
200
1000
6000
N2O
200
1000
6000
NO2
200
1000
6000
NH
200
1000
6000
HNO
200
1000
6000
NH2
200
1000
6000
NNH
200
1000
6000
CN
200
1000
6000
NCO
200
1000
6000
HCN
200
1000
6000
HOCN
300
1368
5000
HNCO
300
1478
5000
H2CN
300
1000
4000
HCNN
300
1000
5000
HCNO
300
1382
5000
NH3
200
1000
6000
CH2CHO
300
1000
5000
CH3CHO
200
1000
6000
C3H8
300
1000
5000
Thermodynamic coeffic. (LOW then HIGH)

LA1
LA2
LA3
LA4
LA5
3.168267 -3.28E-03 6.64E-06 -6.13E-09 2.11E-12
3.782456 -3.00E-03 9.85E-06 -9.68E-09 3.24E-12
2.5 7.05E-13 -2.00E-15 2.30E-18 -9.28E-22
3.992015 -2.40E-03 4.62E-06 -3.88E-09 1.36E-12
2.344331 7.98E-03 -1.95E-05 2.02E-08 -7.38E-12
4.301798 -4.75E-03 2.12E-05 -2.43E-08 9.29E-12
4.276113 -5.43E-04 1.67E-05 -2.16E-08 8.62E-12
3.489817 3.24E-04 -1.69E-06 3.16E-09 -1.41E-12
3.579533 -6.10E-04 1.02E-06 9.07E-10 -9.04E-13
3.762679 9.69E-04 2.79E-06 -3.85E-09 1.69E-12
4.221186 -3.24E-03 1.38E-05 -1.33E-08 4.34E-12
4.198604 -2.37E-03 8.23E-06 -6.69E-09 1.94E-12
3.67359 2.01E-03 5.73E-06 -6.87E-09 2.54E-12
4.793723 -9.91E-03 3.73E-05 -3.79E-08 1.32E-11
5.149876 -1.37E-02 4.92E-05 -4.85E-08 1.67E-11
2.356774 8.98E-03 -7.12E-06 2.46E-09 -1.44E-13
3.863889 5.60E-03 5.93E-06 -1.05E-08 4.37E-12
2.106204 7.22E-03 5.34E-06 -7.38E-09 2.08E-12
5.715396 -1.52E-02 6.52E-05 -7.11E-08 2.61E-11
2.889657 1.34E-02 -2.85E-05 2.95E-08 -1.09E-11
0.808681 2.34E-02 -3.55E-05 2.80E-08 -8.50E-12
2.251721 1.77E-02 -2.37E-05 1.73E-08 -5.07E-12
3.212466 1.51E-03 2.59E-05 -3.58E-08 1.47E-11
2.135836 1.81E-02 -1.74E-05 9.34E-09 -2.01E-12
3.959201 -7.57E-03 5.71E-05 -6.92E-08 2.70E-11
4.306466 -4.19E-03 4.97E-05 -5.99E-08 2.31E-11
This worksheet w
4.291425 -5.50E-03 5.99E-05 -7.08E-08 2.69E-11
text file named g
4.198641 -2.04E-03 6.52E-06 -5.49E-09 1.77E-12
the worksheet ta
3.298677 1.41E-03 -3.96E-06 5.64E-09 -2.44E-12
older,
2.5
0
0
0
0 harder to h
gritherm.dat
was
2.55424 -3.22E-04 7.34E-07 -7.32E-10 2.67E-13
using the '-OF' K
1.242373 3.11E-02 -5.09E-05 4.31E-08 -1.40E-11
further
details.
2.5
0
0
0
0
4.218476 -4.64E-03 1.10E-05 -9.34E-09 2.80E-12
2.25715 1.13E-02 -1.37E-05 9.68E-09 -2.93E-12
3.944031 -1.59E-03 1.67E-05 -2.05E-08 7.84E-12
3.492909 3.12E-04 -1.49E-06 2.48E-09 -1.04E-12
4.533492 -5.67E-03 1.85E-05 -1.71E-08 5.55E-12
4.204003 -2.11E-03 7.11E-06 -5.61E-09 1.64E-12
4.344693 -4.85E-03 2.01E-05 -2.17E-08 7.95E-12
3.612935 -9.56E-04 2.14E-06 -3.15E-10 -4.64E-13
2.826931 8.81E-03 -8.39E-06 4.80E-09 -1.33E-12
2.258989 1.01E-02 -1.34E-05 1.01E-08 -3.01E-12
3.78605 6.89E-03 -3.21E-06 5.17E-10 1.19E-14
3.630963 7.30E-03 -2.28E-06 -6.61E-10 3.62E-13
2.851661 5.70E-03 1.07E-06 -1.62E-09 -2.35E-13
2.524319 1.60E-02 -1.88E-05 1.21E-08 -3.24E-12
2.64728 1.28E-02 -1.05E-05 4.41E-09 -7.58E-13
4.286027 -4.66E-03 2.17E-05 -2.28E-08 8.26E-12
3.409062 1.07E-02 1.89E-06 -7.16E-09 2.87E-12
4.72946 -3.19E-03 4.75E-05 -5.75E-08 2.19E-11
0.933554 2.64E-02 6.11E-06 -2.20E-08 9.51E-12
C3H7
END
300
1000
5000 1.051552 2.60E-02 2.38E-06 -1.96E-08 9.37E-12
LA6
LA7
HA1
HA2
HA3
HA4
29122.26 2.051933 2.569421 -8.60E-05 4.19E-08 -1.00E-11
-1063.944 3.657676 3.282538 1.48E-03 -7.58E-07 2.09E-10
25473.66 -0.446683
2.5 -2.31E-11 1.62E-14 -4.74E-18
3615.081 -0.103925 3.092888 5.48E-04 1.27E-07 -8.79E-11
-917.9352 0.68301 3.337279 -4.94E-05 4.99E-07 -1.80E-10
294.808 3.716662 4.017211 2.24E-03 -6.34E-07 1.14E-10
-17702.58 3.435051 4.165003 4.91E-03 -1.90E-06 3.71E-10
70797.29 2.084011 2.878465 9.71E-04 1.44E-07 -1.31E-10
-14344.09 3.508409 2.715186 2.06E-03 -9.99E-07 2.30E-10
46004.04 1.562532 2.874101 3.66E-03 -1.41E-06 2.60E-10
3839.565 3.394372 2.772174 4.96E-03 -2.48E-06 5.89E-10
50496.82 -0.769119 2.292038 4.66E-03 -2.01E-06 4.18E-10
16445 1.604564 2.285718 7.24E-03 -2.99E-06 5.96E-10
-14309 0.602813 1.76069 9.20E-03 -4.42E-06 1.01E-09
-10246.65 -4.641304 7.49E-02 1.34E-02 -5.73E-06 1.22E-09
-48372 9.901052 3.85746 4.41E-03 -2.21E-06 5.23E-10
-3193.914 5.473022 3.692666 8.65E-03 -3.75E-06 7.87E-10
978.6011 13.15218 3.770799 7.87E-03 -2.66E-06 3.94E-10
-25642.77 -1.504098 1.789708 1.41E-02 -6.37E-06 1.38E-09
66839.39 6.222964 3.167807 4.75E-03 -1.84E-06 3.04E-10
26428.98 13.93971 4.14757 5.96E-03 -2.37E-06 4.67E-10
20059.45 12.49042 5.628206 4.09E-03 -1.59E-06 2.86E-10
34859.85 8.51054 3.016724 1.03E-02 -4.68E-06 1.02E-09
-7042.918 12.21565 4.511297 9.00E-03 -4.17E-06 9.23E-10
5089.776 4.097331 2.036111 1.46E-02 -6.71E-06 1.47E-09
12841.63 4.707209 1.954656 1.74E-02 -7.98E-06 1.75E-09
This worksheet
will be written to a tab-delimited
-11522.21 2.666823 1.071882 2.17E-02 -1.00E-05 2.21E-09
text file named gritherm.dat (note the name of
-30293.73 -0.849032 3.033992 2.18E-03 -1.64E-07 -9.70E-11
the worksheet
tab below is O_gritherm.dat). The
-1020.9 3.950372 2.92664 1.49E-03 -5.68E-07 1.01E-10
older,-745.375
harder to handle
4.366 Chemkin
2.5 database
0
0
0
gritherm.dat
was
converted
to this
worksheet
by 3.74E-11
85443.88 4.531308 2.492669
4.80E-05
-7.24E-08
using8031.614
the '-OF'13.87432
Kintecus
switch. 6.79E-03
See manual
for 4.50E-10
5.923829
-2.57E-06
further
details.
56104.64 4.193909 2.415943 1.75E-04 -1.19E-07 3.02E-11
9844.623 2.280846 3.260606 1.19E-03 -4.29E-07 6.95E-11
8741.774 10.75799 4.823073 2.63E-03 -9.59E-07 1.60E-10
2896.618 6.311992 4.884754 2.17E-03 -8.28E-07 1.57E-10
41880.63 1.848328 2.783693 1.33E-03 -4.25E-07 7.83E-11
11548.3 1.749842 2.979251 3.49E-03 -7.85E-07 5.75E-11
21885.91 -0.141842 2.834742 3.21E-03 -9.34E-07 1.37E-10
28791.97 2.977941 3.766754 2.89E-03 -1.04E-06 1.68E-10
51708.34
3.9805 3.745981 4.35E-05 2.97E-07 -6.87E-11
14682.48 9.550465 5.152185 2.31E-03 -8.80E-07 1.48E-10
14712.63 8.916442 3.802239 3.15E-03 -1.06E-06 1.66E-10
-2826.984 5.632922 5.897849 3.17E-03 -1.12E-06 1.77E-10
-15587.36 6.194577 6.223951 3.18E-03 -1.09E-06 1.71E-10
28637.82 8.992751 5.209703 2.97E-03 -2.86E-07 -1.64E-10
54261.98 11.67587 5.894636 3.99E-03 -1.60E-06 2.92E-10
19299.03 10.7333 6.598605 3.03E-03 -1.08E-06 1.72E-10
-6741.729 -0.625373 2.634452 5.67E-03 -1.73E-06 2.39E-10
1521.477 9.55829 5.97567 8.13E-03 -2.74E-06 4.07E-10
-21572.88 4.103016 5.404111 1.17E-02 -4.23E-06 6.84E-10
-13958.52 19.20169 7.534137 1.89E-02 -6.27E-06 9.15E-10
HA5
1.23E-15
-2.17E-14
4.98E-22
1.17E-14
2.00E-14
-1.08E-14
-2.88E-14
1.76E-14
-2.04E-14
-1.88E-14
-5.34E-14
-3.40E-14
-4.67E-14
-8.84E-14
-1.02E-13
-4.72E-14
-6.49E-14
-2.11E-14
-1.17E-13
-1.77E-14
-3.61E-14
-1.94E-14
-8.63E-14
-7.95E-14
-1.26E-13
-1.50E-13
-1.90E-13
1.68E-14
-6.75E-15
0
-4.87E-15
-2.99E-14
-2.04E-15
-4.03E-15
-9.78E-15
-1.05E-14
-5.50E-15
-1.93E-16
-7.92E-15
-1.01E-14
4.41E-15
-9.10E-15
-9.80E-15
-1.04E-14
-9.95E-15
3.04E-14
-2.01E-14
-1.01E-14
-1.26E-14
-2.18E-14
-4.10E-14
-4.78E-14
HA6
29217.58
-1088.458
25473.66
3858.657
-950.1589
111.8567
-17861.79
71012.44
-14151.87
46263.6
4011.918
50926
16775.58
-13995.83
-9468.345
-48759.17
-3242.506
127.8325
-25374.87
67121.07
25936
19327.22
34612.87
-7551.053
4939.886
12857.52
-11426.39
-30004.3
-922.7977
-745.375
85451.3
7264.626
56133.77
9920.975
8073.405
2316.498
42120.85
11750.58
22171.96
28650.7
51536.19
14004.12
14407.29
-3706.533
-16659.93
27677.11
53452.94
17966.13
-6544.696
490.3218
-22593.12
-16467.52
HA7
4.784339
5.453231
-0.446683
4.476696
-3.205023
3.785102
2.916157
5.48498
7.818688
6.171193
9.798345
8.626502
8.480072
13.65632
18.43732
2.271638
5.810432
2.929575
14.50236
6.635895
-1.230281
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7.787324
0.632247
10.30537
13.46243
15.11561
4.96677
5.980528
4.366
4.801504
-7.601774
4.64961
6.369303
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-0.117417
5.74078
8.606373
6.520416
4.470507
2.78676
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1.57546
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-8.382247
-4.444478
-5.10305
-10.33066
6.566293
-5.045251
-3.480792
-17.89235
10631.86 21.12256 7.702699 1.60E-02 -5.28E-06 7.63E-10 -3.94E-14 8298.434 -15.48018
MW
15.9994
31.9988
1.00797
17.00737
2.01594
33.00677
34.01474
13.01912
28.01055
14.02709
29.01852
14.02709
15.03506
30.02649
16.04303
44.00995
31.03446
31.03446
32.04243
25.03027
26.03824
41.02967
27.04621
42.03764
28.05418
29.06215
30.07012
18.01534
28.0134
39.948
12.01115
42.03764
14.0067
30.0061
44.0128
46.0055
15.01467
31.01407
16.02264
29.02137
26.01785
42.01725
27.02582
43.02522
43.02522
28.03379
41.03252
43.02522
17.03061
43.04561
44.05358
44.09721
Element Comp.(CMW)
O 1
O 2
H 1
O 1H 1
H 2
H 1O 2
H 2O 2
C 1H 1
C 1O 1
C 1H 2
H 1C 1O 1
C 1H 2
C 1H 3
H 2C 1O 1
C 1H 4
C 1O 2
C 1H 3O 1
C 1H 3O 1
C 1H 4O 1
C 2H 1
C 2H 2
H 1C 2O 1
C 2H 3
C 2H 2O 1
C 2H 4
C 2H 5
C 2H 6
H 2O 1
N 2
AR 1
C 1
C 2O 1H 2
N 1
N 1O 1
N 2O 1
N 1O 2
N 1H 1
H 1N 1O 1
N 1H 2
N 2H 1
C 1N 1
N 1C 1O 1
H 1C 1N 1
H 1N 1C 1O 1
H 1N 1C 1O 1
H 2C 1N 1
C 1N 2H 1
H 1N 1C 1O 1
N 1H 3
O 1H 3C 2
C 2H 4O 1
C 3H 8
43.08924 C 3H 7

Run Your Model in Six Steps

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Run Your Model in Six Steps

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RUN YOUR MODEL IN SIX STEPS

0) Before we start, most worksheets have special comments in cells

Kintecus Control Spreadsheet Page

Once you click the

Kintecus Registration/Unlocking Key (enter in the cell below)

I am using the German/Russian version of Excel =

Model Description SpreadSheet

# 'O+C2H2<=>CO+CH2 6.940E+06 2.000 1900.00 !'

# 'H+H2O2<=>HO2+H2 1.210E+07 2.000 5200.00 !'

'LOW / 4.660E+41 -7.440 14080.0/'

# 'H+CH2CO<=>HCCO+H2 5.000E+13 .000 8000.00 !'

# 'C+CH3<=>H+C2H2 5.000E+13 .000 .00 !'

# 'NH+H<=>N+H2 3.200E+13 .000 330.00 !'

# 'C+N2<=>CN+N 6.300E+13 .000 46020.00 !'

# 'HNCO+O<=>HNO+CO 1.500E+08 1.570 44000.00 !'

# 'OH+CH2CHO<=>H2O+CH2CO 1.200E+13 .000 .00 !'

13 .000 .00 !'

E+06 2.000 1900.00 !'

H2O/ .00/ CH4/2.00/ CO2/ .00/ C2H6/3.00/ AR/ .63/'

+07 2.000 5200.00 !'

660E+41 -7.440 14080.0/'

00E+13 .000 8000.00 !'

13 .000 .00 !'

000 330.00 !'

13 .000 .00 !'

13 .000 .00 !'

000 46020.00 !'

13 .000 .00 !'

13 .000 .00 !'

13 .000 .00 !'

E+08 1.570 44000.00 !'

8.000E+09 .500 -1755.00'

CO 1.200E+13 .000 .00 !'

Species Description Spreadsheet

Parameter Description SpreadSheet

Maximum Integration Time

Ea UNITS (Kcal, KJ,J,CAL,K)

Pressure (Constant ? (Yes/No) ) Volume Profile (Filename/No)

Conc. Units(moles/L, moles/cc, molecules/cc)

Thermodynamic Description Spreadsheet

Thermodynamic coeffic. (LOW then HIGH)

5000 1.051552 2.60E-02 2.38E-06 -1.96E-08 9.37E-12

10631.86 21.12256 7.702699 1.60E-02 -5.28E-06 7.63E-10 -3.94E-14 8298.434 -15.48018

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