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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
3.00E+03

Temperature(K)

2.50E+03

2.00E+03

1.50E+03

1.00E+03

5.00E+02

0.00E+00
0.00E+00

5.00E-04

1.00E-03

1.50E-03

Time(s)

2.00E-03

2.50E-03

3.00E-03

3.50E-03

Kintecus_Plot
1.20E-08

1.00E-08

Concentration

8.00E-09

6.00E-09

4.00E-09

2.00E-09

0.00E+00
0.00E+00 5.00E-04 1.00E-03 1.50E-03 2.00E-03 2.50E-03 3.00E-03 3.50E-03

Time(s)

oh
h
o
ho2
ch3
ch4
ch2o
ch3ooh
ch2(s)
hcoh
ch3oh
co2
c2h4
hcco
pc3h4
no
n2o
nh
nh2
cn
hcn
hno2
hono2

h2
h2o
o2
h2o2
c2h6
ch3o
ch3o2
ch2oh
ch2
ch
co
hco
c2h2
c2h3
n
n2
no2
hno
nnh
nco
hocn
hono
no3

Time(s)
0.00E+00
3.66E-05
6.69E-05
1.01E-04
1.28E-04
1.54E-04
1.81E-04
2.07E-04
2.33E-04
2.58E-04
2.83E-04
3.09E-04
3.35E-04
3.61E-04
3.88E-04
4.14E-04
4.40E-04
4.71E-04
5.11E-04
5.37E-04
5.62E-04
5.89E-04
6.20E-04
6.54E-04
6.84E-04
7.13E-04
7.46E-04
7.73E-04
8.04E-04
8.42E-04
8.71E-04
9.12E-04
9.43E-04
9.86E-04
1.02E-03
1.05E-03
1.08E-03
1.10E-03
1.14E-03
1.17E-03
1.20E-03
1.23E-03
1.26E-03
1.30E-03
1.33E-03
1.38E-03
1.40E-03
1.43E-03
1.46E-03
1.49E-03

oh
0.00E+00
1.87E-10
1.82E-10
1.80E-10
1.98E-10
2.38E-10
3.12E-10
4.41E-10
7.10E-10
1.30E-09
4.99E-10
1.50E-10
7.89E-11
5.58E-11
4.31E-11
3.62E-11
3.18E-11
2.86E-11
2.65E-11
2.58E-11
2.55E-11
2.55E-11
2.57E-11
2.62E-11
2.69E-11
2.77E-11
2.89E-11
3.00E-11
3.14E-11
3.35E-11
3.54E-11
3.85E-11
4.12E-11
4.58E-11
4.98E-11
5.40E-11
5.81E-11
6.28E-11
7.08E-11
7.81E-11
8.57E-11
9.31E-11
1.05E-10
1.19E-10
1.34E-10
1.56E-10
1.73E-10
1.90E-10
2.12E-10
2.31E-10

h2
1.00E-09
9.98E-10
1.00E-09
1.00E-09
9.93E-10
9.81E-10
9.65E-10
9.45E-10
9.11E-10
8.38E-10
6.59E-10
8.61E-10
1.03E-09
1.10E-09
1.14E-09
1.16E-09
1.18E-09
1.19E-09
1.20E-09
1.20E-09
1.21E-09
1.21E-09
1.21E-09
1.22E-09
1.22E-09
1.22E-09
1.22E-09
1.21E-09
1.21E-09
1.21E-09
1.20E-09
1.19E-09
1.18E-09
1.17E-09
1.16E-09
1.14E-09
1.13E-09
1.12E-09
1.09E-09
1.07E-09
1.05E-09
1.03E-09
1.00E-09
9.67E-10
9.32E-10
8.85E-10
8.52E-10
8.19E-10
7.79E-10
7.48E-10

h
0.00E+00
5.23E-12
1.23E-11
1.91E-11
2.30E-11
2.62E-11
3.00E-11
3.51E-11
4.41E-11
6.35E-11
1.93E-10
1.93E-10
1.09E-10
6.75E-11
4.62E-11
3.63E-11
3.09E-11
2.73E-11
2.52E-11
2.47E-11
2.46E-11
2.48E-11
2.53E-11
2.62E-11
2.72E-11
2.84E-11
3.00E-11
3.15E-11
3.33E-11
3.60E-11
3.83E-11
4.20E-11
4.52E-11
5.04E-11
5.49E-11
5.96E-11
6.39E-11
6.88E-11
7.70E-11
8.42E-11
9.14E-11
9.82E-11
1.09E-10
1.20E-10
1.32E-10
1.49E-10
1.60E-10
1.71E-10
1.84E-10
1.94E-10

h2o
0.00E+00
1.30E-10
2.87E-10
4.65E-10
6.14E-10
7.76E-10
1.01E-09
1.31E-09
1.81E-09
2.67E-09
2.88E-09
2.62E-09
2.46E-09
2.38E-09
2.34E-09
2.31E-09
2.30E-09
2.29E-09
2.28E-09
2.28E-09
2.28E-09
2.28E-09
2.28E-09
2.28E-09
2.28E-09
2.28E-09
2.28E-09
2.28E-09
2.28E-09
2.28E-09
2.28E-09
2.29E-09
2.29E-09
2.30E-09
2.30E-09
2.31E-09
2.31E-09
2.31E-09
2.32E-09
2.33E-09
2.34E-09
2.34E-09
2.35E-09
2.36E-09
2.37E-09
2.39E-09
2.39E-09
2.40E-09
2.42E-09
2.42E-09

o
0.00E+00
7.56E-13
1.13E-12
1.04E-12
1.02E-12
1.18E-12
1.64E-12
2.57E-12
4.91E-12
1.18E-11
1.26E-11
1.60E-11
1.75E-11
1.55E-11
1.27E-11
1.05E-11
8.92E-12
7.71E-12
6.88E-12
6.62E-12
6.50E-12
6.48E-12
6.56E-12
6.74E-12
6.96E-12
7.22E-12
7.58E-12
7.91E-12
8.33E-12
8.93E-12
9.43E-12
1.03E-11
1.10E-11
1.22E-11
1.32E-11
1.43E-11
1.53E-11
1.65E-11
1.85E-11
2.04E-11
2.23E-11
2.43E-11
2.75E-11
3.12E-11
3.54E-11
4.19E-11
4.69E-11
5.23E-11
5.99E-11
6.64E-11

o2
1.00E-08
1.01E-08
1.02E-08
1.02E-08
1.01E-08
9.88E-09
9.57E-09
9.16E-09
8.44E-09
7.04E-09
4.19E-09
3.18E-09
2.70E-09
2.46E-09
2.31E-09
2.22E-09
2.16E-09
2.10E-09
2.04E-09
2.01E-09
1.98E-09
1.95E-09
1.92E-09
1.89E-09
1.86E-09
1.84E-09
1.81E-09
1.79E-09
1.76E-09
1.73E-09
1.71E-09
1.68E-09
1.66E-09
1.62E-09
1.59E-09
1.57E-09
1.54E-09
1.52E-09
1.48E-09
1.45E-09
1.42E-09
1.40E-09
1.35E-09
1.31E-09
1.27E-09
1.21E-09
1.17E-09
1.14E-09
1.09E-09
1.06E-09

ho2
0.00E+00
8.68E-13
2.96E-12
7.31E-12
1.25E-11
1.91E-11
2.91E-11
4.19E-11
5.96E-11
7.72E-11
7.44E-11
7.72E-11
9.00E-11
9.36E-11
8.88E-11
8.11E-11
7.29E-11
6.39E-11
5.45E-11
4.95E-11
4.52E-11
4.12E-11
3.71E-11
3.32E-11
3.01E-11
2.74E-11
2.45E-11
2.22E-11
1.98E-11
1.71E-11
1.52E-11
1.27E-11
1.10E-11
8.89E-12
7.48E-12
6.36E-12
5.52E-12
4.76E-12
3.83E-12
3.25E-12
2.81E-12
2.49E-12
2.10E-12
1.79E-12
1.52E-12
1.21E-12
1.03E-12
8.73E-13
7.03E-13
5.94E-13

h2o2
0.00E+00
5.13E-16
1.28E-15
2.44E-15
4.39E-15
8.32E-15
1.77E-14
3.65E-14
7.60E-14
1.43E-13
3.56E-13
1.31E-12
3.51E-12
6.70E-12
1.02E-11
1.26E-11
1.42E-11
1.51E-11
1.49E-11
1.44E-11
1.36E-11
1.26E-11
1.14E-11
1.01E-11
8.92E-12
7.87E-12
6.74E-12
5.90E-12
5.02E-12
4.09E-12
3.47E-12
2.70E-12
2.22E-12
1.65E-12
1.30E-12
1.03E-12
8.46E-13
6.84E-13
4.96E-13
3.85E-13
3.07E-13
2.53E-13
1.95E-13
1.52E-13
1.20E-13
8.89E-14
7.19E-14
5.80E-14
4.39E-14
3.52E-14

ch3
0.00E+00
8.50E-11
1.71E-10
2.31E-10
2.57E-10
2.73E-10
2.87E-10
2.95E-10
2.89E-10
2.26E-10
1.02E-10
1.07E-10
1.05E-10
9.92E-11
9.22E-11
8.66E-11
8.20E-11
7.75E-11
7.28E-11
7.03E-11
6.82E-11
6.61E-11
6.40E-11
6.21E-11
6.06E-11
5.94E-11
5.81E-11
5.72E-11
5.64E-11
5.55E-11
5.49E-11
5.42E-11
5.37E-11
5.29E-11
5.22E-11
5.14E-11
5.05E-11
4.94E-11
4.73E-11
4.51E-11
4.27E-11
4.02E-11
3.62E-11
3.16E-11
2.69E-11
2.07E-11
1.68E-11
1.34E-11
9.71E-12
7.33E-12

1.52E-03
1.54E-03
1.57E-03
1.60E-03
1.62E-03
1.65E-03
1.68E-03
1.70E-03
1.73E-03
1.76E-03
1.78E-03
1.81E-03
1.83E-03
1.86E-03
1.88E-03
1.91E-03
1.93E-03
1.96E-03
1.98E-03
2.01E-03
2.03E-03
2.06E-03
2.08E-03
2.11E-03
2.14E-03
2.16E-03
2.19E-03
2.21E-03
2.24E-03
2.26E-03
2.29E-03
2.31E-03
2.34E-03
2.37E-03
2.40E-03
2.42E-03
2.45E-03
2.47E-03
2.50E-03
2.52E-03
2.55E-03
2.58E-03
2.60E-03
2.63E-03
2.66E-03
2.68E-03
2.71E-03
2.73E-03
2.76E-03
2.79E-03
2.81E-03

2.52E-10
2.73E-10
2.96E-10
3.16E-10
3.35E-10
3.54E-10
3.72E-10
3.89E-10
4.04E-10
4.19E-10
4.32E-10
4.43E-10
4.53E-10
4.62E-10
4.70E-10
4.77E-10
4.84E-10
4.89E-10
4.94E-10
4.99E-10
5.03E-10
5.06E-10
5.09E-10
5.12E-10
5.15E-10
5.17E-10
5.19E-10
5.21E-10
5.23E-10
5.25E-10
5.26E-10
5.28E-10
5.29E-10
5.30E-10
5.32E-10
5.33E-10
5.34E-10
5.35E-10
5.35E-10
5.36E-10
5.37E-10
5.38E-10
5.39E-10
5.39E-10
5.40E-10
5.41E-10
5.41E-10
5.42E-10
5.42E-10
5.43E-10
5.43E-10

7.12E-10
6.81E-10
6.48E-10
6.20E-10
5.94E-10
5.70E-10
5.48E-10
5.29E-10
5.12E-10
4.97E-10
4.84E-10
4.73E-10
4.65E-10
4.57E-10
4.52E-10
4.47E-10
4.43E-10
4.40E-10
4.38E-10
4.37E-10
4.36E-10
4.36E-10
4.36E-10
4.36E-10
4.37E-10
4.37E-10
4.38E-10
4.39E-10
4.41E-10
4.42E-10
4.44E-10
4.45E-10
4.46E-10
4.48E-10
4.50E-10
4.51E-10
4.53E-10
4.54E-10
4.56E-10
4.57E-10
4.59E-10
4.60E-10
4.62E-10
4.63E-10
4.65E-10
4.66E-10
4.67E-10
4.69E-10
4.70E-10
4.71E-10
4.72E-10

2.05E-10
2.15E-10
2.25E-10
2.33E-10
2.41E-10
2.48E-10
2.54E-10
2.59E-10
2.64E-10
2.69E-10
2.73E-10
2.77E-10
2.81E-10
2.84E-10
2.87E-10
2.90E-10
2.93E-10
2.96E-10
2.99E-10
3.02E-10
3.05E-10
3.08E-10
3.10E-10
3.13E-10
3.16E-10
3.18E-10
3.21E-10
3.24E-10
3.26E-10
3.29E-10
3.31E-10
3.33E-10
3.36E-10
3.38E-10
3.40E-10
3.43E-10
3.45E-10
3.47E-10
3.49E-10
3.51E-10
3.52E-10
3.54E-10
3.56E-10
3.58E-10
3.60E-10
3.61E-10
3.63E-10
3.64E-10
3.66E-10
3.67E-10
3.69E-10

2.44E-09
2.45E-09
2.46E-09
2.47E-09
2.47E-09
2.48E-09
2.49E-09
2.50E-09
2.50E-09
2.50E-09
2.51E-09
2.51E-09
2.51E-09
2.51E-09
2.51E-09
2.51E-09
2.51E-09
2.50E-09
2.50E-09
2.50E-09
2.50E-09
2.49E-09
2.49E-09
2.49E-09
2.48E-09
2.48E-09
2.47E-09
2.47E-09
2.46E-09
2.46E-09
2.46E-09
2.45E-09
2.45E-09
2.44E-09
2.44E-09
2.44E-09
2.43E-09
2.43E-09
2.43E-09
2.42E-09
2.42E-09
2.42E-09
2.41E-09
2.41E-09
2.41E-09
2.40E-09
2.40E-09
2.40E-09
2.40E-09
2.39E-09
2.39E-09

7.46E-11
8.29E-11
9.26E-11
1.02E-10
1.11E-10
1.21E-10
1.31E-10
1.41E-10
1.50E-10
1.59E-10
1.68E-10
1.76E-10
1.83E-10
1.89E-10
1.95E-10
2.01E-10
2.06E-10
2.10E-10
2.15E-10
2.18E-10
2.22E-10
2.25E-10
2.28E-10
2.30E-10
2.33E-10
2.35E-10
2.37E-10
2.39E-10
2.40E-10
2.42E-10
2.43E-10
2.45E-10
2.46E-10
2.48E-10
2.49E-10
2.50E-10
2.51E-10
2.52E-10
2.53E-10
2.54E-10
2.55E-10
2.55E-10
2.56E-10
2.57E-10
2.58E-10
2.58E-10
2.59E-10
2.60E-10
2.60E-10
2.61E-10
2.61E-10

1.02E-09
9.91E-10
9.57E-10
9.27E-10
9.00E-10
8.74E-10
8.49E-10
8.26E-10
8.04E-10
7.84E-10
7.66E-10
7.49E-10
7.35E-10
7.22E-10
7.09E-10
6.98E-10
6.88E-10
6.79E-10
6.70E-10
6.63E-10
6.55E-10
6.49E-10
6.43E-10
6.37E-10
6.32E-10
6.27E-10
6.22E-10
6.17E-10
6.13E-10
6.09E-10
6.06E-10
6.02E-10
5.99E-10
5.95E-10
5.92E-10
5.89E-10
5.86E-10
5.84E-10
5.81E-10
5.79E-10
5.76E-10
5.74E-10
5.72E-10
5.70E-10
5.68E-10
5.66E-10
5.64E-10
5.62E-10
5.60E-10
5.59E-10
5.57E-10

4.91E-13
4.16E-13
3.52E-13
3.08E-13
2.76E-13
2.51E-13
2.32E-13
2.17E-13
2.06E-13
1.97E-13
1.90E-13
1.84E-13
1.79E-13
1.75E-13
1.72E-13
1.69E-13
1.66E-13
1.64E-13
1.62E-13
1.60E-13
1.58E-13
1.57E-13
1.55E-13
1.54E-13
1.53E-13
1.51E-13
1.50E-13
1.49E-13
1.48E-13
1.47E-13
1.47E-13
1.46E-13
1.45E-13
1.44E-13
1.43E-13
1.43E-13
1.42E-13
1.42E-13
1.41E-13
1.40E-13
1.40E-13
1.39E-13
1.39E-13
1.38E-13
1.38E-13
1.37E-13
1.37E-13
1.37E-13
1.36E-13
1.36E-13
1.35E-13

2.74E-14
2.19E-14
1.74E-14
1.44E-14
1.23E-14
1.06E-14
9.45E-15
8.51E-15
7.81E-15
7.25E-15
6.81E-15
6.44E-15
6.15E-15
5.91E-15
5.71E-15
5.53E-15
5.38E-15
5.25E-15
5.13E-15
5.03E-15
4.94E-15
4.86E-15
4.79E-15
4.72E-15
4.66E-15
4.60E-15
4.55E-15
4.50E-15
4.45E-15
4.41E-15
4.37E-15
4.33E-15
4.30E-15
4.26E-15
4.23E-15
4.20E-15
4.17E-15
4.15E-15
4.12E-15
4.10E-15
4.07E-15
4.05E-15
4.03E-15
4.01E-15
3.99E-15
3.97E-15
3.95E-15
3.93E-15
3.91E-15
3.90E-15
3.88E-15

5.13E-12
3.57E-12
2.31E-12
1.51E-12
9.71E-13
6.04E-13
3.71E-13
2.22E-13
1.32E-13
7.79E-14
4.62E-14
2.69E-14
1.64E-14
1.00E-14
6.15E-15
3.87E-15
2.50E-15
1.68E-15
1.17E-15
8.57E-16
6.52E-16
5.15E-16
4.18E-16
3.46E-16
2.91E-16
2.48E-16
2.13E-16
1.80E-16
1.55E-16
1.34E-16
1.16E-16
9.99E-17
8.64E-17
7.27E-17
6.24E-17
5.37E-17
4.64E-17
3.99E-17
3.41E-17
2.93E-17
2.49E-17
2.13E-17
1.81E-17
1.53E-17
1.30E-17
1.11E-17
9.48E-18
8.07E-18
6.89E-18
5.88E-18
5.01E-18

2.84E-03
2.86E-03
2.89E-03
2.91E-03
2.94E-03
2.97E-03
2.99E-03
3.00E-03

5.44E-10
5.44E-10
5.45E-10
5.45E-10
5.45E-10
5.46E-10
5.46E-10
5.46E-10

4.73E-10
4.74E-10
4.75E-10
4.76E-10
4.77E-10
4.78E-10
4.79E-10
4.80E-10

3.70E-10
3.71E-10
3.73E-10
3.74E-10
3.75E-10
3.76E-10
3.77E-10
3.78E-10

2.39E-09
2.39E-09
2.38E-09
2.38E-09
2.38E-09
2.38E-09
2.38E-09
2.38E-09

2.62E-10
2.63E-10
2.63E-10
2.64E-10
2.64E-10
2.64E-10
2.65E-10
2.65E-10

5.56E-10
5.54E-10
5.53E-10
5.51E-10
5.50E-10
5.49E-10
5.48E-10
5.47E-10

1.35E-13
1.35E-13
1.34E-13
1.34E-13
1.34E-13
1.33E-13
1.33E-13
1.33E-13

3.87E-15
3.85E-15
3.84E-15
3.83E-15
3.81E-15
3.80E-15
3.79E-15
3.78E-15

4.27E-18
3.63E-18
3.09E-18
2.64E-18
2.21E-18
1.89E-18
1.61E-18
1.51E-18

c2h6
0.00E+00
1.25E-13
1.19E-12
3.95E-12
6.90E-12
9.82E-12
1.29E-11
1.52E-11
1.63E-11
1.40E-11
7.35E-12
4.76E-12
2.64E-12
5.27E-13
7.73E-15
2.97E-16
1.60E-16
9.28E-17
5.40E-17
4.02E-17
3.11E-17
2.43E-17
1.86E-17
1.45E-17
1.17E-17
9.60E-18
7.79E-18
6.65E-18
5.62E-18
4.56E-18
3.97E-18
3.23E-18
2.82E-18
2.28E-18
1.97E-18
1.68E-18
1.48E-18
1.28E-18
1.01E-18
8.18E-19
6.49E-19
5.27E-19
3.67E-19
2.45E-19
1.54E-19
7.84E-20
4.69E-20
2.71E-20
1.31E-20
7.08E-21

ch4
0.00E+00
3.58E-12
2.11E-11
5.90E-11
1.01E-10
1.47E-10
2.09E-10
2.78E-10
3.61E-10
4.26E-10
3.17E-10
2.53E-10
2.15E-10
1.94E-10
1.79E-10
1.70E-10
1.64E-10
1.59E-10
1.53E-10
1.50E-10
1.47E-10
1.44E-10
1.41E-10
1.37E-10
1.34E-10
1.30E-10
1.26E-10
1.22E-10
1.18E-10
1.12E-10
1.08E-10
1.01E-10
9.52E-11
8.68E-11
8.01E-11
7.38E-11
6.83E-11
6.25E-11
5.39E-11
4.70E-11
4.09E-11
3.57E-11
2.86E-11
2.23E-11
1.68E-11
1.12E-11
8.22E-12
5.95E-12
3.85E-12
2.68E-12

ch3o
0.00E+00
3.00E-10
4.06E-10
4.99E-10
5.77E-10
6.73E-10
8.26E-10
1.06E-09
1.51E-09
2.40E-09
1.35E-09
3.90E-10
1.02E-10
2.86E-11
8.18E-12
3.39E-12
1.97E-12
1.38E-12
1.03E-12
8.92E-13
7.82E-13
6.87E-13
5.95E-13
5.15E-13
4.54E-13
4.02E-13
3.49E-13
3.11E-13
2.73E-13
2.32E-13
2.06E-13
1.73E-13
1.52E-13
1.27E-13
1.11E-13
9.92E-14
9.06E-14
8.26E-14
7.25E-14
6.57E-14
5.98E-14
5.51E-14
4.83E-14
4.17E-14
3.52E-14
2.71E-14
2.20E-14
1.76E-14
1.28E-14
9.74E-15

ch2o
0.00E+00
1.65E-11
5.77E-11
1.27E-10
1.96E-10
2.73E-10
3.76E-10
5.01E-10
6.89E-10
9.88E-10
1.13E-09
1.08E-09
8.85E-10
7.33E-10
6.20E-10
5.45E-10
4.88E-10
4.34E-10
3.79E-10
3.48E-10
3.21E-10
2.94E-10
2.65E-10
2.36E-10
2.13E-10
1.91E-10
1.68E-10
1.51E-10
1.32E-10
1.11E-10
9.73E-11
7.91E-11
6.73E-11
5.29E-11
4.39E-11
3.70E-11
3.20E-11
2.77E-11
2.26E-11
1.95E-11
1.72E-11
1.56E-11
1.36E-11
1.18E-11
1.02E-11
8.28E-12
7.02E-12
5.86E-12
4.53E-12
3.61E-12

ch3o2
0.00E+00
2.01E-11
2.14E-11
1.90E-11
1.72E-11
1.62E-11
1.57E-11
1.46E-11
1.19E-11
4.48E-12
2.03E-16
1.81E-16
5.75E-17
1.29E-17
3.91E-18
2.41E-18
1.91E-18
1.62E-18
1.38E-18
1.26E-18
1.17E-18
1.09E-18
1.00E-18
9.32E-19
8.76E-19
8.24E-19
7.73E-19
7.39E-19
7.06E-19
6.58E-19
6.33E-19
5.91E-19
5.68E-19
5.28E-19
5.04E-19
4.75E-19
4.57E-19
4.34E-19
3.96E-19
3.69E-19
3.37E-19
3.12E-19
2.71E-19
2.33E-19
1.94E-19
1.47E-19
1.19E-19
9.41E-20
6.84E-20
5.18E-20

ch3ooh
1.00E-08
9.57E-09
9.30E-09
8.95E-09
8.47E-09
7.92E-09
7.15E-09
6.14E-09
4.48E-09
1.62E-09
1.53E-14
9.46E-17
4.21E-18
4.87E-19
7.66E-20
2.17E-20
9.61E-21
5.32E-21
3.25E-21
2.54E-21
2.07E-21
1.72E-21
1.40E-21
1.17E-21
1.01E-21
8.73E-22
7.49E-22
6.67E-22
5.91E-22
5.03E-22
4.55E-22
3.90E-22
3.54E-22
3.08E-22
2.84E-22
2.61E-22
2.49E-22
2.37E-22
2.21E-22
2.13E-22
2.02E-22
1.96E-22
1.83E-22
1.70E-22
1.53E-22
1.28E-22
1.10E-22
9.29E-23
7.30E-23
5.87E-23

ch2oh
0.00E+00
4.80E-15
1.36E-14
2.25E-14
3.17E-14
4.56E-14
7.28E-14
1.23E-13
2.38E-13
5.28E-13
9.68E-13
2.60E-12
3.31E-12
2.88E-12
2.23E-12
1.75E-12
1.42E-12
1.15E-12
9.16E-13
8.10E-13
7.25E-13
6.49E-13
5.71E-13
5.00E-13
4.42E-13
3.91E-13
3.38E-13
2.98E-13
2.57E-13
2.12E-13
1.84E-13
1.48E-13
1.27E-13
1.03E-13
9.02E-14
8.14E-14
7.63E-14
7.27E-14
7.01E-14
6.99E-14
7.02E-14
7.10E-14
7.17E-14
7.16E-14
6.99E-14
6.50E-14
6.00E-14
5.41E-14
4.56E-14
3.87E-14

ch2(s)
0.00E+00
9.37E-14
1.85E-13
2.51E-13
3.14E-13
4.09E-13
5.88E-13
8.91E-13
1.52E-12
2.58E-12
1.08E-12
5.88E-13
4.24E-13
3.35E-13
2.71E-13
2.31E-13
2.03E-13
1.80E-13
1.61E-13
1.54E-13
1.48E-13
1.44E-13
1.42E-13
1.40E-13
1.41E-13
1.42E-13
1.45E-13
1.49E-13
1.54E-13
1.62E-13
1.70E-13
1.84E-13
1.96E-13
2.17E-13
2.36E-13
2.54E-13
2.71E-13
2.90E-13
3.18E-13
3.40E-13
3.58E-13
3.72E-13
3.86E-13
3.92E-13
3.86E-13
3.61E-13
3.34E-13
3.02E-13
2.56E-13
2.18E-13

ch2
0.00E+00
3.03E-13
1.11E-12
1.88E-12
2.38E-12
2.95E-12
3.87E-12
5.27E-12
7.69E-12
1.10E-11
9.61E-12
8.31E-12
7.32E-12
6.41E-12
5.51E-12
4.78E-12
4.17E-12
3.60E-12
3.06E-12
2.82E-12
2.63E-12
2.48E-12
2.36E-12
2.27E-12
2.23E-12
2.21E-12
2.22E-12
2.24E-12
2.28E-12
2.35E-12
2.43E-12
2.56E-12
2.69E-12
2.89E-12
3.07E-12
3.25E-12
3.41E-12
3.58E-12
3.83E-12
4.01E-12
4.16E-12
4.25E-12
4.33E-12
4.29E-12
4.14E-12
3.77E-12
3.43E-12
3.04E-12
2.52E-12
2.11E-12

hcoh
0.00E+00
4.85E-13
1.08E-12
1.48E-12
1.86E-12
2.43E-12
3.48E-12
5.30E-12
9.02E-12
1.55E-11
7.55E-12
1.27E-12
4.86E-13
3.42E-13
3.03E-13
2.95E-13
2.95E-13
2.98E-13
3.00E-13
3.01E-13
3.00E-13
2.98E-13
2.93E-13
2.87E-13
2.80E-13
2.72E-13
2.62E-13
2.53E-13
2.41E-13
2.26E-13
2.15E-13
1.99E-13
1.88E-13
1.72E-13
1.63E-13
1.54E-13
1.49E-13
1.45E-13
1.40E-13
1.38E-13
1.35E-13
1.34E-13
1.31E-13
1.26E-13
1.19E-13
1.06E-13
9.43E-14
8.22E-14
6.69E-14
5.51E-14

3.31E-21
1.52E-21
6.17E-22
2.56E-22
1.05E-22
4.01E-23
1.51E-23
5.39E-24
1.93E-24
6.77E-25
2.44E-25
8.56E-26
3.32E-26
1.33E-26
5.46E-27
2.42E-27
1.16E-27
6.05E-28
3.50E-28
2.26E-28
1.63E-28
1.30E-28
1.12E-28
1.02E-28
9.64E-29
9.34E-29
9.18E-29
9.11E-29
9.09E-29
9.10E-29
9.13E-29
9.18E-29
9.23E-29
9.30E-29
9.36E-29
9.42E-29
9.48E-29
9.55E-29
9.62E-29
9.68E-29
9.74E-29
9.80E-29
9.86E-29
9.93E-29
9.98E-29
1.00E-28
1.01E-28
1.01E-28
1.02E-28
1.02E-28
1.03E-28

1.71E-12
1.09E-12
6.50E-13
3.93E-13
2.35E-13
1.36E-13
7.77E-14
4.30E-14
2.39E-14
1.31E-14
7.23E-15
3.94E-15
2.25E-15
1.30E-15
7.52E-16
4.45E-16
2.70E-16
1.69E-16
1.10E-16
7.50E-17
5.34E-17
3.99E-17
3.09E-17
2.47E-17
2.02E-17
1.69E-17
1.43E-17
1.20E-17
1.02E-17
8.73E-18
7.51E-18
6.46E-18
5.56E-18
4.66E-18
3.99E-18
3.42E-18
2.94E-18
2.53E-18
2.15E-18
1.85E-18
1.57E-18
1.34E-18
1.14E-18
9.54E-19
8.11E-19
6.91E-19
5.89E-19
5.01E-19
4.27E-19
3.64E-19
3.10E-19

6.88E-15
4.81E-15
3.14E-15
2.06E-15
1.33E-15
8.28E-16
5.09E-16
3.04E-16
1.81E-16
1.06E-16
6.23E-17
3.61E-17
2.18E-17
1.32E-17
8.03E-18
4.99E-18
3.17E-18
2.08E-18
1.42E-18
1.01E-18
7.51E-19
5.82E-19
4.66E-19
3.82E-19
3.20E-19
2.72E-19
2.33E-19
1.98E-19
1.71E-19
1.48E-19
1.28E-19
1.11E-19
9.65E-20
8.16E-20
7.03E-20
6.08E-20
5.27E-20
4.56E-20
3.90E-20
3.37E-20
2.88E-20
2.47E-20
2.11E-20
1.78E-20
1.52E-20
1.31E-20
1.12E-20
9.54E-21
8.18E-21
7.00E-21
5.98E-21

2.70E-12
2.00E-12
1.39E-12
9.69E-13
6.64E-13
4.39E-13
2.86E-13
1.81E-13
1.13E-13
6.98E-14
4.31E-14
2.61E-14
1.64E-14
1.03E-14
6.54E-15
4.23E-15
2.81E-15
1.94E-15
1.39E-15
1.04E-15
8.03E-16
6.44E-16
5.30E-16
4.42E-16
3.76E-16
3.22E-16
2.78E-16
2.37E-16
2.05E-16
1.77E-16
1.54E-16
1.34E-16
1.16E-16
9.86E-17
8.53E-17
7.42E-17
6.47E-17
5.64E-17
4.88E-17
4.26E-17
3.69E-17
3.23E-17
2.82E-17
2.45E-17
2.16E-17
1.91E-17
1.70E-17
1.52E-17
1.37E-17
1.24E-17
1.13E-17

3.65E-20
2.53E-20
1.63E-20
1.05E-20
6.73E-21
4.13E-21
2.50E-21
1.46E-21
8.54E-22
4.91E-22
2.85E-22
1.62E-22
9.65E-23
5.77E-23
3.46E-23
2.13E-23
1.34E-23
8.72E-24
5.91E-24
4.18E-24
3.09E-24
2.38E-24
1.90E-24
1.54E-24
1.28E-24
1.08E-24
9.22E-25
7.77E-25
6.65E-25
5.71E-25
4.93E-25
4.25E-25
3.66E-25
3.08E-25
2.64E-25
2.27E-25
1.96E-25
1.68E-25
1.43E-25
1.23E-25
1.05E-25
8.95E-26
7.61E-26
6.40E-26
5.45E-26
4.65E-26
3.97E-26
3.37E-26
2.88E-26
2.46E-26
2.09E-26

4.43E-23
3.25E-23
2.25E-23
1.56E-23
1.06E-23
6.90E-24
4.42E-24
2.74E-24
1.69E-24
1.02E-24
6.19E-25
3.68E-25
2.27E-25
1.40E-25
8.63E-26
5.43E-26
3.49E-26
2.32E-26
1.59E-26
1.14E-26
8.55E-27
6.66E-27
5.36E-27
4.41E-27
3.71E-27
3.16E-27
2.72E-27
2.32E-27
2.00E-27
1.73E-27
1.51E-27
1.31E-27
1.14E-27
9.64E-28
8.32E-28
7.20E-28
6.24E-28
5.40E-28
4.63E-28
4.00E-28
3.42E-28
2.94E-28
2.51E-28
2.12E-28
1.81E-28
1.56E-28
1.33E-28
1.14E-28
9.75E-29
8.35E-29
7.14E-29

3.10E-14
2.43E-14
1.78E-14
1.30E-14
9.26E-15
6.37E-15
4.30E-15
2.80E-15
1.81E-15
1.14E-15
7.21E-16
4.43E-16
2.80E-16
1.76E-16
1.10E-16
6.90E-17
4.40E-17
2.87E-17
1.92E-17
1.34E-17
9.68E-18
7.32E-18
5.75E-18
4.63E-18
3.84E-18
3.24E-18
2.77E-18
2.34E-18
2.02E-18
1.74E-18
1.51E-18
1.31E-18
1.14E-18
9.59E-19
8.26E-19
7.14E-19
6.17E-19
5.33E-19
4.56E-19
3.93E-19
3.35E-19
2.88E-19
2.45E-19
2.07E-19
1.77E-19
1.51E-19
1.29E-19
1.10E-19
9.43E-20
8.06E-20
6.88E-20

1.76E-13
1.39E-13
1.04E-13
7.76E-14
5.68E-14
4.02E-14
2.80E-14
1.89E-14
1.26E-14
8.19E-15
5.30E-15
3.35E-15
2.17E-15
1.41E-15
9.15E-16
6.09E-16
4.16E-16
2.95E-16
2.18E-16
1.67E-16
1.33E-16
1.09E-16
9.10E-17
7.69E-17
6.59E-17
5.69E-17
4.93E-17
4.22E-17
3.66E-17
3.17E-17
2.76E-17
2.40E-17
2.08E-17
1.76E-17
1.52E-17
1.31E-17
1.13E-17
9.79E-18
8.38E-18
7.22E-18
6.15E-18
5.28E-18
4.50E-18
3.79E-18
3.24E-18
2.77E-18
2.37E-18
2.02E-18
1.73E-18
1.48E-18
1.26E-18

1.66E-12
1.29E-12
9.42E-13
6.85E-13
4.90E-13
3.39E-13
2.31E-13
1.53E-13
1.00E-13
6.47E-14
4.19E-14
2.67E-14
1.77E-14
1.19E-14
8.11E-15
5.72E-15
4.19E-15
3.18E-15
2.50E-15
2.03E-15
1.68E-15
1.42E-15
1.21E-15
1.04E-15
8.99E-16
7.80E-16
6.78E-16
5.82E-16
5.04E-16
4.38E-16
3.81E-16
3.31E-16
2.87E-16
2.43E-16
2.09E-16
1.81E-16
1.56E-16
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8.48E-17
7.28E-17
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5.23E-17
4.47E-17
3.82E-17
3.27E-17
2.79E-17
2.38E-17
2.04E-17
1.74E-17

4.25E-14
3.20E-14
2.26E-14
1.59E-14
1.09E-14
7.26E-15
4.73E-15
2.98E-15
1.86E-15
1.14E-15
7.04E-16
4.25E-16
2.66E-16
1.67E-16
1.05E-16
6.75E-17
4.46E-17
3.05E-17
2.17E-17
1.61E-17
1.24E-17
9.94E-18
8.16E-18
6.80E-18
5.77E-18
4.95E-18
4.27E-18
3.64E-18
3.15E-18
2.73E-18
2.37E-18
2.06E-18
1.79E-18
1.51E-18
1.31E-18
1.14E-18
9.87E-19
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5.53E-19
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3.57E-19
3.11E-19
2.72E-19
2.39E-19
2.10E-19
1.86E-19
1.66E-19
1.48E-19

1.03E-28
1.04E-28
1.04E-28
1.05E-28
1.05E-28
1.05E-28
1.06E-28
1.06E-28

2.63E-19
2.23E-19
1.90E-19
1.62E-19
1.36E-19
1.16E-19
9.86E-20
9.25E-20

5.11E-21
4.35E-21
3.72E-21
3.18E-21
2.68E-21
2.29E-21
1.95E-21
1.84E-21

1.03E-17
9.47E-18
8.77E-18
8.18E-18
7.63E-18
7.20E-18
6.83E-18
6.70E-18

1.78E-26
1.51E-26
1.29E-26
1.10E-26
9.22E-27
7.86E-27
6.70E-27
6.29E-27

6.10E-29
5.20E-29
4.44E-29
3.80E-29
3.20E-29
2.73E-29
2.34E-29
2.19E-29

5.87E-20
4.99E-20
4.26E-20
3.64E-20
3.06E-20
2.62E-20
2.23E-20
2.10E-20

1.07E-18
9.13E-19
7.79E-19
6.66E-19
5.59E-19
4.77E-19
4.07E-19
3.82E-19

1.48E-17
1.26E-17
1.08E-17
9.19E-18
7.73E-18
6.60E-18
5.63E-18
5.29E-18

1.33E-19
1.19E-19
1.08E-19
9.89E-20
9.02E-20
8.34E-20
7.76E-20
7.55E-20

ch
0.00E+00
2.63E-16
1.71E-15
4.01E-15
5.91E-15
8.24E-15
1.25E-14
2.03E-14
4.03E-14
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2.53E-14
2.75E-14
3.05E-14
3.51E-14
3.95E-14
4.74E-14
5.48E-14
6.83E-14
8.13E-14
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1.10E-13
1.28E-13
1.60E-13
1.89E-13
2.21E-13
2.51E-13
2.98E-13
3.45E-13
3.89E-13
4.33E-13
4.49E-13
4.52E-13
4.35E-13
4.08E-13

ch3oh
0.00E+00
7.70E-13
2.11E-12
4.07E-12
5.93E-12
7.94E-12
1.06E-11
1.38E-11
1.81E-11
2.37E-11
3.33E-11
5.48E-11
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2.59E-11
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1.67E-11
1.38E-11
1.14E-11
9.47E-12
7.51E-12
6.14E-12
4.81E-12
3.50E-12
2.72E-12
1.84E-12
1.36E-12
8.51E-13
5.90E-13
4.20E-13
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2.33E-13
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1.11E-13
8.54E-14
6.89E-14
5.17E-14
3.94E-14
3.00E-14
2.06E-14
1.57E-14
1.18E-14
8.04E-15
5.82E-15

co
0.00E+00
1.60E-12
9.09E-12
2.46E-11
4.28E-11
6.66E-11
1.06E-10
1.65E-10
2.74E-10
4.85E-10
6.52E-10
8.06E-10
9.77E-10
1.10E-09
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1.35E-09
1.36E-09
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1.47E-09
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1.50E-09
1.49E-09
1.48E-09
1.48E-09
1.47E-09
1.46E-09
1.46E-09

co2
0.00E+00
5.69E-13
3.16E-12
7.80E-12
1.24E-11
1.76E-11
2.48E-11
3.40E-11
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7.93E-11
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8.52E-11
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8.68E-11
8.79E-11
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9.00E-11
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9.49E-11
9.60E-11
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1.01E-10
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1.05E-10
1.07E-10
1.11E-10
1.14E-10
1.19E-10
1.23E-10
1.28E-10
1.34E-10
1.39E-10

hco
0.00E+00
2.45E-13
1.17E-12
2.84E-12
4.90E-12
7.96E-12
1.36E-11
2.32E-11
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1.39E-10
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7.55E-11
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1.86E-11
1.71E-11
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1.47E-11
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9.42E-12
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3.48E-12
3.34E-12
3.17E-12
2.88E-12
2.62E-12
2.34E-12
1.96E-12
1.65E-12

c2h4
0.00E+00
8.47E-15
1.40E-13
6.00E-13
1.20E-12
1.95E-12
3.03E-12
4.39E-12
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8.25E-12
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9.30E-12
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1.74E-12
1.37E-12
1.05E-12
6.87E-13
4.95E-13
3.45E-13
2.09E-13
1.35E-13

c2h2
0.00E+00
2.06E-17
6.89E-16
3.93E-15
8.85E-15
1.58E-14
2.78E-14
4.74E-14
8.70E-14
1.64E-13
2.39E-13
3.66E-13
5.62E-13
7.85E-13
1.03E-12
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1.67E-12
1.94E-12
2.12E-12
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2.95E-12
3.18E-12
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3.67E-12
3.89E-12
4.15E-12
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5.07E-12
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6.85E-12
6.65E-12
6.34E-12
5.74E-12
5.25E-12
4.71E-12
4.00E-12
3.44E-12

hcco
0.00E+00
6.84E-21
6.89E-19
9.66E-18
3.97E-17
1.15E-16
3.25E-16
8.41E-16
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7.79E-13
7.89E-13
7.79E-13
7.57E-13
7.23E-13
6.64E-13
6.08E-13

c2h3
0.00E+00
4.48E-18
5.67E-17
1.84E-16
3.59E-16
6.66E-16
1.40E-15
3.14E-15
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3.74E-14
1.47E-13
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1.01E-13
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1.12E-13
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9.67E-14
8.68E-14
7.50E-14
5.79E-14
4.63E-14
3.57E-14
2.44E-14
1.72E-14

pc3h4
0.00E+00
1.19E-23
3.74E-21
8.43E-20
4.44E-19
1.59E-18
5.84E-18
1.98E-17
7.98E-17
3.78E-16
1.35E-15
2.19E-14
3.39E-14
3.92E-14
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6.56E-14
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8.63E-14
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9.02E-14
9.12E-14
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7.59E-14
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6.71E-14
6.23E-14
5.46E-14
4.82E-14
4.22E-14
3.69E-14
2.93E-14
2.23E-14
1.62E-14
9.75E-15
6.56E-15
4.24E-15
2.30E-15
1.36E-15

3.64E-13
3.15E-13
2.58E-13
2.06E-13
1.60E-13
1.20E-13
8.79E-14
6.20E-14
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5.79E-15
3.91E-15
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1.09E-15
8.60E-16
7.01E-16
5.84E-16
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3.19E-16
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8.91E-17
7.74E-17
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2.34E-17
2.01E-17
1.73E-17
1.49E-17
1.28E-17
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9.50E-18
8.17E-18

3.91E-15
2.62E-15
1.64E-15
1.04E-15
6.53E-16
3.97E-16
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1.78E-20
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9.74E-21
8.29E-21
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5.10E-21
4.35E-21
3.72E-21
3.18E-21
2.71E-21
2.32E-21
1.98E-21
1.69E-21

1.45E-09
1.44E-09
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1.08E-09
1.08E-09
1.07E-09
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1.07E-09
1.06E-09

1.45E-10
1.51E-10
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1.66E-10
1.74E-10
1.82E-10
1.91E-10
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4.89E-10
4.94E-10
4.98E-10
5.03E-10
5.07E-10
5.12E-10
5.16E-10
5.20E-10

1.31E-12
1.02E-12
7.49E-13
5.44E-13
3.87E-13
2.65E-13
1.78E-13
1.16E-13
7.49E-14
4.74E-14
3.02E-14
1.89E-14
1.23E-14
8.13E-15
5.46E-15
3.83E-15
2.81E-15
2.17E-15
1.76E-15
1.50E-15
1.32E-15
1.20E-15
1.10E-15
1.03E-15
9.80E-16
9.35E-16
8.98E-16
8.63E-16
8.34E-16
8.10E-16
7.89E-16
7.70E-16
7.54E-16
7.37E-16
7.24E-16
7.12E-16
7.02E-16
6.93E-16
6.85E-16
6.78E-16
6.71E-16
6.65E-16
6.60E-16
6.54E-16
6.50E-16
6.46E-16
6.43E-16
6.39E-16
6.37E-16
6.34E-16
6.31E-16

7.75E-14
4.41E-14
2.25E-14
1.16E-14
5.88E-15
2.83E-15
1.35E-15
6.17E-16
2.86E-16
1.32E-16
6.25E-17
2.94E-17
1.49E-17
7.61E-18
3.88E-18
2.00E-18
1.04E-18
5.38E-19
2.77E-19
1.43E-19
7.31E-20
3.74E-20
1.92E-20
9.72E-21
5.08E-21
2.76E-21
1.59E-21
9.50E-22
6.57E-22
5.06E-22
4.25E-22
3.77E-22
3.47E-22
3.24E-22
3.09E-22
2.97E-22
2.87E-22
2.79E-22
2.70E-22
2.63E-22
2.56E-22
2.49E-22
2.43E-22
2.37E-22
2.31E-22
2.26E-22
2.21E-22
2.16E-22
2.11E-22
2.07E-22
2.02E-22

2.81E-12
2.26E-12
1.73E-12
1.31E-12
9.69E-13
6.91E-13
4.81E-13
3.21E-13
2.10E-13
1.32E-13
8.21E-14
4.89E-14
2.96E-14
1.76E-14
1.02E-14
5.83E-15
3.31E-15
1.86E-15
1.03E-15
5.66E-16
3.08E-16
1.67E-16
8.99E-17
4.75E-17
2.54E-17
1.37E-17
7.47E-18
3.94E-18
2.26E-18
1.37E-18
8.91E-19
6.19E-19
4.57E-19
3.40E-19
2.73E-19
2.26E-19
1.90E-19
1.61E-19
1.36E-19
1.16E-19
9.85E-20
8.43E-20
7.18E-20
6.06E-20
5.19E-20
4.47E-20
3.85E-20
3.31E-20
2.87E-20
2.49E-20
2.16E-20

5.34E-13
4.60E-13
3.78E-13
3.06E-13
2.41E-13
1.83E-13
1.35E-13
9.54E-14
6.57E-14
4.35E-14
2.83E-14
1.77E-14
1.12E-14
7.02E-15
4.31E-15
2.66E-15
1.65E-15
1.05E-15
6.82E-16
4.61E-16
3.26E-16
2.41E-16
1.85E-16
1.46E-16
1.19E-16
9.91E-17
8.34E-17
6.95E-17
5.89E-17
5.02E-17
4.29E-17
3.67E-17
3.14E-17
2.61E-17
2.22E-17
1.89E-17
1.61E-17
1.38E-17
1.16E-17
9.91E-18
8.34E-18
7.07E-18
5.96E-18
4.96E-18
4.19E-18
3.55E-18
3.01E-18
2.54E-18
2.15E-18
1.82E-18
1.54E-18

1.10E-14
6.84E-15
3.86E-15
2.18E-15
1.20E-15
6.36E-16
3.32E-16
1.68E-16
8.61E-17
4.39E-17
2.29E-17
1.18E-17
6.39E-18
3.47E-18
1.87E-18
1.01E-18
5.44E-19
2.92E-19
1.56E-19
8.29E-20
4.40E-20
2.36E-20
1.29E-20
7.15E-21
4.29E-21
2.81E-21
2.05E-21
1.62E-21
1.41E-21
1.29E-21
1.22E-21
1.18E-21
1.14E-21
1.11E-21
1.08E-21
1.06E-21
1.04E-21
1.02E-21
9.97E-22
9.75E-22
9.57E-22
9.38E-22
9.19E-22
8.99E-22
8.81E-22
8.64E-22
8.48E-22
8.31E-22
8.14E-22
7.99E-22
7.83E-22

6.99E-16
3.57E-16
1.62E-16
7.49E-17
3.41E-17
1.47E-17
6.19E-18
2.47E-18
9.79E-19
3.73E-19
1.43E-19
5.27E-20
2.09E-20
8.41E-21
3.48E-21
1.57E-21
8.07E-22
4.85E-22
3.41E-22
2.73E-22
2.38E-22
2.18E-22
2.05E-22
1.96E-22
1.89E-22
1.82E-22
1.77E-22
1.71E-22
1.66E-22
1.61E-22
1.57E-22
1.52E-22
1.48E-22
1.43E-22
1.39E-22
1.36E-22
1.32E-22
1.29E-22
1.25E-22
1.22E-22
1.19E-22
1.16E-22
1.12E-22
1.09E-22
1.06E-22
1.04E-22
1.01E-22
9.87E-23
9.63E-23
9.39E-23
9.16E-23

7.03E-18
6.03E-18
5.20E-18
4.48E-18
3.81E-18
3.29E-18
2.84E-18
2.68E-18

1.44E-21
1.23E-21
1.05E-21
8.93E-22
7.50E-22
6.40E-22
5.46E-22
5.13E-22

1.06E-09
1.05E-09
1.05E-09
1.05E-09
1.04E-09
1.04E-09
1.04E-09
1.03E-09

5.24E-10
5.28E-10
5.31E-10
5.35E-10
5.38E-10
5.41E-10
5.45E-10
5.46E-10

6.29E-16
6.27E-16
6.25E-16
6.23E-16
6.21E-16
6.19E-16
6.18E-16
6.17E-16

1.98E-22
1.94E-22
1.90E-22
1.86E-22
1.82E-22
1.78E-22
1.74E-22
1.73E-22

1.88E-20
1.64E-20
1.44E-20
1.27E-20
1.11E-20
9.92E-21
8.87E-21
8.50E-21

1.30E-18
1.10E-18
9.29E-19
7.87E-19
6.56E-19
5.55E-19
4.70E-19
4.40E-19

7.68E-22
7.53E-22
7.38E-22
7.24E-22
7.09E-22
6.96E-22
6.82E-22
6.77E-22

8.94E-23
8.73E-23
8.52E-23
8.33E-23
8.11E-23
7.93E-23
7.75E-23
7.68E-23

n
0.00E+00
1.73E-21
1.19E-20
3.97E-20
8.12E-20
1.45E-19
2.63E-19
4.71E-19
9.74E-19
2.81E-18
3.26E-16
1.39E-14
4.75E-14
7.72E-14
1.00E-13
1.15E-13
1.26E-13
1.35E-13
1.45E-13
1.51E-13
1.57E-13
1.64E-13
1.73E-13
1.84E-13
1.96E-13
2.08E-13
2.25E-13
2.41E-13
2.61E-13
2.90E-13
3.15E-13
3.57E-13
3.93E-13
4.54E-13
5.07E-13
5.63E-13
6.15E-13
6.75E-13
7.75E-13
8.64E-13
9.51E-13
1.03E-12
1.16E-12
1.28E-12
1.40E-12
1.52E-12
1.59E-12
1.62E-12
1.63E-12
1.61E-12

no
0.00E+00
3.33E-19
1.23E-18
2.76E-18
4.47E-18
6.68E-18
1.04E-17
1.66E-17
3.10E-17
8.29E-17
1.02E-14
2.11E-13
6.08E-13
9.88E-13
1.36E-12
1.67E-12
1.96E-12
2.32E-12
2.78E-12
3.08E-12
3.39E-12
3.74E-12
4.17E-12
4.65E-12
5.12E-12
5.59E-12
6.18E-12
6.69E-12
7.32E-12
8.15E-12
8.82E-12
9.89E-12
1.08E-11
1.21E-11
1.33E-11
1.44E-11
1.54E-11
1.66E-11
1.84E-11
2.00E-11
2.16E-11
2.31E-11
2.54E-11
2.78E-11
3.03E-11
3.38E-11
3.61E-11
3.84E-11
4.13E-11
4.35E-11

n2
1.00E-09
1.00E-09
1.00E-09
9.93E-10
9.70E-10
9.44E-10
9.06E-10
8.57E-10
7.79E-10
6.39E-10
3.84E-10
3.01E-10
2.66E-10
2.50E-10
2.40E-10
2.34E-10
2.30E-10
2.27E-10
2.24E-10
2.22E-10
2.21E-10
2.20E-10
2.19E-10
2.18E-10
2.18E-10
2.17E-10
2.17E-10
2.17E-10
2.17E-10
2.17E-10
2.18E-10
2.19E-10
2.19E-10
2.21E-10
2.22E-10
2.24E-10
2.25E-10
2.27E-10
2.29E-10
2.31E-10
2.33E-10
2.35E-10
2.38E-10
2.41E-10
2.44E-10
2.48E-10
2.50E-10
2.53E-10
2.56E-10
2.58E-10

n2o
1.00E-09
1.00E-09
1.00E-09
9.93E-10
9.70E-10
9.44E-10
9.06E-10
8.57E-10
7.79E-10
6.39E-10
3.84E-10
2.97E-10
2.57E-10
2.37E-10
2.24E-10
2.16E-10
2.10E-10
2.04E-10
1.98E-10
1.94E-10
1.91E-10
1.87E-10
1.83E-10
1.80E-10
1.76E-10
1.73E-10
1.69E-10
1.65E-10
1.62E-10
1.57E-10
1.53E-10
1.48E-10
1.44E-10
1.38E-10
1.33E-10
1.28E-10
1.24E-10
1.20E-10
1.13E-10
1.07E-10
1.02E-10
9.67E-11
8.94E-11
8.19E-11
7.45E-11
6.51E-11
5.90E-11
5.33E-11
4.67E-11
4.18E-11

no2
0.00E+00
2.03E-22
1.81E-21
6.35E-21
1.29E-20
2.28E-20
4.21E-20
7.58E-20
1.48E-19
3.15E-19
7.71E-18
3.75E-16
2.10E-15
5.41E-15
1.03E-14
1.56E-14
2.09E-14
2.72E-14
3.45E-14
3.86E-14
4.24E-14
4.59E-14
4.94E-14
5.24E-14
5.45E-14
5.59E-14
5.68E-14
5.69E-14
5.65E-14
5.50E-14
5.33E-14
5.00E-14
4.69E-14
4.19E-14
3.77E-14
3.38E-14
3.04E-14
2.71E-14
2.24E-14
1.90E-14
1.64E-14
1.44E-14
1.20E-14
1.01E-14
8.79E-15
7.58E-15
7.01E-15
6.61E-15
6.29E-15
6.17E-15

nh
0.00E+00
1.49E-19
5.52E-19
1.37E-18
2.36E-18
3.61E-18
5.52E-18
8.32E-18
1.42E-17
3.50E-17
8.82E-15
1.74E-13
4.58E-13
6.78E-13
8.41E-13
9.45E-13
1.02E-12
1.09E-12
1.16E-12
1.20E-12
1.24E-12
1.28E-12
1.33E-12
1.38E-12
1.44E-12
1.49E-12
1.56E-12
1.62E-12
1.69E-12
1.78E-12
1.86E-12
1.97E-12
2.07E-12
2.20E-12
2.31E-12
2.41E-12
2.50E-12
2.59E-12
2.71E-12
2.80E-12
2.87E-12
2.93E-12
2.98E-12
2.99E-12
2.97E-12
2.89E-12
2.79E-12
2.67E-12
2.48E-12
2.31E-12

hno
0.00E+00
6.97E-21
5.29E-20
1.94E-19
4.20E-19
7.90E-19
1.52E-18
2.82E-18
5.78E-18
1.47E-17
4.28E-16
8.96E-15
3.18E-14
6.47E-14
1.06E-13
1.46E-13
1.82E-13
2.19E-13
2.56E-13
2.74E-13
2.87E-13
2.99E-13
3.09E-13
3.18E-13
3.25E-13
3.30E-13
3.36E-13
3.42E-13
3.48E-13
3.56E-13
3.63E-13
3.73E-13
3.82E-13
3.94E-13
4.04E-13
4.12E-13
4.20E-13
4.27E-13
4.36E-13
4.42E-13
4.45E-13
4.47E-13
4.47E-13
4.42E-13
4.33E-13
4.15E-13
4.00E-13
3.82E-13
3.57E-13
3.36E-13

nh2
0.00E+00
1.93E-24
1.27E-23
4.73E-23
1.08E-22
2.11E-22
4.21E-22
8.14E-22
1.81E-21
5.79E-21
2.07E-18
3.15E-16
3.04E-15
9.93E-15
2.20E-14
3.64E-14
5.29E-14
7.42E-14
1.03E-13
1.21E-13
1.38E-13
1.56E-13
1.78E-13
1.99E-13
2.19E-13
2.37E-13
2.58E-13
2.75E-13
2.95E-13
3.20E-13
3.39E-13
3.67E-13
3.89E-13
4.23E-13
4.49E-13
4.74E-13
4.96E-13
5.19E-13
5.54E-13
5.81E-13
6.06E-13
6.27E-13
6.56E-13
6.80E-13
6.99E-13
7.13E-13
7.15E-13
7.11E-13
6.95E-13
6.76E-13

nnh
0.00E+00
1.50E-22
3.50E-22
5.79E-22
7.25E-22
8.37E-22
1.02E-21
1.24E-21
1.69E-21
2.69E-21
1.74E-20
2.25E-20
1.60E-20
1.49E-20
1.70E-20
2.03E-20
2.42E-20
2.96E-20
3.71E-20
4.22E-20
4.79E-20
5.46E-20
6.34E-20
7.45E-20
8.58E-20
9.77E-20
1.14E-19
1.29E-19
1.50E-19
1.77E-19
2.03E-19
2.44E-19
2.83E-19
3.44E-19
4.03E-19
4.58E-19
5.16E-19
5.81E-19
6.87E-19
7.87E-19
8.76E-19
9.71E-19
1.10E-18
1.24E-18
1.37E-18
1.52E-18
1.59E-18
1.63E-18
1.66E-18
1.66E-18

cn
0.00E+00
3.29E-29
1.34E-27
1.22E-26
4.51E-26
1.35E-25
4.30E-25
1.33E-24
4.97E-24
2.45E-23
5.99E-22
8.94E-20
1.32E-18
5.65E-18
1.48E-17
2.66E-17
4.02E-17
5.81E-17
8.33E-17
1.01E-16
1.20E-16
1.43E-16
1.74E-16
2.11E-16
2.50E-16
2.93E-16
3.52E-16
4.09E-16
4.84E-16
5.96E-16
6.98E-16
8.79E-16
1.05E-15
1.35E-15
1.65E-15
1.98E-15
2.33E-15
2.75E-15
3.54E-15
4.32E-15
5.19E-15
6.10E-15
7.68E-15
9.58E-15
1.18E-14
1.51E-14
1.74E-14
1.98E-14
2.28E-14
2.51E-14

1.55E-12
1.47E-12
1.36E-12
1.24E-12
1.11E-12
9.83E-13
8.61E-13
7.44E-13
6.40E-13
5.47E-13
4.68E-13
3.99E-13
3.44E-13
2.98E-13
2.58E-13
2.25E-13
1.97E-13
1.73E-13
1.53E-13
1.36E-13
1.22E-13
1.09E-13
9.87E-14
8.93E-14
8.14E-14
7.47E-14
6.88E-14
6.33E-14
5.88E-14
5.50E-14
5.17E-14
4.88E-14
4.62E-14
4.36E-14
4.16E-14
3.99E-14
3.84E-14
3.70E-14
3.57E-14
3.47E-14
3.36E-14
3.28E-14
3.20E-14
3.12E-14
3.06E-14
3.00E-14
2.95E-14
2.91E-14
2.87E-14
2.83E-14
2.80E-14

4.61E-11
4.84E-11
5.08E-11
5.29E-11
5.48E-11
5.66E-11
5.83E-11
5.98E-11
6.12E-11
6.24E-11
6.34E-11
6.44E-11
6.52E-11
6.58E-11
6.64E-11
6.69E-11
6.74E-11
6.77E-11
6.80E-11
6.83E-11
6.86E-11
6.88E-11
6.89E-11
6.91E-11
6.92E-11
6.93E-11
6.94E-11
6.95E-11
6.96E-11
6.97E-11
6.97E-11
6.98E-11
6.98E-11
6.98E-11
6.99E-11
6.99E-11
6.99E-11
6.99E-11
6.99E-11
6.99E-11
7.00E-11
7.00E-11
7.00E-11
7.00E-11
7.00E-11
7.00E-11
7.00E-11
7.00E-11
7.00E-11
7.00E-11
7.00E-11

2.60E-10
2.63E-10
2.65E-10
2.67E-10
2.69E-10
2.71E-10
2.72E-10
2.74E-10
2.75E-10
2.76E-10
2.77E-10
2.78E-10
2.79E-10
2.79E-10
2.80E-10
2.80E-10
2.81E-10
2.81E-10
2.81E-10
2.81E-10
2.81E-10
2.82E-10
2.82E-10
2.82E-10
2.82E-10
2.82E-10
2.82E-10
2.82E-10
2.82E-10
2.82E-10
2.82E-10
2.82E-10
2.82E-10
2.82E-10
2.82E-10
2.82E-10
2.82E-10
2.82E-10
2.81E-10
2.81E-10
2.81E-10
2.81E-10
2.81E-10
2.81E-10
2.81E-10
2.81E-10
2.81E-10
2.81E-10
2.81E-10
2.81E-10
2.81E-10

3.67E-11
3.23E-11
2.79E-11
2.43E-11
2.11E-11
1.82E-11
1.56E-11
1.33E-11
1.14E-11
9.64E-12
8.17E-12
6.86E-12
5.83E-12
4.93E-12
4.16E-12
3.50E-12
2.95E-12
2.48E-12
2.08E-12
1.74E-12
1.46E-12
1.22E-12
1.01E-12
8.40E-13
6.97E-13
5.78E-13
4.79E-13
3.89E-13
3.20E-13
2.63E-13
2.17E-13
1.78E-13
1.47E-13
1.16E-13
9.46E-14
7.73E-14
6.34E-14
5.19E-14
4.19E-14
3.42E-14
2.76E-14
2.24E-14
1.81E-14
1.45E-14
1.18E-14
9.62E-15
7.88E-15
6.45E-15
5.32E-15
4.40E-15
3.65E-15

6.16E-15
6.25E-15
6.45E-15
6.70E-15
6.99E-15
7.32E-15
7.66E-15
8.00E-15
8.33E-15
8.64E-15
8.91E-15
9.17E-15
9.37E-15
9.56E-15
9.71E-15
9.84E-15
9.95E-15
1.00E-14
1.01E-14
1.02E-14
1.02E-14
1.02E-14
1.02E-14
1.03E-14
1.03E-14
1.03E-14
1.02E-14
1.02E-14
1.02E-14
1.02E-14
1.02E-14
1.02E-14
1.01E-14
1.01E-14
1.01E-14
1.01E-14
1.00E-14
1.00E-14
9.97E-15
9.95E-15
9.92E-15
9.90E-15
9.87E-15
9.84E-15
9.82E-15
9.79E-15
9.77E-15
9.75E-15
9.73E-15
9.71E-15
9.69E-15

2.11E-12
1.91E-12
1.69E-12
1.49E-12
1.30E-12
1.13E-12
9.74E-13
8.30E-13
7.07E-13
5.98E-13
5.08E-13
4.28E-13
3.65E-13
3.11E-13
2.65E-13
2.27E-13
1.94E-13
1.67E-13
1.43E-13
1.24E-13
1.07E-13
9.28E-14
8.07E-14
7.01E-14
6.13E-14
5.37E-14
4.73E-14
4.12E-14
3.64E-14
3.23E-14
2.88E-14
2.57E-14
2.31E-14
2.04E-14
1.84E-14
1.67E-14
1.52E-14
1.38E-14
1.26E-14
1.15E-14
1.06E-14
9.72E-15
8.95E-15
8.23E-15
7.63E-15
7.10E-15
6.63E-15
6.19E-15
5.81E-15
5.46E-15
5.15E-15

3.10E-13
2.85E-13
2.56E-13
2.30E-13
2.06E-13
1.82E-13
1.60E-13
1.40E-13
1.21E-13
1.04E-13
8.99E-14
7.69E-14
6.64E-14
5.74E-14
4.95E-14
4.28E-14
3.71E-14
3.23E-14
2.82E-14
2.47E-14
2.17E-14
1.92E-14
1.71E-14
1.52E-14
1.36E-14
1.23E-14
1.11E-14
1.00E-14
9.17E-15
8.43E-15
7.79E-15
7.24E-15
6.76E-15
6.26E-15
5.88E-15
5.55E-15
5.27E-15
5.01E-15
4.77E-15
4.57E-15
4.38E-15
4.21E-15
4.06E-15
3.91E-15
3.79E-15
3.68E-15
3.59E-15
3.50E-15
3.42E-15
3.34E-15
3.28E-15

6.47E-13
6.12E-13
5.68E-13
5.23E-13
4.77E-13
4.29E-13
3.82E-13
3.35E-13
2.91E-13
2.51E-13
2.16E-13
1.84E-13
1.58E-13
1.36E-13
1.16E-13
9.99E-14
8.62E-14
7.46E-14
6.49E-14
5.67E-14
4.98E-14
4.40E-14
3.91E-14
3.47E-14
3.11E-14
2.80E-14
2.53E-14
2.27E-14
2.06E-14
1.87E-14
1.71E-14
1.57E-14
1.44E-14
1.30E-14
1.19E-14
1.09E-14
1.00E-14
9.25E-15
8.47E-15
7.80E-15
7.14E-15
6.57E-15
6.02E-15
5.49E-15
5.05E-15
4.65E-15
4.28E-15
3.93E-15
3.62E-15
3.34E-15
3.08E-15

1.62E-18
1.55E-18
1.45E-18
1.35E-18
1.24E-18
1.12E-18
1.00E-18
8.90E-19
7.86E-19
6.91E-19
6.08E-19
5.32E-19
4.71E-19
4.18E-19
3.71E-19
3.32E-19
2.98E-19
2.69E-19
2.45E-19
2.24E-19
2.06E-19
1.91E-19
1.79E-19
1.67E-19
1.58E-19
1.50E-19
1.44E-19
1.37E-19
1.33E-19
1.29E-19
1.25E-19
1.22E-19
1.20E-19
1.18E-19
1.16E-19
1.14E-19
1.13E-19
1.12E-19
1.11E-19
1.11E-19
1.10E-19
1.10E-19
1.09E-19
1.09E-19
1.09E-19
1.09E-19
1.08E-19
1.08E-19
1.08E-19
1.08E-19
1.08E-19

2.74E-14
2.94E-14
3.12E-14
3.24E-14
3.33E-14
3.38E-14
3.39E-14
3.38E-14
3.33E-14
3.26E-14
3.17E-14
3.06E-14
2.95E-14
2.83E-14
2.70E-14
2.57E-14
2.44E-14
2.32E-14
2.19E-14
2.07E-14
1.95E-14
1.83E-14
1.72E-14
1.61E-14
1.51E-14
1.41E-14
1.32E-14
1.23E-14
1.14E-14
1.06E-14
9.92E-15
9.23E-15
8.59E-15
7.89E-15
7.31E-15
6.79E-15
6.31E-15
5.85E-15
5.40E-15
5.01E-15
4.61E-15
4.27E-15
3.93E-15
3.61E-15
3.33E-15
3.07E-15
2.84E-15
2.62E-15
2.42E-15
2.23E-15
2.06E-15

2.77E-14
2.75E-14
2.72E-14
2.70E-14
2.68E-14
2.66E-14
2.65E-14
2.64E-14

7.00E-11
7.00E-11
7.00E-11
7.00E-11
7.00E-11
7.00E-11
7.00E-11
7.00E-11

2.81E-10
2.81E-10
2.81E-10
2.81E-10
2.81E-10
2.81E-10
2.81E-10
2.81E-10

3.05E-15
2.55E-15
2.15E-15
1.83E-15
1.55E-15
1.34E-15
1.17E-15
1.11E-15

9.67E-15
9.65E-15
9.63E-15
9.61E-15
9.59E-15
9.57E-15
9.56E-15
9.55E-15

4.86E-15
4.59E-15
4.35E-15
4.14E-15
3.92E-15
3.75E-15
3.58E-15
3.52E-15

3.22E-15
3.16E-15
3.11E-15
3.07E-15
3.02E-15
2.98E-15
2.95E-15
2.94E-15

2.84E-15
2.61E-15
2.41E-15
2.23E-15
2.05E-15
1.89E-15
1.75E-15
1.70E-15

1.08E-19
1.08E-19
1.08E-19
1.09E-19
1.09E-19
1.09E-19
1.09E-19
1.09E-19

1.90E-15
1.75E-15
1.61E-15
1.49E-15
1.36E-15
1.26E-15
1.16E-15
1.12E-15

nco
0.00E+00
9.54E-27
5.13E-25
4.73E-24
1.50E-23
3.56E-23
8.54E-23
2.00E-22
5.73E-22
2.31E-21
1.61E-19
9.00E-18
5.60E-17
1.66E-16
3.67E-16
6.14E-16
8.98E-16
1.26E-15
1.73E-15
2.02E-15
2.30E-15
2.58E-15
2.91E-15
3.25E-15
3.55E-15
3.85E-15
4.19E-15
4.50E-15
4.86E-15
5.34E-15
5.74E-15
6.39E-15
6.95E-15
7.88E-15
8.73E-15
9.63E-15
1.05E-14
1.16E-14
1.35E-14
1.53E-14
1.73E-14
1.93E-14
2.26E-14
2.65E-14
3.08E-14
3.70E-14
4.12E-14
4.53E-14
5.01E-14
5.35E-14

hcn
0.00E+00
1.26E-23
3.44E-22
2.46E-21
7.17E-21
1.58E-20
3.34E-20
6.36E-20
1.23E-19
2.46E-19
2.94E-18
2.98E-16
2.98E-15
1.01E-14
2.26E-14
3.72E-14
5.34E-14
7.39E-14
1.01E-13
1.18E-13
1.35E-13
1.53E-13
1.75E-13
1.99E-13
2.21E-13
2.43E-13
2.70E-13
2.93E-13
3.21E-13
3.58E-13
3.89E-13
4.37E-13
4.76E-13
5.40E-13
5.94E-13
6.48E-13
6.98E-13
7.54E-13
8.44E-13
9.22E-13
9.97E-13
1.07E-12
1.17E-12
1.27E-12
1.36E-12
1.46E-12
1.52E-12
1.56E-12
1.60E-12
1.61E-12

hocn
0.00E+00
1.55E-30
8.30E-29
9.85E-28
4.26E-27
1.39E-26
4.78E-26
1.54E-25
5.95E-25
3.13E-24
1.32E-22
3.19E-20
5.19E-19
2.45E-18
7.38E-18
1.52E-17
2.62E-17
4.40E-17
7.40E-17
9.76E-17
1.25E-16
1.58E-16
2.03E-16
2.59E-16
3.17E-16
3.81E-16
4.66E-16
5.46E-16
6.49E-16
7.95E-16
9.21E-16
1.14E-15
1.33E-15
1.65E-15
1.94E-15
2.25E-15
2.55E-15
2.91E-15
3.53E-15
4.11E-15
4.73E-15
5.34E-15
6.34E-15
7.47E-15
8.70E-15
1.04E-14
1.16E-14
1.27E-14
1.41E-14
1.50E-14

hno2
0.00E+00
1.41E-33
3.33E-32
3.35E-31
1.50E-30
5.34E-30
2.09E-29
8.26E-29
4.62E-28
5.36E-27
3.03E-23
2.89E-20
3.72E-19
9.68E-19
1.75E-18
2.53E-18
3.22E-18
3.85E-18
4.35E-18
4.53E-18
4.64E-18
4.70E-18
4.71E-18
4.67E-18
4.59E-18
4.47E-18
4.30E-18
4.13E-18
3.94E-18
3.63E-18
3.41E-18
3.05E-18
2.79E-18
2.40E-18
2.13E-18
1.87E-18
1.68E-18
1.48E-18
1.22E-18
1.05E-18
9.06E-19
8.05E-19
6.80E-19
5.89E-19
5.22E-19
4.65E-19
4.38E-19
4.21E-19
4.11E-19
4.10E-19

hono
0.00E+00
7.59E-25
1.20E-23
7.18E-23
2.01E-22
4.53E-22
1.03E-21
2.23E-21
5.26E-21
1.36E-20
8.83E-20
3.40E-18
1.38E-17
2.73E-17
4.49E-17
6.21E-17
7.68E-17
8.97E-17
9.93E-17
1.02E-16
1.04E-16
1.04E-16
1.03E-16
1.01E-16
9.88E-17
9.53E-17
9.08E-17
8.66E-17
8.19E-17
7.47E-17
6.96E-17
6.15E-17
5.59E-17
4.75E-17
4.18E-17
3.65E-17
3.26E-17
2.87E-17
2.35E-17
2.02E-17
1.73E-17
1.54E-17
1.29E-17
1.12E-17
9.88E-18
8.78E-18
8.27E-18
7.95E-18
7.75E-18
7.73E-18

hono2
0.00E+00
1.67E-41
1.27E-39
2.01E-38
9.27E-38
3.03E-37
1.04E-36
3.55E-36
1.59E-35
1.08E-34
6.88E-33
1.77E-30
2.88E-29
1.31E-28
4.25E-28
1.06E-27
2.32E-27
5.10E-27
1.14E-26
1.75E-26
2.51E-26
3.51E-26
4.97E-26
6.80E-26
8.70E-26
1.07E-25
1.33E-25
1.55E-25
1.81E-25
2.13E-25
2.37E-25
2.69E-25
2.92E-25
3.20E-25
3.38E-25
3.51E-25
3.61E-25
3.70E-25
3.80E-25
3.86E-25
3.90E-25
3.93E-25
3.97E-25
4.01E-25
4.04E-25
4.08E-25
4.11E-25
4.15E-25
4.20E-25
4.24E-25

no3
0.00E+00
2.10E-31
4.14E-30
2.25E-29
5.39E-29
1.08E-28
2.32E-28
5.11E-28
1.33E-27
3.99E-27
1.86E-26
8.69E-25
4.24E-24
9.73E-24
2.11E-23
4.05E-23
7.00E-23
1.18E-22
1.95E-22
2.47E-22
3.02E-22
3.60E-22
4.25E-22
4.89E-22
5.38E-22
5.74E-22
6.04E-22
6.18E-22
6.23E-22
6.02E-22
5.79E-22
5.23E-22
4.76E-22
3.95E-22
3.36E-22
2.82E-22
2.43E-22
2.06E-22
1.61E-22
1.36E-22
1.18E-22
1.07E-22
9.69E-23
9.19E-23
8.96E-23
8.97E-23
9.04E-23
9.15E-23
9.37E-23
9.56E-23

Temperature(K)
8.00E+02
7.68E+02
7.66E+02
7.73E+02
7.82E+02
7.93E+02
8.09E+02
8.29E+02
8.64E+02
9.37E+02
1.41E+03
1.73E+03
1.92E+03
2.03E+03
2.10E+03
2.15E+03
2.19E+03
2.22E+03
2.25E+03
2.27E+03
2.29E+03
2.30E+03
2.32E+03
2.34E+03
2.35E+03
2.37E+03
2.38E+03
2.40E+03
2.41E+03
2.43E+03
2.44E+03
2.46E+03
2.47E+03
2.49E+03
2.51E+03
2.52E+03
2.53E+03
2.54E+03
2.56E+03
2.58E+03
2.59E+03
2.61E+03
2.63E+03
2.65E+03
2.67E+03
2.69E+03
2.71E+03
2.72E+03
2.74E+03
2.75E+03

5.70E-14
5.97E-14
6.22E-14
6.39E-14
6.52E-14
6.60E-14
6.65E-14
6.65E-14
6.62E-14
6.54E-14
6.43E-14
6.28E-14
6.11E-14
5.92E-14
5.71E-14
5.48E-14
5.24E-14
4.99E-14
4.74E-14
4.50E-14
4.25E-14
4.00E-14
3.77E-14
3.53E-14
3.31E-14
3.09E-14
2.89E-14
2.68E-14
2.49E-14
2.32E-14
2.15E-14
2.00E-14
1.86E-14
1.70E-14
1.57E-14
1.45E-14
1.35E-14
1.25E-14
1.15E-14
1.06E-14
9.72E-15
8.95E-15
8.22E-15
7.51E-15
6.90E-15
6.35E-15
5.85E-15
5.37E-15
4.95E-15
4.55E-15
4.19E-15

1.61E-12
1.60E-12
1.58E-12
1.55E-12
1.51E-12
1.46E-12
1.41E-12
1.35E-12
1.29E-12
1.23E-12
1.17E-12
1.10E-12
1.04E-12
9.85E-13
9.27E-13
8.71E-13
8.18E-13
7.67E-13
7.18E-13
6.72E-13
6.28E-13
5.86E-13
5.47E-13
5.09E-13
4.73E-13
4.40E-13
4.10E-13
3.78E-13
3.51E-13
3.25E-13
3.02E-13
2.80E-13
2.60E-13
2.37E-13
2.19E-13
2.03E-13
1.88E-13
1.74E-13
1.60E-13
1.48E-13
1.36E-13
1.25E-13
1.15E-13
1.06E-13
9.71E-14
8.95E-14
8.25E-14
7.59E-14
7.00E-14
6.45E-14
5.94E-14

1.60E-14
1.68E-14
1.75E-14
1.79E-14
1.82E-14
1.83E-14
1.83E-14
1.81E-14
1.78E-14
1.73E-14
1.68E-14
1.62E-14
1.56E-14
1.49E-14
1.42E-14
1.35E-14
1.27E-14
1.20E-14
1.13E-14
1.06E-14
9.98E-15
9.34E-15
8.73E-15
8.12E-15
7.57E-15
7.04E-15
6.54E-15
6.03E-15
5.58E-15
5.16E-15
4.78E-15
4.43E-15
4.09E-15
3.73E-15
3.43E-15
3.17E-15
2.92E-15
2.70E-15
2.47E-15
2.28E-15
2.09E-15
1.92E-15
1.76E-15
1.60E-15
1.47E-15
1.35E-15
1.24E-15
1.14E-15
1.04E-15
9.59E-16
8.80E-16

4.17E-19
4.27E-19
4.45E-19
4.66E-19
4.90E-19
5.16E-19
5.42E-19
5.68E-19
5.93E-19
6.16E-19
6.37E-19
6.56E-19
6.72E-19
6.85E-19
6.97E-19
7.07E-19
7.15E-19
7.22E-19
7.27E-19
7.31E-19
7.35E-19
7.37E-19
7.38E-19
7.39E-19
7.40E-19
7.40E-19
7.39E-19
7.39E-19
7.38E-19
7.36E-19
7.35E-19
7.34E-19
7.32E-19
7.30E-19
7.28E-19
7.26E-19
7.25E-19
7.23E-19
7.21E-19
7.19E-19
7.17E-19
7.16E-19
7.14E-19
7.12E-19
7.10E-19
7.08E-19
7.07E-19
7.05E-19
7.04E-19
7.02E-19
7.01E-19

7.87E-18
8.06E-18
8.39E-18
8.80E-18
9.25E-18
9.75E-18
1.02E-17
1.08E-17
1.12E-17
1.17E-17
1.21E-17
1.24E-17
1.27E-17
1.30E-17
1.32E-17
1.34E-17
1.35E-17
1.37E-17
1.38E-17
1.38E-17
1.39E-17
1.39E-17
1.40E-17
1.40E-17
1.40E-17
1.40E-17
1.40E-17
1.40E-17
1.39E-17
1.39E-17
1.39E-17
1.38E-17
1.38E-17
1.38E-17
1.37E-17
1.37E-17
1.37E-17
1.36E-17
1.36E-17
1.36E-17
1.35E-17
1.35E-17
1.34E-17
1.34E-17
1.34E-17
1.33E-17
1.33E-17
1.33E-17
1.32E-17
1.32E-17
1.32E-17

4.29E-25
4.34E-25
4.41E-25
4.47E-25
4.53E-25
4.60E-25
4.68E-25
4.76E-25
4.84E-25
4.92E-25
5.01E-25
5.10E-25
5.18E-25
5.26E-25
5.35E-25
5.44E-25
5.52E-25
5.61E-25
5.70E-25
5.78E-25
5.87E-25
5.96E-25
6.04E-25
6.13E-25
6.21E-25
6.30E-25
6.38E-25
6.48E-25
6.56E-25
6.65E-25
6.73E-25
6.81E-25
6.90E-25
6.99E-25
7.08E-25
7.16E-25
7.24E-25
7.32E-25
7.41E-25
7.49E-25
7.57E-25
7.65E-25
7.74E-25
7.82E-25
7.90E-25
7.98E-25
8.06E-25
8.14E-25
8.22E-25
8.30E-25
8.38E-25

9.80E-23
9.97E-23
1.02E-22
1.04E-22
1.06E-22
1.09E-22
1.11E-22
1.13E-22
1.14E-22
1.16E-22
1.18E-22
1.19E-22
1.20E-22
1.21E-22
1.21E-22
1.22E-22
1.22E-22
1.22E-22
1.22E-22
1.22E-22
1.22E-22
1.22E-22
1.22E-22
1.21E-22
1.21E-22
1.21E-22
1.20E-22
1.20E-22
1.19E-22
1.19E-22
1.19E-22
1.18E-22
1.18E-22
1.17E-22
1.17E-22
1.16E-22
1.16E-22
1.15E-22
1.15E-22
1.15E-22
1.14E-22
1.14E-22
1.13E-22
1.13E-22
1.13E-22
1.12E-22
1.12E-22
1.12E-22
1.11E-22
1.11E-22
1.11E-22

2.76E+03
2.77E+03
2.78E+03
2.79E+03
2.79E+03
2.79E+03
2.80E+03
2.80E+03
2.80E+03
2.80E+03
2.80E+03
2.80E+03
2.81E+03
2.81E+03
2.81E+03
2.81E+03
2.81E+03
2.81E+03
2.81E+03
2.81E+03
2.81E+03
2.81E+03
2.81E+03
2.81E+03
2.81E+03
2.81E+03
2.81E+03
2.81E+03
2.82E+03
2.82E+03
2.82E+03
2.82E+03
2.82E+03
2.82E+03
2.82E+03
2.82E+03
2.82E+03
2.82E+03
2.82E+03
2.82E+03
2.82E+03
2.82E+03
2.82E+03
2.82E+03
2.82E+03
2.82E+03
2.82E+03
2.82E+03
2.82E+03
2.82E+03
2.82E+03

3.85E-15
3.54E-15
3.25E-15
3.00E-15
2.73E-15
2.52E-15
2.32E-15
2.24E-15

5.47E-14
5.03E-14
4.64E-14
4.28E-14
3.91E-14
3.60E-14
3.32E-14
3.22E-14

8.08E-16
7.41E-16
6.80E-16
6.26E-16
5.70E-16
5.24E-16
4.82E-16
4.66E-16

6.99E-19
6.98E-19
6.97E-19
6.95E-19
6.94E-19
6.93E-19
6.92E-19
6.91E-19

1.32E-17
1.31E-17
1.31E-17
1.31E-17
1.30E-17
1.30E-17
1.30E-17
1.30E-17

8.45E-25
8.53E-25
8.61E-25
8.68E-25
8.76E-25
8.84E-25
8.91E-25
8.94E-25

1.10E-22
1.10E-22
1.10E-22
1.09E-22
1.09E-22
1.09E-22
1.09E-22
1.09E-22

2.82E+03
2.82E+03
2.82E+03
2.82E+03
2.82E+03
2.83E+03
2.83E+03
2.83E+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\

Although the ignition event requires about 5 minutes, to fully discover


the final equilibrium profiles, the simulation requires about 40 minutes
on a PentiumIV.

Kintecus Switches
-show -THERM -OF

I am using the German/Russian version of Excel =

fully discover
t 40 minutes

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.

Model Description SpreadSheet


#
#
# Marinov, N. M., Pitz, W.J., Westbrook, C.K., Hori, M., and Matsunaga, N.
# "An Experimental and Kinetic Calculation of the Promotion Effect of Hydrocarbons
# on the NO-NO2 Conversion in a Flow Reactor",
# 27th Symposium (International) on Combustion,
# The Combustion Institute, Pittsburgh, PA, 1998.(UCRL-JC- 129372).
#
#A
T^m
Ea
# 50600
2.67
6290
# ' oh+h2=h+h2o
2.14E+08 1.52 3449.0 !Marinov 1995a'
2.14E+08
1.52
3449
# 'o+oh=o2+h 2.02E+14 -0.4 0.0 !Marinov 1995a'
2.02E+14
-0.4
0
# 'o+h2=oh+h 5.06E+04 2.67 6290.0 !Marinov 1995a'
5.06E+04
2.67
6290
# 'h+o2(+m)=ho2(+m) 4.52E+13 0.0 0.0 !Marinov 1995a'
#
'low / 1.05E+19 -1.257 0.0 /'
#
'h2o/0.0/ h2/0.0/ n2/0.0/ ch4/10.0/ co2/3.8/ co/1.9/'
4.52E+13
0
0
# 'h+o2(+n2)=ho2(+n2) 4.52E+13 0.0 0.0 !Marinov 1995a'
#
'low / 2.03E+20 -1.59 0.0 /'
4.52E+13
0
0
# 'h+o2(+h2)=ho2(+h2) 4.52E+13 0.0 0.0 !Marinov 1995a'
#
'low / 1.52E+19 -1.133 0.0 /'
4.52E+13
0
0
# 'h+o2(+h2o)=ho2(+h2o) 4.52E+13 0.0 0.0 !Marinov 1995a'
#
'low / 2.10E+23 -2.437 0.0 /'
4.52E+13
0
0
# 'oh+ho2=h2o+o2 2.13E+28 -4.827 3500.0 !Hippler 1995'
2.13E+28
-4.827
3500
# 'dup !Hippler 1995'
# ' oh+ho2=h2o+o2
9.10E+14 0.0 10964.0 !Hippler 1995 '
9.10E+14
0
10964
# 'dup !Hippler 1995'
# ' h+ho2=oh+oh
1.50E+14 0.0 1000.0 !Marinov 1995a'
1.50E+14
0
1000
# 'h+ho2=h2+o2 6.63E+13 0.0 2126.0 !Tsang 1986x'
6.63E+13
0
2126
# 'h+ho2=o+h2o 3.01E+13 0.0 1721.0 !Marinov 1995a'
3.01E+13
0
1721
# 'o+ho2=o2+oh 3.25E+13 0.0 0.0 !Marinov 1995a'
3.25E+13
0
0
# 'oh+oh=o+h2o 3.57E+04 2.4 -2112.0 !Marinov 1995a'
3.57E+04
2.4
-2112
# 'h+h+m=h2+m 1.00E+18 -1.0 0.0 !Marinov 1995a'
#
'h2o/0.0/ h2/0.0/'
1.00E+18
-1
0
# 'h+h+h2=h2+h2 9.20E+16 -0.6 0.0 !Marinov 1995a'
9.20E+16
-0.6
0

# 'h+h+h2o=h2+h2o 6.00E+19 -1.25 0.0 !Marinov 1995a'


6.00E+19
-1.25
0
# 'h+oh+m=h2o+m 2.21E+22 -2.0 0.0 !Marinov 1995a'
#
'h2o/6.4/'
2.21E+22
-2
0
# 'h+o+m=oh+m 4.71E+18 -1.0 0.0 !Marinov 1995a'
#
'h2o/6.4/'
4.71E+18
-1
0
# 'o+o+m=o2+m 1.89E+13 0.0 -1788.0 !Marinov 1995a'
1.89E+13
0
-1788
# 'ho2+ho2=h2o2+o2 4.20E+14 0.0 11982.0 !Marinov 1995a'
4.20E+14
0
11982
# 'dup !Marinov 1995a'
# ' ho2+ho2=h2o2+o2
1.30E+11 0.0 -1629.0 !Marinov 1995a'
1.30E+11
0
-1629
# 'dup !Marinov 1995a'
# ' oh+oh(+m)=h2o2(+m)
1.24E+14 -0.37 0.0 !Marinov 1995a'
#
'low / 3.04E+30 -4.63 2049.0 /'
#
'troe / 0.470 100.0 2000.0 1.0E+15/'
1.24E+14
-0.37
0
# 'h2o2+h=ho2+h2 1.98E+06 2.0 2435.0 !Marinov 1995a'
1.98E+06
2
2435
# 'h2o2+h=oh+h2o 3.07E+13 0.0 4217.0 !Marinov 1995a'
3.07E+13
0
4217
# 'h2o2+o=oh+ho2 9.55E+06 2.0 3970.0 !Marinov 1995a'
9.55E+06
2
3970
# 'h2o2+oh=h2o+ho2 2.40E+00 4.042 -2162.0 !Marinov 1995a'
2.40E+00
4.042
-2162
# 'ch3+ch3(+m)=c2h6(+m) 9.22E+16 -1.174 636.0 !Walter 1990'
#
'low / 1.14E+36 -5.246 1705.0/'
#
'troe/ 0.405 1120.0 69.6 1.0E+15/'
#
'h2o/5.0/ h2/2.0/ co2/3.0/ co/2.0/'
9.22E+16
-1.174
636
# 'ch3+h(+m)=ch4(+m) 2.14E+15 -0.4 0.0 !Tsang 1986'
#
'low/ 3.31E+30 -4.0 2108.0 /'
#
'troe / 0.0 1.0E-15 1.0E-15 40.0/'
#
'h2o/5.0/ h2/2.0/ co2/3.0/ co/2.0/'
2.14E+15
-0.4
0
# 'ch4+h=ch3+h2 2.20E+04 3.0 8750.0 !Miller 1992'
2.20E+04
3
8750
# 'ch4+oh=ch3+h2o 4.19E+06 2.0 2547.0 !Marinov 1995'
4.19E+06
2
2547
# 'ch4+o=ch3+oh 6.92E+08 1.56 8485.0 !Marinov 1995'
6.92E+08
1.56
8485
# 'ch4+ho2=ch3+h2o2 1.12E+13 0.0 24640.0 !Marinov 1995'
1.12E+13
0
24640
# 'ch3+ho2=ch3o+oh 7.00E+12 0.0 0.0 !Troe 1993'
7.00E+12
0
0
# 'ch3+ho2=ch4+o2 3.00E+12 0.0 0.0 !Marinov 1995'
3.00E+12
0
0
# 'ch3+o=ch2o+h 8.00E+13 0.0 0.0 !Marinov 1995'

8.00E+13
0
0
# 'ch3+o2=ch3o+o 1.45E+13 0.0 29209.0 !Klatt 1991'
1.45E+13
0
29209
# 'ch3+o2=ch2o+oh 3.51E+11 0.0 14640.0 !Marinov 1995'
3.51E+11
0
14640
# 'ch3+o2=ch3o2 9.03E+58 -15.0 17023.0 !Tsang 1986'
9.03E+58
-15
17023
# 'ch3o2+o=ch3o+o2 2.60E+13 0.0 0.0 !Zellner 1988 ch3o2+h=ch3o+oh 9.64E+13 0.0 0.0 !Tsang 1986 !Tsang 1986'
2.60E+13
0
0
# 'ch3o2+ch3=ch3o+ch3o 2.40E+13 0.0 0.0 !Tsang 1986'
2.40E+13
0
0
# 'ch3o2+ho2=ch3ooh+o2 2.29E+11 0.0 -1550.0 !Atkinson 1992'
2.29E+11
0
-1550
# 'ch3ooh=ch3o+oh 6.00E+14 0.0 42300.0 !Lightfoot 1991'
6.00E+14
0
42300
# 'ch3ooh+oh=ch3o2+h2o 3.12E+6 2.0 -298.0 !This Study'
3.12E+06
2
-298
# 'ch3o+h=ch3+oh 1.00E+13 0.0 0.0 !Marinov 1998'
1.00E+13
0
0
# 'ch2oh+h=ch3+oh 1.00E+13 0.0 0.0 !Marinov 1998'
1.00E+13
0
0
# 'ch3+oh=ch2(s)+h2o 2.65E+13 0.0 2186.0 !Humpfer 1994'
2.65E+13
0
2186
# 'ch3+oh=ch2+h2o 3.00E+06 2.0 2500.0 !Marinov 1996'
3.00E+06
2
2500
# 'ch3+oh=hcoh+h2 5.48E+13 0.0 2981.0 !Humpfer 1994'
5.48E+13
0
2981
# 'ch3+h=ch2+h2 9.00E+13 0.0 15100.0 !Miller 1992'
9.00E+13
0
15100
# 'ch3+m=ch+h2+m 6.90E+14 0.0 82469.0 !Markus 1992'
6.90E+14
0
82469
# 'ch3+m=ch2+h+m 1.90E+16 0.0 91411.0 !Markus 1992'
1.90E+16
0
91411
# 'ch3+oh(+m)=ch3oh(+m) 8.70E+13 0.1 0.0 !Fagerstrom 1993'
#
'low/ 8.84E+41 -7.4 626.0 /'
#
'troe / 0.025 1.0E-15 8000.0 3000.0/'
#
'h2o /10.0/ h2/2.0/ co2/3.0/ co/2.0/'
8.70E+13
0.1
0
# 'ch3oh(+m)=ch2(s)+h2o 2.837e10 1.0 89871. !Marinov 1998'
#
'low / 1.78e49 -8.81 99369./'
#
'troe /0.9 740. 980. 5100./'
#
'h2o/10.0/ h2/2.0/ co2/3.0/ co/2.0/'
2.84E+10
1
89871
# 'ch3oh(+m)=hcoh+h2(+m) 4.2e9 1.12 85604. !Marinov 1998'
#
'low / 5.02e47 -8.402 94823./'
#
'troe/ 0.9 615. 915. 4615./'
#
'h2o /10.0/ h2/2.0/ co2/3.0/ co/2.0/'
4.20E+09
1.12
85604
# 'ch3oh(+m)=ch2o+h2(+m) 2.03e9 1.0 91443. !Marinov 1998'
#
'low /9.784e47 -8.4 101761./'
#
'troe/ 0.9 825. 1125. 5700./'

'h2o/10./ h2/2.0/ co2/3.0/ co/2.0/'


2.03E+09
1
91443
# 'ch3oh+oh=ch2oh+h2o 2.61E+05 2.182 -1344.0 !Tsang 1987'
2.61E+05
2.182
-1344
# 'ch3oh+oh=ch3o+h2o 2.62E+06 2.056 916.0 !Tsang 1987'
2.62E+06
2.056
916
# 'ch3oh+o=ch2oh+oh 3.88E+05 2.5 3080.0 !Tsang 1987'
3.88E+05
2.5
3080
# 'ch3oh+h=ch2oh+h2 1.70E+07 2.1 4868.0 !Tsang 1987'
1.70E+07
2.1
4868
# 'ch3oh+h=ch3o+h2 4.24E+06 2.1 4868.0 !Tsang 1987'
4.24E+06
2.1
4868
# 'ch3oh+ho2=ch2oh+h2o2 9.64E+10 0.0 12578.0 !Tsang 1987'
9.64E+10
0
12578
# 'ch2o+h(+m)=ch3o(+m) 5.40E+11 0.454 2600.0 !GRI-Mech2.11'
#
'low/ 1.50E+30 -4.80 5560./'
#
'troe/ 0.758 94. 1555. 4200./'
#
'h2o/5.0/'
5.40E+11
0.454
2600
# 'ch2o+h(+m)=ch2oh(+m) 5.40E+11 0.454 3600.0 !GRI-Mech2.11'
#
'low / 9.10E+31 -4.82 6530./'
#
'troe/ 0.7187 103. 1291. 4160./'
#
'h2o/5.0/'
5.40E+11
0.454
3600
# 'ch3o+ch3=ch2o+ch4 1.20E+13 0.0 0.0 !Tsang 1986'
1.20E+13
0
0
# 'ch3o+h=ch2o+h2 2.00E+13 0.0 0.0 !Miller 1992'
2.00E+13
0
0
# 'ch2oh+h=ch2o+h2 2.00E+13 0.0 0.0 !Miller 1992'
2.00E+13
0
0
# 'ch3o+oh=ch2o+h2o 1.00E+13 0.0 0.0 !Miller 1992'
1.00E+13
0
0
# 'ch2oh+oh=ch2o+h2o 1.00E+13 0.0 0.0 !Miller 1992'
1.00E+13
0
0
# 'ch3o+o=ch2o+oh 1.00E+13 0.0 0.0 !Miller 1992'
1.00E+13
0
0
# 'ch2oh+o=ch2o+oh 1.00E+13 0.0 0.0 !Miller 1992'
1.00E+13
0
0
# 'ch3o+o2=ch2o+ho2 6.30E+10 0.0 2600.0 !Miller 1992'
6.30E+10
0
2600
# 'ch3o+co=ch3+co2 4.68E+02 3.16 5380.0 !Wantuck 1987'
468
3.16
5380
# 'ch2oh+o2=ch2o+ho2 1.57E+15 -1.0 0.0 !Baulch 1992'
1.57E+15
-1
0
# 'dup !Baulch 1992'
# ' ch2oh+o2=ch2o+ho2
7.23E+13 0.0 3577.0 !Baulch 1992'
7.23E+13
0
3577
# 'dup !Baulch 1992'
# ' hcoh+oh=hco+h2o
2.00E+13 0.0
0.0 !Marinov 1996'
2.00E+13
0
0
# 'hcoh+h=ch2o+h 2.00E+14 0.0 0.0 !Marinov 1996'

2.00E+14
0
# 'hcoh+o=co2+h+h 5.00E+13 0.0 0.0 !Marinov 1996'
5.00E+13
0
# 'hcoh+o=co+oh+h 3.00E+13 0.0 0.0 !Marinov 1996'
3.00E+13
0
# 'hcoh+o2=co+oh+oh 1.00E+13 0.0 0.0 !Marinov 1998'
1.00E+13
0
# 'hcoh+o2=co2+h2o 1.00E+13 0.0 0.0 !Marinov 1998'
1.00E+13
0
# 'hcoh=ch2o 2.10E+19 -3.07 31700.0 !Marinov 1998'
2.10E+19
-3.07
# 'ch2+h=ch+h2 1.00E+18 -1.56 0.0 !Miller 1992'
1.00E+18
-1.56
# 'ch2+oh=ch+h2o 1.13E+07 2.0 3000.0 !Miller 1992'
1.13E+07
2
# 'ch2+oh=ch2o+h 2.50E+13 0.0 0.0 !Miller 1992'
2.50E+13
0
# 'ch2+co2=ch2o+co 1.10E+11 0.0 1000.0 !Miller 1992'
1.10E+11
0
# 'ch2+o=co+h+h 5.00E+13 0.0 0.0 !Miller 1992'
5.00E+13
0
# 'ch2+o=co+h2 3.00E+13 0.0 0.0 !Miller 1992'
3.00E+13
0
# 'ch2+o2=ch2o+o 3.29E+21 -3.3 2868.0 !Marinov 1996'
3.29E+21
-3.3
# 'ch2+o2=co2+h+h 3.29E+21 -3.3 2868.0 !Marinov 1996'
3.29E+21
-3.3
# 'ch2+o2=co2+h2 1.01E+21 -3.3 1508.0 !Marinov 1996'
1.01E+21
-3.3
# 'ch2+o2=co+h2o 7.28E+19 -2.54 1809.0 !Marinov 1996'
7.28E+19
-2.54
# 'ch2+o2=hco+oh 1.29E+20 -3.3 284.0 !Marinov 1996'
1.29E+20
-3.3
# 'ch2+ch3=c2h4+h 4.00E+13 0.0 0.0 !Miller 1992'
4.00E+13
0
# 'ch2+ch2=c2h2+h+h 4.00E+13 0.0 0.0 !Miller 1992'
4.00E+13
0
# 'ch2+hcco=c2h3+co 3.00E+13 0.0 0.0 !Miller 1992'
3.00E+13
0
# 'ch2+c2h2=h2ccch+h 1.20E+13 0.0 6600.0 !Miller 1992'
1.20E+13
0
# 'ch2(s)+m=ch2+m 1.00E+13 0.0 0.0 !Miller 1992'
#
'h /12.0/ c2h2 /4.0/ h2o/3.0/'
1.00E+13
0
# 'ch2(s)+ch4=ch3+ch3 4.00E+13 0.0 0.0 !Miller 1992'
4.00E+13
0
# 'ch2(s)+c2h6=ch3+c2h5 1.20E+14 0.0 0.0 !Miller 1992'
1.20E+14
0
# 'ch2(s)+o2=co+oh+h 7.00E+13 0.0 0.0 !Miller 1992'
7.00E+13
0
# 'ch2(s)+h2=ch3+h 7.00E+13 0.0 0.0 !Miller 1992'

0
0
0
0
0
31700
0
3000
0
1000
0
0
2868
2868
1508
1809
284
0
0
0
6600

0
0
0
0

7.00E+13
0
0
# 'ch2(s)+c2h2=h2ccch+h 1.50E+14 0.0 0.0 !Canosa-Mas85'
1.50E+14
0
0
# 'ch2(s)+c2h4=ac3h5+h 1.30E+14 0.0 0.0 !Canosa-Mas85'
1.30E+14
0
0
# 'ch2(s)+o=co+h+h 3.00E+13 0.0 0.0 !Miller 1992'
3.00E+13
0
0
# 'ch2(s)+oh=ch2o+h 3.00E+13 0.0 0.0 !Miller 1992'
3.00E+13
0
0
# 'ch2(s)+h=ch+h2 3.00E+13 0.0 0.0 !Miller 1992'
3.00E+13
0
0
# 'ch2(s)+co2=ch2o+co 3.00E+12 0.0 0.0 !Miller 1992'
3.00E+12
0
0
# 'ch2(s)+ch3=c2h4+h 2.00E+13 0.0 0.0 !Miller 1992'
2.00E+13
0
0
# 'ch2(s)+ch2co=c2h4+co 1.60E+14 0.0 0.0 !Miller 1992'
1.60E+14
0
0
# 'ch+o2=hco+o 3.30E+13 0.0 0.0 !Miller 1992'
3.30E+13
0
0
# 'ch+o=co+h 5.70E+13 0.0 0.0 !Miller 1992'
5.70E+13
0
0
# 'ch+oh=hco+h 3.00E+13 0.0 0.0 !Miller 1992'
3.00E+13
0
0
# 'ch+co2=hco+co 3.40E+12 0.0 690.0 !Miller 1992'
3.40E+12
0
690
# 'ch+h2o=ch2o+h 1.17E+15 -0.75 0.0 !Miller 1992'
1.17E+15
-0.75
0
# 'ch+ch2o=ch2co+h 9.46E+13 0.0 -515.0 !Miller 1992'
9.46E+13
0
-515
# 'ch+c2h2=c3h2+h 1.00E+14 0.0 0.0 !Miller 1992'
1.00E+14
0
0
# 'ch+ch2=c2h2+h 4.00E+13 0.0 0.0 !Miller 1992'
4.00E+13
0
0
# 'ch+ch3=c2h3+h 3.00E+13 0.0 0.0 !Miller 1992'
3.00E+13
0
0
# 'ch+ch4=c2h4+h 6.00E+13 0.0 0.0 !Miller 1992'
6.00E+13
0
0
# 'ch2o+oh=hco+h2o 3.43E+09 1.18 -447.0 !Tsang 1986'
3.43E+09
1.18
-447
# 'ch2o+h=hco+h2 2.19E+08 1.77 3000.0 !Miller 1992'
2.19E+08
1.77
3000
# 'ch2o+m=hco+h+m 3.31E+16 0.0 81000.0 !Miller 1992'
3.31E+16
0
81000
# 'ch2o+o=hco+oh 1.80E+13 0.0 3080.0 !Miller 1992'
1.80E+13
0
3080
# 'hco+o2=ho2+co 7.58E+12 0.0 410.0 !Timonen 1988'
7.58E+12
0
410
# 'hco+m=h+co+m 1.86E+17 -1.0 17000.0 !Timonen 1987'
#
'h2o/5.0/ h2/1.87/ co2/3.0/ co/1.87/ ch4/2.81/'
1.86E+17
-1
17000
# 'hco+oh=h2o+co 1.00E+14 0.0 0.0 !Miller 1992'

1.00E+14
0
0
# 'hco+h=co+h2 1.19E+13 0.25 0.0 !Miller 1992'
1.19E+13
0.25
0
# 'hco+o=co+oh 3.00E+13 0.0 0.0 !Miller 1992'
3.00E+13
0
0
# 'hco+o=co2+h 3.00E+13 0.0 0.0 !Miller 1992'
3.00E+13
0
0
# 'co+oh=co2+h 9.42E+03 2.25 -2351.0 !Marinov 1996'
9420
2.25
-2351
# 'co+o+m=co2+m 6.17E+14 0.0 3000.0 !Miller 1992'
6.17E+14
0
3000
# 'co+o2=co2+o 2.53E+12 0.0 47688.0 !Miller 1992'
2.53E+12
0
47688
# 'co+ho2=co2+oh 5.80E+13 0.0 22934.0 !Miller 1992'
5.80E+13
0
22934
# 'c2h6+ch3=c2h5+ch4 5.50E-01 4.0 8300.0 !Miller 1992'
5.50E-01
4
8300
# 'c2h6+h=c2h5+h2 5.40E+02 3.5 5210.0 !Miller 1992'
540
3.5
5210
# 'c2h6+o=c2h5+oh 3.00E+07 2.0 5115.0 !Miller 1992'
3.00E+07
2
5115
# 'c2h6+oh=c2h5+h2o 7.23E+06 2.0 864.0 !Baulch 1992'
7.23E+06
2
864
# 'c2h5+h=c2h4+h2 1.25E+14 0.0 8000.0 !Marinov 1995'
1.25E+14
0
8000
# 'c2h5+h=ch3+ch3 3.00E+13 0.0 0.0 !Warnatz 1984'
3.00E+13
0
0
# 'c2h5+h=c2h6 3.00E+13 0.0 0.0 !Marinov 1998'
3.00E+13
0
0
# 'c2h5+oh=c2h4+h2o 4.00E+13 0.0 0.0 !Marinov 1995'
4.00E+13
0
0
# 'c2h5+o=ch3+ch2o 1.00E+14 0.0 0.0 !Herron 1988'
1.00E+14
0
0
# 'c2h5+ho2=c2h6+o2 3.00E+12 0.0 0.0 !Marinov 1998'
3.00E+12
0
0
# 'c2h5+ho2=ch3ch2o+oh 3.00E+13 0.0 0.0 !Tsang 1986'
3.00E+13
0
0
# 'c2h5+o2=c2h4+ho2 2.89E+28 -5.4 7585.0 !This Study'
2.89E+28
-5.4
7585
# 'c2h5+o2=c2h5o2 2.22E+52 -13.25 9756.0 !This Study'
2.22E+52
-13.25
9756
# 'c2h5+o2=ch3hco+oh 4.90E+11 -0.48 8357.0 !This Study'
4.90E+11
-0.48
8357
# 'c2h5+o2=ch2ch2ooh 5.18E+42 -10.72 8576.0 !This Study'
5.18E+42
-10.72
8576
# 'c2h5o2=ch2ch2ooh 2.96E+55 -14.24 37892.0 !This Study'
2.96E+55
-14.24
37892
# 'c2h5o2=c2h4+ho2 7.37E+54 -13.55 41070.0 !This Study'
7.37E+54
-13.55
41070
# 'c2h5o2+ho2=c2h5ooh+o2 2.29E+11 0.0 -1550.0 !This Study'
2.29E+11
0
-1550

# 'c2h5ooh=ch3ch2o+oh 6.00E+14 0.0 42300.0 !This Study'


6.00E+14
0
42300
# 'ch2ch2ooh=c2h4+ho2 6.87E+45 -11.09 23227.0 !This Study'
6.87E+45
-11.09
23227
# 'ch2ch2ooh+o2=hooc2h4o2 1.00E+12 0.0 -1100.0 !This Study'
1.00E+12
0
-1100
# 'hooc2h4o2=cqc*o+oh 6.00E+10 0.0 24500.0 !This Study'
6.00E+10
0
24500
# 'cqc*o=ch2o+hco+oh 6.00E+14 0.0 42300.0 !This Study'
6.00E+14
0
42300
# 'c2h4+oh=c2h4oh 1.29E+12 0.0 -817.0 !Atkinson 1986'
1.29E+12
0
-817
# 'c2h4oh+o2=hoc2h4o2 1.00E+12 0.0 -1100.0 !This Study'
1.00E+12
0
-1100
# 'hoc2h4o2=ch2o+ch2o+oh 6.00E+10 0.0 24500.0 !This Study'
6.00E+10
0
24500
# 'c2h4+oh=c2h3+h2o 2.02E+13 0.0 5936.0 !Miller 1992'
2.02E+13
0
5936
# 'c2h4+o=ch3+hco 1.02E+07 1.88 179.0 !Baulch 1994'
1.02E+07
1.88
179
# 'c2h4+o=ch2hco+h 3.39E+06 1.88 179.0 !Baulch 1994'
3.39E+06
1.88
179
# 'c2h4+ch3=c2h3+ch4 6.62E+00 3.7 9500.0 !Marinov 1995'
6.62E+00
3.7
9500
# 'c2h4+h=c2h3+h2 3.36E-07 6.0 1692.0 !Dagaut 1990'
3.36E-07
6
1692
# 'c2h4+h(+m)=c2h5(+m) 1.08E+12 0.454 1822.0 !Feng 1993'
#
'low / 1.112E+34 -5.0 4448.0 /'
#
'troe / 1.0 1.0E-15 95.0 200.0 /'
#
'h2o /5.0/ h2/2.0/ co2/3.0/ co/2.0/'
1.08E+12
0.454
1822
# 'c2h4(+m)=c2h2+h2(+m) 1.80E+13 0.0 76000. !Marinov 1997'
#
'low / 1.50E+15 0.0 55443. /'
1.80E+13
0
76000
# 'c2h3+h(+m)=c2h4(+m) 6.10E+12 0.27 280. !GRI-Mech2.11'
#
'low/9.80E+29 -3.86 3320./'
#
'troe/ 0.782 208. 2663. 6095./'
#
'h2o/5.0/'
6.10E+12
0.27
280
# 'c2h3+h=c2h2+h2 4.00E+13 0.0 0.0 !Miller 1992'
4.00E+13
0
0
# 'c2h3+o=ch2co+h 3.00E+13 0.0 0.0 !Miller 1992'
3.00E+13
0
0
# 'c2h3+o2=ch2o+hco 1.70E+29 -5.312 6500.0 !Marinov 1997'
1.70E+29
-5.312
6500
# 'c2h3+o2=ch2hco+o 5.50E+14 -0.611 5260.0 !Marinov 1997'
5.50E+14
-0.611
5260
# 'c2h3+o2=c2h2+ho2 2.12E-06 6.0 9484.0 !cfm/nmm 1996'
2.12E-06
6
9484
# 'c2h3+oh=c2h2+h2o 2.00E+13 0.0 0.0 !Miller 1992'
2.00E+13
0
0

# 'c2h3+c2h=c2h2+c2h2 3.00E+13 0.0 0.0 !Miller 1992'


3.00E+13
0
0
# 'c2h3+ch=ch2+c2h2 5.00E+13 0.0 0.0 !Miller 1992'
5.00E+13
0
0
# 'c2h3+ch3=ac3h5+h 4.73E+02 3.7 5677.0 !Marinov 1996'
473
3.7
5677
# 'c2h3+ch3=c3h6 4.46E+56 -13.0 13865.0 !Marinov 1996'
4.46E+56
-13
13865
# 'c2h3+ch3=c2h2+ch4 2.00E+13 0.0 0.0 !Fahr 1991'
2.00E+13
0
0
# 'c2h2+oh=c2h+h2o 3.37E+07 2.0 14000.0 !Miller 1992'
3.37E+07
2
14000
# 'c2h2+oh=hccoh+h 5.04E+05 2.3 13500.0 !Miller 1992'
5.04E+05
2.3
13500
# 'c2h2+oh=ch2co+h 2.18E-04 4.5 -1000.0 !Miller 1992'
2.18E-04
4.5
-1000
# 'c2h2+oh=c2h2oh 1.02E+12 0.0 463.0 !This Study'
1.02E+12
0
463
# 'c2h2+oh=ch3+co 4.83E-04 4.0 -2000.0 !Miller 1992'
4.83E-04
4
-2000
# 'hccoh+h=ch2co+h 1.00E+13 0.0 0.0 !Miller 1992'
1.00E+13
0
0
# 'c2h2oh+o2=chocho+oh 2.00E+12 0.0 0.0 !This Study'
2.00E+12
0
0
# 'c2h2oh+h=ch2hco+h 1.00E+14 0.0 0.0 !This Study'
1.00E+14
0
0
# 'c2h2+o=ch2+co 6.12E+06 2.0 1900.0 !Marinov 1996'
6.12E+06
2
1900
# 'c2h2+o=hcco+h 1.43E+07 2.0 1900.0 !Marinov 1996'
1.43E+07
2
1900
# 'c2h2+o=c2h+oh 3.16E+15 -0.6 15000.0 !Miller 1992'
3.16E+15
-0.6
15000
# 'c2h2+ch3=c2h+ch4 1.81E+11 0.0 17289.0 !Tsang 1986'
1.81E+11
0
17289
# 'c2h2+o2=hcco+oh 4.00e+07 1.5 30100.0 !Marinov 1997'
4.00E+07
1.5
30100
# 'c2h2+m=c2h+h+m 4.20E+16 0.0 107000.0 !Miller 1992'
4.20E+16
0
107000
# 'c2h2+h (+m)=c2h3(+m) 3.11E+11 0.58 2589.0 !Knyazev 1995'
#
'low / 2.25E+40 -7.269 6577.0 /'
#
'troe /1.0 1.0E-15 675.0 1.0E+15 /'
#
'h2o /5.0/ h2/2.0/ co2/3.0/ co/2.0/'
3.11E+11
0.58
2589
# 'c2h5oh(+m)=ch3+ch2oh(+m) 5.71E+23 -1.68 94405.0 !Marinov 1998'
#
'low /3.11E+85 -18.84 113095./'
#
'troe/0.5 550. 825. 6100./'
#
'h2o/5./ h2/2.0/ co2/3.0/ co/2.0/'
5.71E+23
-1.68
94405
# 'c2h5oh(+m)=c2h5+oh(+m) 2.40E+23 -1.62 99535.0 !Marinov 1998'
#
'low /5.11E+85 -18.80 118768./'
#
'troe/0.5 650. 800. 1.e15/'

'h2o/5./ h2/2.0/ co2/3.0/ co/2.0/'


2.40E+23
-1.62
99535
# 'c2h5oh(+m)=c2h4+h2o(+m) 1.57E+13 0.14 65684.0 !Marinov 1998'
#
'low/6.68E+82 -18.7 85500./'
#
'troe/6.7 1.e-15 460. 1.e15/'
#
'h2o/5./'
1.57E+13
0.14
65684
# 'c2h5oh(+m)=ch3hco+h2(+m) 1.67E+9 1.0 90820.0 !Marinov 1998'
#
'low /2.04e82 -17.94 111674./'
#
'troe/0.9 900. 1120. 7500./'
#
'h2o/5./'
1.67E+09
1
90820
# 'c2h5oh+oh=c2h4oh+h2o 1.74E+11 0.27 600.0 !Marinov 1998'
1.74E+11
0.27
600
# 'c2h5oh+oh=ch3choh+h2o 4.64E+11 0.15 0.0 !Marinov 1998'
4.64E+11
0.15
0
# 'c2h5oh+oh=ch3ch2o+h2o 7.46E+11 0.30 1634.0 !Marinov 1998'
7.46E+11
0.3
1634
# 'c2h5oh+h=c2h4oh+h2 1.23E+7 1.8 5098.0 !Marinov 1998'
1.23E+07
1.8
5098
# 'c2h5oh+h=ch3choh+h2 2.58E+7 1.65 2827.0 !Marinov 1998'
2.58E+07
1.65
2827
# 'c2h5oh+h=ch3ch2o+h2 1.50E+7 1.60 3038.0 !Marinov 1998'
1.50E+07
1.6
3038
# 'c2h5oh+o=c2h4oh+oh 9.41E+7 1.70 5459.0 !Marinov 1998'
9.41E+07
1.7
5459
# 'c2h5oh+o=ch3choh+oh 1.88E+7 1.85 1824.0 !Marinov 1998'
1.88E+07
1.85
1824
# 'c2h5oh+o=ch3ch2o+oh 1.58E+7 2.00 4448.0 !Marinov 1998'
1.58E+07
2
4448
# 'c2h5oh+ch3=c2h4oh+ch4 1.33E+2 3.18 9362.0 !Marinov 1998'
133
3.18
9362
# 'c2h5oh+ch3=ch3choh+ch4 4.44E+2 2.90 7690.0 !Marinov 1998'
444
2.9
7690
# 'c2h5oh+ch3=ch3ch2o+ch4 1.34E+2 2.92 7452.0 !Marinov 1998'
134
2.92
7452
# 'c2h5oh+ho2=ch3choh+h2o2 7.20E+3 2.55 10750.0 !Marinov 1998'
7200
2.55
10750
# 'c2h5oh+ho2=c2h4oh+h2o2 1.00E+4 2.55 15750.0 !Marinov 1998'
1.00E+04
2.55
15750
# 'c2h5oh+ho2=ch3ch2o+h2o2 2.50E+12 0.0 24000.0 !Marinov 1998'
2.50E+12
0
24000
# 'ch3ch2o+m=ch3hco+h+m 1.16E+35 -5.89 25274.0 !Marinov 1998'
1.16E+35
-5.89
25274
# 'ch3ch2o+m=ch3+ch2o+m 1.35E+38 -6.96 23800.0 !Marinov 1998'
1.35E+38
-6.96
23800
# 'ch3ch2o+o2=ch3hco+ho2 4.00E+10 0.0 1100.0 !Hartmann 1990'
4.00E+10
0
1100
# 'ch3ch2o+co=c2h5+co2 4.68E+2 3.16 5380.0 !Marinov 1998'
468
3.16
5380
# 'ch3ch2o+h=ch3+ch2oh 1.00E+13 0.0 0.0 !Marinov 1998'

1.00E+13
0
0
# 'ch3ch2o+h=ch3hco+h2 1.00E+13 0.0 0.0 !Marinov 1998'
1.00E+13
0
0
# 'ch3ch2o+oh=ch3hco+h2o 1.00E+13 0.0 0.0 !Marinov 1998'
1.00E+13
0
0
# 'ch3choh+o2=ch3hco+ho2 4.82E+14 0.0 5017.0 !Marinov 1998'
4.82E+14
0
5017
# 'dup !Marinov 1998'
# ' ch3choh+o2=ch3hco+ho2 8.43E+15 -1.2
0.0 !Marinov 1998'
8.43E+15
-1.2
0
# 'dup !Marinov 1998'
# ' ch3choh+ch3=ic3h7+oh 2.00E+13 0.0
0.0 !Marinov 1998'
2.00E+13
0
0
# 'ch3choh+o=ch3hco+oh 1.00E+14 0.0 0.0 !Marinov 1998'
1.00E+14
0
0
# 'ch3choh+h=ch3hco+h2 1.00E+13 0.0 0.0 !Marinov 1998'
1.00E+13
0
0
# 'ch3choh+h=ch3+ch2oh 1.00E+13 0.0 0.0 !Marinov 1998'
1.00E+13
0
0
# 'ch3choh+ho2=ch3hco+oh+oh 4.00E+13 0.0 0.0 !Marinov 1998'
4.00E+13
0
0
# 'ch3choh+oh=ch3hco+h2o 5.00E+12 0.0 0.0 !Marinov 1998'
5.00E+12
0
0
# 'ch3choh+m=ch3hco+h+m 1.00E+14 0.0 25000.0 !Marinov 1998'
1.00E+14
0
25000
# 'ch3hco+oh=ch3co+h2o 9.24E+6 1.5 -962.0 !Taylor 1996'
9.24E+06
1.5
-962
# 'ch3hco+oh=ch2hco+h2o 1.72E+5 2.4 815.0 !Taylor 1996'
1.72E+05
2.4
815
# 'ch3hco+oh=ch3+hcooh 3.00E+15 -1.076 0.0 !Marinov 1998'
3.00E+15
-1.076
0
# 'ch3hco+o=ch3co+oh 1.77E+18 -1.9 2975.0 !Marinov 1998'
1.77E+18
-1.9
2975
# 'ch3hco+o=ch2hco+oh 3.72E+13 -0.2 3556.0 !Marinov 1998'
3.72E+13
-0.2
3556
# 'ch3hco+h=ch3co+h2 4.66E+13 -0.35 2988.0 !Marinov 1998'
4.66E+13
-0.35
2988
# 'ch3hco+h=ch2hco+h2 1.85E+12 0.40 5359.0 !Marinov 1998'
1.85E+12
0.4
5359
# 'ch3hco+ch3=ch3co+ch4 3.90E-7 5.8 2200.0 !Marinov 1998'
3.90E-07
5.8
2200
# 'ch3hco+ch3=ch2hco+ch4 2.45E+1 3.15 5727.0 !Marinov 1998'
2.45E+01
3.15
5727
# 'ch3hco+ho2=ch3co+h2o2 2.40E+19 -2.2 14030.0 !Marinov 1998'
2.40E+19
-2.2
14030
# 'ch3hco+ho2=ch2hco+h2o2 2.32E+11 0.40 14864.0 !Marinov 1998'
2.32E+11
0.4
14864
# 'hcooh+m=co+h2o+m 2.09E+14 0.0 40400.0 !Saito 1984'
2.09E+14
0
40400
# 'hcooh+m=co2+h2+m 1.35E+15 0.0 60600.0 !Saito 1984'
1.35E+15
0
60600

# 'hcooh+oh=co2+h2o+h 2.62E+6 2.056 916.0 !Marinov 1998'


2.62E+06
2.056
916
# 'hcooh+oh=co+h2o+oh 1.85E+7 1.5 -962.0 !Marinov 1998'
1.85E+07
1.5
-962
# 'hcooh+h=co2+h2+h 4.24E+6 2.1 4868.0 !Marinov 1998'
4.24E+06
2.1
4868
# 'hcooh+h=co+h2+oh 6.06E+13 -0.35 2988.0 !Marinov 1998'
6.06E+13
-0.35
2988
# 'hcooh+ch3=ch4+co+oh 3.90E-7 5.8 2200.0 !Marinov 1998'
3.90E-07
5.8
2200
# 'hcooh+ho2=co+h2o2+oh 2.40E+19 -2.2 14030.0 !Marinov 1998'
2.40E+19
-2.2
14030
# 'hcooh+o=co+oh+oh 1.77E+18 -1.9 2975.0 !Marinov 1998'
1.77E+18
-1.9
2975
# 'ch2hco+h=ch3+hco 5.00E+13 0.0 0.0 !Marinov 1998'
5.00E+13
0
0
# 'ch2hco+h=ch2co+h2 2.00E+13 0.0 0.0 !Marinov 1998'
2.00E+13
0
0
# 'ch2hco+o=ch2o+hco 1.00E+14 0.0 0.0 !Marinov 1996'
1.00E+14
0
0
# 'ch2hco+oh=ch2co+h2o 3.00E+13 0.0 0.0 !Marinov 1996'
3.00E+13
0
0
# 'ch2hco+o2=ch2o+co+oh 3.00E+10 0.0 0.0 !Baulch 1992'
3.00E+10
0
0
# 'ch2hco+ch3=c2h5+co+h 4.90E+14 -0.50 0.0 !Marinov 1998'
4.90E+14
-0.5
0
# 'ch2hco+ho2=ch2o+hco+oh 7.00E+12 0.0 0.0 !Marinov 1998'
7.00E+12
0
0
# 'ch2hco+ho2=ch3hco+o2 3.00E+12 0.0 0.0 !Marinov 1998'
3.00E+12
0
0
# 'ch2hco=ch3+co 1.17E+43 -9.83 43756.0 !Marinov 1998'
1.17E+43
-9.83
43756
# 'ch2hco=ch2co+h 1.81E+43 -9.61 45868.0 !Marinov 1998'
1.81E+43
-9.61
45868
# 'chocho(+m)=ch2o+co(+m) 4.27E+12 0.0 50600.0 !Marinov 1995'
#
'low / 8.91E+16 0.0 49200.0 /'
4.27E+12
0
50600
# 'chocho=co+co+h2 4.07E+42 -8.5 69278.0 !Marinov 1996'
4.07E+42
-8.5
69278
# 'chocho+oh=hco+co+h2o 1.00E+13 0.0 0.0 !Marinov 1995'
1.00E+13
0
0
# 'chocho+o=hco+co+oh 7.24E+12 0.0 1970.0 !Marinov 1995'
7.24E+12
0
1970
# 'chocho+h=ch2o+hco 1.00E+12 0.0 0.0 !Marinov 1995'
1.00E+12
0
0
# 'chocho+ho2=hco+co+h2o2 1.70E+12 0.0 10700.0 !Marinov 1995'
1.70E+12
0
10700
# 'chocho+ch3=hco+co+ch4 1.74E+12 0.0 8440.0 !Marinov 1995'
1.74E+12
0
8440
# 'chocho+o2=hco+co+ho2 1.00E+14 0.0 37000.0 !Marinov 1995'
1.00E+14
0
37000

# 'ch3co(+m)=ch3+co(+m) 3.00E+12 0.0 16722.0 !Warnatz 1984'


#
'low / 1.20E+15 0.0 12518.0 /'
3.00E+12
0
16722
# 'ch2co+o=co2+ch2 1.75E+12 0.0 1350.0 !Marinov 1995'
1.75E+12
0
1350
# 'ch2co+h=ch3+co 2.71E+4 2.75 714.0 !Marinov 1996'
2.71E+04
2.75
714
# 'ch2co+h=hcco+h2 2.00E+14 0.0 8000.0 !Marinov 1996'
2.00E+14
0
8000
# 'ch2co+o=hcco+oh 1.00E+13 0.0 8000.0 !Miller 1992'
1.00E+13
0
8000
# 'ch2co+oh=hcco+h2o 1.00E+13 0.0 2000.0 !Marinov 1996'
1.00E+13
0
2000
# 'ch2co+oh=ch2oh+co 3.73E+12 0.0 -1013.0 !Brown 1989'
3.73E+12
0
-1013
# 'ch2co(+m)=ch2+co(+m) 3.00E+14 0.0 70980.0 !Miller 1992'
#
'low / 3.60E+15 0.0 59270.0 /'
3.00E+14
0
70980
# 'c2h+h2=c2h2+h 4.09E+05 2.39 864.3 !Miller 1992'
4.09E+05
2.39
864.3
# 'c2h+o=ch+co 5.00E+13 0.0 0.0 !Miller 1992'
5.00E+13
0
0
# 'c2h+oh=hcco+h 2.00E+13 0. 0.0 !Miller 1992'
2.00E+13
0
0
# 'c2h+o2=co+co+h 9.04E+12 0.0 -457.0 !Opansky 1993'
9.04E+12
0
-457
# 'hcco+c2h2=h2ccch+co 1.00E+11 0.0 3000.0 !Miller 1992'
1.00E+11
0
3000
# 'hcco+h=ch2(s)+co 1.00E+14 0.0 0.0 !Miller 1992'
1.00E+14
0
0
# 'hcco+o=h+co+co 8.00E+13 0.0 0.0 !Peeters 1995'
8.00E+13
0
0
# 'hcco+o=ch+co2 2.95E+13 0.0 1113.0 !Peeters 1995'
2.95E+13
0
1113
# 'hcco+o2=hco+co+o 2.50E+8 1.0 0.0 !Marinov 1997'
2.50E+08
1
0
# 'hcco+o2=co2+hco 2.40E+11 0.0 -854.0 !Marinov 1997'
2.40E+11
0
-854
# 'hcco+ch=c2h2+co 5.00E+13 0.0 0.0 !Miller 1992'
5.00E+13
0
0
# 'hcco+hcco=c2h2+co+co 1.00E+13 0.0 0.0 !Miller 1992'
1.00E+13
0
0
# 'hcco+oh=c2o+h2o 3.00E+13 0.0 0.0 !Miller 1992'
3.00E+13
0
0
# 'c2o+h=ch+co 1.00E+13 0.0 0.0 !Miller 1992'
1.00E+13
0
0
# 'c2o+o=co+co 5.00E+13 0.0 0.0 !Miller 1992'
5.00E+13
0
0
# 'c2o+oh=co+co+h 2.00E+13 0.0 0.0 !Miller 1992'
2.00E+13
0
0
# 'c2o+o2=co+co+o 2.00E+13 0.0 0.0 !Miller 1992'

2.00E+13
0
0
# 'c3h8(+m)=c2h5+ch3(+m) 7.90E+22 -1.8 88629.0 !Tsang 1988'
#
'low / 7.237E+27 -2.88 67448.0 /'
#
'troe /1.0 1.0E-15 1500.0 1.0E+15/'
#
'h2o/5.0/ co2/3.0/ co/2.0/ h2/2.0/'
7.90E+22
-1.8
88629
# 'ic3h7+ho2=c3h8+o2 3.00E+12 0.0 0.0 !Marinov 1998'
3.00E+12
0
0
# 'nc3h7+ho2=c3h8+o2 3.00E+12 0.0 0.0 !Marinov 1998'
3.00E+12
0
0
# 'c3h8+ho2=nc3h7+h2o2 4.76E+04 2.55 16492.0 !Tsang 1988'
4.76E+04
2.55
16492
# 'c3h8+ho2=ic3h7+h2o2 9.64E+03 2.6 13909.0 !Tsang 1988'
9640
2.6
13909
# 'c3h8+oh=nc3h7+h2o 3.16E+07 1.8 934.0 !Cohen 1991'
3.16E+07
1.8
934
# 'c3h8+oh=ic3h7+h2o 7.08E+06 1.9 -159.0 !Cohen 1991'
7.08E+06
1.9
-159
# 'c3h8+o=nc3h7+oh 3.73E+06 2.4 5504.0 !Cohen 1986'
3.73E+06
2.4
5504
# 'c3h8+o=ic3h7+oh 5.48E+05 2.5 3139.0 !Cohen 1986'
5.48E+05
2.5
3139
# 'c3h8+h=ic3h7+h2 1.30E+06 2.4 4471.0 !Tsang 1988'
1.30E+06
2.4
4471
# 'c3h8+h=nc3h7+h2 1.33E+06 2.54 6756.0 !Tsang 1988'
1.33E+06
2.54
6756
# 'c3h8+ch3=nc3h7+ch4 9.04E-01 3.65 7153.0 !Tsang 1988'
9.04E-01
3.65
7153
# 'c3h8+ch3=ic3h7+ch4 1.51E+00 3.46 5480.0 !Tsang 1988'
1.51E+00
3.46
5480
# 'c3h8+c2h3=ic3h7+c2h4 1.00E+03 3.1 8830.0 !Tsang 1988'
1000
3.1
8830
# 'c3h8+c2h3=nc3h7+c2h4 6.00E+02 3.3 10500.0 !Tsang 1988'
600
3.3
10500
# 'c3h8+c2h5=ic3h7+c2h6 1.51E+00 3.46 7470.0 !Tsang 1988'
1.51E+00
3.46
7470
# 'c3h8+c2h5=nc3h7+c2h6 9.03E-01 3.65 9140.0 !Tsang 1988'
9.03E-01
3.65
9140
# 'c3h8+ac3h5=c3h6+nc3h7 2.35E+02 3.3 19842.0 !Tsang 1988'
235
3.3
19842
# 'c3h8+ac3h5=c3h6+ic3h7 7.83E+01 3.3 18169.0 !Tsang 1988'
7.83E+01
3.3
18169
# 'nc3h7(+m)=c2h4+ch3(+m) 1.23E+13 -0.1 30202.0 !Bencsura 1992'
#
'low / 5.485E+49 -10.0 35766.0 /'
#
'troe / 2.17 1.0E-15 251.0 1185.0 /'
#
'h2o /5.0/ h2/2.0/ co2/3.0/ co/2.0/'
1.23E+13
-0.1
30202
# 'c3h6+h(+m)=ic3h7(+m) 5.70E+09 1.16 874.0 !Seakins 1993'
#
'low / 1.64E+54 -11.1 9364.0 /'
#
'troe / 1.0 1.0E-15 260.0 3000.0 /'
#
'h2o /5.0/ h2/2.0/ co2/3.0/ co/2.0/'

5.70E+09
1.16
874
# 'ic3h7+o2=c2coo 1.75E+58 -14.89 12608.0 !This Study'
1.75E+58
-14.89
12608
# 'ic3h7+o2=c2jcq 7.06E+27 -5.91 4802.0 !This Study'
7.06E+27
-5.91
4802
# 'ic3h7+o2=c3h6+ho2 1.88E+20 -2.69 7109.0 !This Study'
1.88E+20
-2.69
7109
# 'ic3h7+o2=ccyc2o+oh 4.54E+4 1.55 5000.0 !This Study'
4.54E+04
1.55
5000
# 'c2coo=c2jcq 6.18E+61 -16.03 43008.0 !This Study'
6.18E+61
-16.03
43008
# 'c2coo=c3h6+ho2 1.51E+72 -18.69 51699.0 !This Study'
1.51E+72
-18.69
51699
# 'c2coo=ccyc2o+oh 1.95E+57 -14.99 49595.0 !This Study'
1.95E+57
-14.99
49595
# 'c2coo+ho2=c2cq+o2 2.29E+11 0.0 -1550.0 !This Study'
2.29E+11
0
-1550
# 'c2cq=c2coj+oh 6.00E+14 0.0 42300.0 !This Study'
6.00E+14
0
42300
# 'c2coj=acetone+h 2.00E+14 0.0 21500.0 !Batt 1979'
2.00E+14
0
21500
# 'c2coj=ch3+ch3hco 4.00E+14 0.0 17200.0 !Batt 1979'
4.00E+14
0
17200
# 'c2coj+o2=acetone+ho2 4.90E+10 0.0 1590.0 !Heicklen 1988'
4.90E+10
0
1590
# 'c2coj+co=ic3h7+co2 4.68E+2 3.16 5380.0 !This Study'
468
3.16
5380
# 'c2jcq=ch2hco+ch3+oh 8.19E+7 0.46 29230.0 !This Study'
8.19E+07
0.46
29230
# 'c2jcq+o2=ccqcoo 1.08E+31 -6.04 5019.0 !This Study'
1.08E+31
-6.04
5019
# 'c2jcq+o2=cc*ocq+oh 1.15E+27 -4.61 10312.0 !This Study'
1.15E+27
-4.61
10312
# 'c2jcq+o2=cjcqcq 6.98E+30 -6.14 11470.0 !This Study'
6.98E+30
-6.14
11470
# 'c2jcq+o2=c*ccq+ho2 1.41E+42 -9.22 20724.0 !This Study'
1.41E+42
-9.22
20724
# 'ccqcoo=cc*ocq+oh 2.46E+23 -3.95 24702.0 !This Study'
2.46E+23
-3.95
24702
# 'ccqcoo=cjcqcq 4.72E+25 -4.89 26209.0 !This Study'
4.72E+25
-4.89
26209
# 'cjcqcq=cc*ocq+oh 1.17E+24 -4.71 21921.0 !This Study'
1.17E+24
-4.71
21921
# 'cjcqcq=c*ccq+ho2 3.53E+20 -2.8 18874.0 !This Study'
3.53E+20
-2.8
18874
# 'cc*ocq=ch3co+ch2o+oh 6.00E+14 0.0 42300.0 !This Study'
6.00E+14
0
42300
# 'acetone+oh=ch2co+ch3+h2o 7.23E+6 2.0 864.0 !This Study'
7.23E+06
2
864
# 'acetone+o=ch2co+ch3+oh 3.00E+7 2.0 5115.0 !This Study'
3.00E+07
2
5115

# 'acetone+h=ch2co+ch3+h2 5.40E+2 3.5 5210.0 !This Study'


540
3.5
5210
# 'nc3h7+o2=cccoo 8.57E+46 -10.79 11555.0 !This Study'
8.57E+46
-10.79
11555
# 'nc3h7+o2=cccho+oh 2.04E+16 -1.29 18186.0 !This Study'
2.04E+16
-1.29
18186
# 'nc3h7+o2=ccjcq 1.45E+36 -7.61 13874.0 !This Study'
1.45E+36
-7.61
13874
# 'nc3h7+o2=c3h6+ho2 3.83E+26 -4.44 7724.0 !This Study'
3.83E+26
-4.44
7724
# 'nc3h7+o2=cjccq 3.47E+45 -10.05 19704.0 !This Study'
3.47E+45
-10.05
19704
# 'cccoo=c3h6+ho2 1.88E+61 -14.94 49716.0 !This Study'
1.88E+61
-14.94
49716
# 'cccoo=cjccq 4.18E+34 -7.33 31801.0 !This Study'
4.18E+34
-7.33
31801
# 'cccoo=ccjcq 1.61E+42 -9.75 35783.0 !This Study'
1.61E+42
-9.75
35783
# 'ccjcq=c3h6+ho2 2.19E+30 -6.11 18849.0 !This Study'
2.19E+30
-6.11
18849
# 'ccjcq=ccyc2o+oh 1.01E+20 -3.36 20038.0 !This Study'
1.01E+20
-3.36
20038
# 'cjccq=c3h6+ho2 1.22E+57 -13.84 43391.0 !This Study'
1.22E+57
-13.84
43391
# 'cjccq=cyccco+oh 2.23E+14 -1.26 18153.0 !This Study'
2.23E+14
-1.26
18153
# 'ccjcq+o2=ccoocq 1.00E+36 -7.67 6314.0 !This Study'
1.00E+36
-7.67
6314
# 'ccjcq+o2=cjcqcq 5.00E+34 -7.22 13951.0 !This Study'
5.00E+34
-7.22
13951
# 'ccjcq+o2=c*ccq+ho2 8.54E+43 -9.53 22551.0 !This Study'
8.54E+43
-9.53
22551
# 'ccjcq+o2=ccqc*o+oh 6.13E+28 -5.05 11272.0 !This Study'
6.13E+28
-5.05
11272
# 'ccqc*o=ch3hco+hco+oh 6.00E+14 0.0 42300.0 !This Study'
6.00E+14
0
42300
# 'cqcc*o=ch2hco+ch2o+oh 6.00E+14 0.0 42300.0 !This Study'
6.00E+14
0
42300
# 'ccoocq=cjcqcq 3.21E+37 -8.25 34660.0 !This Study'
3.21E+37
-8.25
34660
# 'ccoocq=ccqc*o+oh 1.21E+30 -5.85 28978.0 !This Study'
1.21E+30
-5.85
28978
# 'cjcqcq=ccqc*o+oh 1.41E+33 -7.14 28454.0 !This Study'
1.41E+33
-7.14
28454
# 'c*ccq=ch2chch2o+oh 6.00E+14 0.0 42300.0 !This Study'
6.00E+14
0
42300
# 'cjccq+o2=cooccq 6.92E+28 -5.32 4441.0 !This Study'
6.92E+28
-5.32
4441
# 'cjccq+o2=cqcc*o+oh 1.46E+29 -5.5 10127.0 !This Study'
1.46E+29
-5.5
10127
# 'cjccq+o2=cqcjcq 4.81E+32 -6.71 12303.0 !This Study'

4.81E+32
-6.71
12303
# 'cjccq+o2=c*ccq+ho2 1.76E+41 -8.76 20150.0 !This Study'
1.76E+41
-8.76
20150
# 'cooccq=cqcc*o+oh 1.81E+18 -2.68 20340.0 !This Study'
1.81E+18
-2.68
20340
# 'cooccq=cqcjcq 4.08E+30 -6.24 30612.0 !This Study'
4.08E+30
-6.24
30612
# 'cooccq=c*ccq+ho2 1.06E+38 -7.99 40074.0 !This Study'
1.06E+38
-7.99
40074
# 'cqcjcq=cqcc*o+oh 2.37E+30 -6.77 27650.0 !This Study'
2.37E+30
-6.77
27650
# 'cqcjcq=c*ccq+ho2 1.44E+24 -4.03 19130.0 !This Study'
1.44E+24
-4.03
19130
# 'cccoo+ho2=cccq+o2 2.29E+11 0.00 -1550.0 !This Study'
2.29E+11
0
-1550
# 'cccq=cccoj+oh 6.00E+14 0.0 42300.0 !This Study'
6.00E+14
0
42300
# 'cccoj+o2=cccho+ho2 1.95E+11 0.0 1980.0 !This Study'
1.95E+11
0
1980
# 'cccoj+co=nc3h7+co2 4.68E+2 3.16 5380.0 !This Study'
468
3.16
5380
# 'cccoj+m=c2h5+ch2o+m 1.35E+38 -6.96 23800.0 !This Study'
1.35E+38
-6.96
23800
# 'cccoj+m=cccho+h+m 1.16E+35 -5.89 25274.0 !This Study'
1.16E+35
-5.89
25274
# 'cccho+oh=c2h5+co+h2o 1.00E+10 1.0 0.0 !This Study'
1.00E+10
1
0
# 'cccho+o=c2h5+co+oh 7.24E+12 0.0 1970.0 !This Study'
7.24E+12
0
1970
# 'cccho+h=c2h5+co+h2 3.98E+13 0.0 4200.0 !This Study'
3.98E+13
0
4200
# 'ic3h7+h=c2h5+ch3 5.00E+13 0.0 0.0 !Tsang 1988'
5.00E+13
0
0
# 'nc3h7+h=c2h5+ch3 1.00E+14 0.0 0.0 !Tsang 1988'
1.00E+14
0
0
# 'c3h6=c2h2+ch4 2.50E+12 0.0 70000.0 !Hidaka 1992'
2.50E+12
0
70000
# 'c3h6=ac3h4+h2 3.00E+13 0.0 80000.0 !Hidaka 1992'
3.00E+13
0
80000
# 'pc3h5+h=c3h6 1.00E+14 0.0 0.0 !Marinov 1998'
1.00E+14
0
0
# 'sc3h5+h=c3h6 1.00E+14 0.0 0.0 !Marinov 1998'
1.00E+14
0
0
# 'c3h6+ho2=ac3h5+h2o2 9.64E+03 2.6 13910.0 !Tsang 1991'
9640
2.6
13910
# 'c3h6+oh=hoc3h6 2.92E+12 0.0 -1000.0 !Atkinson 1986'
2.92E+12
0
-1000
# 'hoc3h6+o2=hoc3h6o2 1.00E+12 0.0 -1100.0 !This Study'
1.00E+12
0
-1100
# 'hoc3h6o2=ch3hco+ch2o+oh 6.00E+10 0.0 26000.0 !This Study'
6.00E+10
0
26000

# 'hoc3h6o2+ho2=hoccqc+o2 2.29E+11 0.0 -1550.0 !This Study'


2.29E+11
0
-1550
# 'hoccqc=ch2oh+ch3hco+oh 6.00E+14 0.0 42300.0 !This Study'
6.00E+14
0
42300
# 'c3h6+oh=ac3h5+h2o 2.60E+06 2.0 -298.0 !Tsang 1991'
2.60E+06
2
-298
# 'c3h6+oh=sc3h5+h2o 1.11E+06 2.0 1451.0 !Tsang 1991'
1.11E+06
2
1451
# 'c3h6+oh=pc3h5+h2o 2.11E+06 2.0 2778.0 !Tsang 1991'
2.11E+06
2
2778
# 'c3h6+o=ch3co+ch3 5.00E+7 1.76 76.0 !This Study'
5.00E+07
1.76
76
# 'c3h6+o=c2h5+hco 1.58E+07 1.76 -1216.0 !Tsang 1991'
1.58E+07
1.76
-1216
# 'c3h6+o=ac3h5+oh 5.24E+11 0.7 5884.0 !Tsang 1991'
5.24E+11
0.7
5884
# 'c3h6+o=pc3h5+oh 1.20E+11 0.7 8959.0 !Tsang 1991'
1.20E+11
0.7
8959
# 'c3h6+o=sc3h5+oh 6.03E+10 0.7 7632.0 !Tsang 1991'
6.03E+10
0.7
7632
# 'c3h6+h=c2h4+ch3 4.00E+13 0.0 1302.0 !This Study'
4.00E+13
0
1302
# 'c3h6+h=ac3h5+h2 1.73E+05 2.5 2492.0 !Tsang 1991'
1.73E+05
2.5
2492
# 'c3h6+h=sc3h5+h2 4.09E+05 2.5 9794.0 !Tsang 1991'
4.09E+05
2.5
9794
# 'c3h6+h=pc3h5+h2 8.04E+05 2.5 12284.0 !Tsang 1991'
8.04E+05
2.5
12284
# 'c3h6+ch3=ac3h5+ch4 2.22E+00 3.5 5675.0 !Tsang 1991'
2.22E+00
3.5
5675
# 'c3h6+ch3=sc3h5+ch4 8.43E-01 3.5 11656.0 !Tsang 1991'
8.43E-01
3.5
11656
# 'c3h6+ch3=pc3h5+ch4 1.35E+00 3.5 12848.0 !Tsang 1991'
1.35E+00
3.5
12848
# 'c3h6+hco=ac3h5+ch2o 1.08E+07 1.9 17010.0 !Tsang 1991'
1.08E+07
1.9
17010
# 'c3h6+o2=ac3h5+ho2 1.0e14 0.0 40000.0 !This Study'
1.00E+14
0
40000
# 'ch3chco+oh=ch2chco+h2o 4.00E+06 2.0 0.0 !Marinov 1996'
4.00E+06
2
0
# 'ch3chco+o=ch2chco+oh 7.60E+08 1.5 8500.0 !Marinov 1996'
7.60E+08
1.5
8500
# 'ch3chco+h=ch2chco+h2 2.00E+05 2.5 2500.0 !Marinov 1996'
2.00E+05
2.5
2500
# 'ch3chco+h=c2h5+co 2.00E+13 0.0 2000.0 !Marinov 1996'
2.00E+13
0
2000
# 'ch3chco+o=ch3+hco+co 3.00E+07 2.0 0.0 !Marinov 1996'
3.00E+07
2
0
# 'ch2chcho+oh=hoc3h4o 2.92E+12 0.0 -1000.0 !This Study'
2.92E+12
0
-1000
# 'ch2chcho+oh=chchcho+h2o 1.01e13 0.0 5936.0 !This Study'

1.01E+13
0
5936
# 'chchcho+o2=c2h2+co+ho2 2.00e12 0.0 0.0 !This Study'
2.00E+12
0
0
# 'chchcho=c2h2+hco 1.00e14 0.0 33000.0 !This Study'
1.00E+14
0
33000
# 'hoc3h4o+o2=hoc3h4o3 1.00E+12 0.0 -1100.0 !This Study'
1.00E+12
0
-1100
# 'hoc3h4o3=ch2o+chocho+oh 6.00E+10 0.0 26000.0 !This Study'
6.00E+10
0
26000
# 'hoc3h4o3+ho2=hoccqcho+o2 2.29E+11 0.0 -1550.0 !This Study'
2.29E+11
0
-1550
# 'hoccqcho=ch2oh+chocho+oh 6.00E+14 0.0 42300.0 !This Study'
6.00E+14
0
42300
# 'ch2chcho+oh=ch2chco+h2o 9.24E+6 1.5 -962.0 !Marinov 1996'
9.24E+06
1.5
-962
# 'ch2chcho+o=ch2chco+oh 7.24E+12 0.0 1970.0 !Marinov 1996'
7.24E+12
0
1970
# 'ch2chcho+o=ch2hco+hco 5.01E+07 1.76 76.0 !Marinov 1996'
5.01E+07
1.76
76
# 'ch2chcho+h=ch2chco+h2 3.98E+13 0.0 4200.0 !Marinov 1996'
3.98E+13
0
4200
# 'ch2chcho+h=c2h4+hco 2.00E+13 0.0 1500.0 !Marinov 1996'
2.00E+13
0
1500
# 'ch2chcho+o2=ch2chco+ho2 3.00E+13 0.0 36000.0 !Marinov 1996'
3.00E+13
0
36000
# 'ch2chco=c2h3+co 1.00E+14 0.0 34000.0 !Marinov 1996'
1.00E+14
0
34000
# 'ch2chco+o=c2h3+co2 1.00E+14 0.0 0.0 !Marinov 1996'
1.00E+14
0
0
# 'ac3h5+o2=ac3h5o2 6.98E+22 -4.38 -5119.0 !Bozzelli 1993'
6.98E+22
-4.38
-5119
# 'ac3h5+o2=ch2chcho+oh 1.82E+13 -0.41 22859.0 !Bozzelli 1993'
1.82E+13
-0.41
22859
# 'ac3h5+o2=ac3h4+ho2 4.99E+15 -1.4 22428.0 !Bozzelli 1993'
4.99E+15
-1.4
22428
# 'ac3h5+o2=ch2hco+ch2o 1.06E+10 0.34 12838.0 !Bozzelli 1993'
1.06E+10
0.34
12838
# 'ac3h5+o2=c2h2+ch2o+oh 2.78E+25 -4.8 15468.0 !Bozzelli 1993'
2.78E+25
-4.8
15468
# 'ac3h5o2+ac3h5=ch2chch2o+ch2chch2o 2.40E+13 0.0 0.0 !This Study'
2.40E+13
0
0
# 'ac3h5o2+ho2=ac3h5o2h+o2 2.29E+11 0.0 -1550.0 !This Study'
2.29E+11
0
-1550
# 'ac3h5o2h=ch2chch2o+oh 6.00E+14 0.0 42300.0 !This Study'
6.00E+14
0
42300
# 'ac3h5+ho2=ch2chch2o+oh 1.00E+13 0.0 0.0 !Tsang 1991'
1.00E+13
0
0
# 'ch2chch2o+o2=ch2chcho+ho2 4.00E+10 0.0 1100.0 !This Study'
4.00E+10
0
1100
# 'ch2chch2o+co=ac3h5+co2 4.68E+2 3.16 5380.0 !This Study'
468
3.16
5380

# 'ch2chcho+h(+m)=ch2chch2o(+m) 5.40E+11 0.454 2600. !This Study'


#
'low/ 1.50E+30 -4.8 5560./'
#
'troe/0.78 94. 1555. 4200./'
#
'h2o/5./'
5.40E+11
0.454
2600
# 'ac3h5+oh=ac3h4+h2o 1.00E+13 0.0 0.0 !Tsang 1991'
1.00E+13
0
0
# 'ac3h5+h=ac3h4+h2 5.00E+13 0.0 0.0 !Marinov 1996'
5.00E+13
0
0
# 'ac3h5+h=c3h6 1.88E+26 -3.6 5468.0 !Marinov 1996'
1.88E+26
-3.6
5468
# 'ac3h5+o=ch2chcho+h 1.81E+14 0.0 0.0 !Slagle 1992'
1.81E+14
0
0
# 'ac3h5+ch3=ac3h4+ch4 3.02E+12 -0.32 -131.0 !Tsang 1991'
3.02E+12
-0.32
-131
# 'ac3h5+ac3h5=c6h10 3.00E+47 -8.0 19780.0 !Tsang 1991'
3.00E+47
-8
19780
# 'c6h10+oh=c6h9+h2o 4.16E+6 2.0 -298.0 !This Study'
4.16E+06
2
-298
# 'c6h9+ho2=ch2chcho+ac3h5+oh 5.0E+12 0.0 0.0 !This Study'
5.00E+12
0
0
# 'pc3h5+o2=ch3hco+hco 1.09E+23 -3.29 3892.0 !Marinov 1996'
1.09E+23
-3.29
3892
# 'pc3h5+o2=ch3chco+h+o 1.60E+15 -0.78 3135.0 !Marinov 1996'
1.60E+15
-0.78
3135
# 'pc3h5+o=ch3chco+h 1.00E+14 0.0 0.0 !Marinov 1996'
1.00E+14
0
0
# 'pc3h5+h=pc3h4+h2 2.00E+13 0.0 0.0 !Marinov 1996'
2.00E+13
0
0
# 'pc3h5+oh=pc3h4+h2o 1.00E+13 0.0 0.0 !Marinov 1996'
1.00E+13
0
0
# 'pc3h5+h=ac3h5+h 1.00E+14 0.0 0.0 !Marinov 1996'
1.00E+14
0
0
# 'sc3h5+h=ac3h5+h 1.00E+14 0.0 0.0 !Marinov 1996'
1.00E+14
0
0
# 'sc3h5+o2=ch3co+ch2o 1.09E+22 -3.29 3892.0 !Marinov 1996'
1.09E+22
-3.29
3892
# 'sc3h5+o=ch2co+ch3 1.00E+14 0.0 0.0 !Marinov 1996'
1.00E+14
0
0
# 'sc3h5+h=pc3h4+h2 4.00E+13 0.0 0.0 !Marinov 1996'
4.00E+13
0
0
# 'sc3h5+oh=pc3h4+h2o 2.00E+13 0.0 0.0 !Marinov 1996'
2.00E+13
0
0
# 'ac3h4+h=h2ccch+h2 2.00E+7 2.0 5000.0 !Marinov 1997'
2.00E+07
2
5000
# 'ac3h4+o=c2h4+co 1.34E+07 1.88 179.0 !Marinov 1996'
1.34E+07
1.88
179
# 'ac3h4+oh=h2ccch+h2o 1.00E+7 2.0 1000.0 !Marinov 1997'
1.00E+07
2
1000
# 'ac3h4+ch3=h2ccch+ch4 1.50E+0 3.5 5600.0 !Marinov 1997'
1.50E+00
3.5
5600

# 'ac3h4=pc3h4 1.48E+13 0.0 60401.0 !Marinov 1997'


1.48E+13
0
60401
# 'pc3h4+h=h2ccch+h2 2.00E+7 2.0 5000.0 !Marinov 1997'
2.00E+07
2
5000
# 'pc3h4+o=c2h4+co 1.50E+13 0.0 2102.0 !Marinov 1996'
1.50E+13
0
2102
# 'pc3h4+oh=h2ccch+h2o 1.00E+7 2.0 1000.0 !Marinov 1997'
1.00E+07
2
1000
# 'pc3h4+ch3=h2ccch+ch4 1.50E+0 3.5 5600.0 !Marinov 1997'
1.50E+00
3.5
5600
# 'pc3h4+h=ch3+c2h2 5.12E+10 1.0 2060.0 !Marinov 1997'
5.12E+10
1
2060
# 'pc3h4+h(+m)=sc3h5(+m) 6.50E+12 0.0 2000.0 !Wagner 1972'
#
'low / 8.45E+39 -7.27 6577.0 /'
6.50E+12
0
2000
# 'ac3h4+h(+m)=ac3h5(+m) 1.20E+11 0.69 3007.0 !Tsang 1992'
#
'low / 5.56E+33 -5.0 4448.0 /'
1.20E+11
0.69
3007
# 'ac3h4+h(+m)=sc3h5(+m) 8.49E+12 0.0 2000.0 !Wagner 1972'
#
'low / 1.11E+34 -5.0 4448.0 /'
8.49E+12
0
2000
# 'h2ccch+o2=ch2co+hco 3.00E+10 0.0 2868.0 !Miller 1992'
3.00E+10
0
2868
# 'h2ccch+o=ch2o+c2h 1.40E+14 0.0 0.0 !Pauwels 1995'
1.40E+14
0
0
# 'h2ccch+h=c3h2+h2 5.00e+13 0.0 1000.0 !Pauwels 1995'
5.00E+13
0
1000
# 'h2ccch+oh=c3h2+h2o 2.00E+13 0.0 0.0 !Miller 1992'
2.00E+13
0
0
# 'h2ccch+ch3=c3h2+ch4 2.00E+13 0.0 0.0 !Marinov 1997'
2.00E+13
0
0
# 'h2ccch+h(+m)=ac3h4(+m) 1.66E+15 -0.37 0.0 !Marinov 1996'
#
'low / 3.36E+45 -8.52 6293.0 /'
#
'h2o/5.0/ h2/2.0/ co2/3.0/ co/2.0/ o2/2.0/ c2h2/2.0/'
1.66E+15
-0.37
0
# 'h2ccch+h(+m)=pc3h4(+m) 1.66E+15 -0.37 0.0 !Marinov 1996'
#
'low / 8.78E+45 -8.9 7974.0 /'
#
'h2o /5.0/ h2/2.0/ co2/3.0/ co/2.0/ o2/2.0/ c2h2/2.0/'
1.66E+15
-0.37
0
# 'c3h2+o2=hcco+co+h 2.00E+12 0.0 1000.0 !Pauwels 1995'
2.00E+12
0
1000
# 'c3h2+o=c2h2+co 1.00E+14 0.0 0.0 !Pauwels 1995'
1.00E+14
0
0
# 'c3h2+oh=c2h2+hco 5.00E+13 0.0 0.0 !Miller 1992'
5.00E+13
0
0
# 'n+no=n2+o 3.50E+13 0.00 330.0 !GRI-Mech2.11'
3.50E+13
0
330
# 'n+o2=no+o 2.65E+12 0.00 6400.0 !GRI-Mech2.11'
2.65E+12
0
6400
# 'n+oh=no+h 7.33E+13 0.00 1120.0 !GRI-Mech2.11'
7.33E+13
0
1120

# 'n2o+o=n2+o2 1.40E+12 0.00 10810.0 !GRI-Mech2.11'


1.40E+12
0
10810
# 'n2o+o=2no 2.90E+13 0.00 23150.0 !GRI-Mech2.11'
2.90E+13
0
23150
# 'n2o+h=n2+oh 4.40E+14 0.00 18880.0 !GRI-Mech2.11'
4.40E+14
0
18880
# 'n2o+oh=n2+ho2 2.00E+12 0.00 21060.0 !GRI-Mech2.11'
2.00E+12
0
21060
# 'n2o(+m)=n2+o(+m) 1.30E+11 0.00 59620.0 !GRI-Mech2.11'
#
'low / 6.200e+14 .000 56100.00/'
#
'h2/2.00/ h2o/6.00/ ch4/2.00/ co/1.50/ co2/2.00/ c2h6/3.00/ ar/ .70/'
1.30E+11
0
59620
# 'no+ho2=no2+oh 2.11E+12 0.00 -480.0 !GRI-Mech2.11'
2.11E+12
0
-480
# 'no+o+m=no2+m 1.06E+20 -1.410 0.0 !GRI-Mech2.11'
#
'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 3.90E+12 0.00 -240.0 !GRI-Mech2.11'
3.90E+12
0
-240
# 'no2+h=no+oh 1.32E+14 0.00 360.0 !GRI-Mech2.11'
1.32E+14
0
360
# 'nh+o=no+h 5.00E+13 0.00 0.0 !GRI-Mech2.11'
5.00E+13
0
0
# 'nh+h=n+h2 3.20E+13 0.00 330.0 !GRI-Mech2.11'
3.20E+13
0
330
# 'nh+oh=hno+h 2.00E+13 0.00 0.0 !GRI-Mech2.11'
2.00E+13
0
0
# 'nh+oh=n+h2o 2.00E+09 1.20 0.0 !GRI-Mech2.11'
2.00E+09
1.2
0
# 'nh+o2=hno+o 4.61E+05 2.00 6500.0 !GRI-Mech2.11'
4.61E+05
2
6500
# 'nh+o2=no+oh 1.28E+06 1.50 100.0 !GRI-Mech2.11'
1.28E+06
1.5
100
# 'nh+n=n2+h 1.50E+13 0.00 0.0 !GRI-Mech2.11'
1.50E+13
0
0
# 'nh+h2o=hno+h2 2.00E+13 0.00 13850.0 !GRI-Mech2.11'
2.00E+13
0
13850
# 'nh+no=n2+oh 2.16E+13 -.230 0.0 !GRI-Mech2.11'
2.16E+13
-0.23
0
# 'nh+no=n2o+h 4.16E+14 -.450 0.0 !GRI-Mech2.11'
4.16E+14
-0.45
0
# 'nh2+o=oh+nh 7.00e+12 .000 .00 !GRI-Mech2.11'
7.00E+12
0
0
# 'nh2+o=h+hno 4.60e+13 .000 .00 !GRI-Mech2.11'
4.60E+13
0
0
# 'nh2+h=nh+h2 4.00e+13 .000 3650.00 !GRI-Mech2.11'
4.00E+13
0
3650
# 'nh2+oh=nh+h2o 9.00e+07 1.500 -460.00 !GRI-Mech2.11'
9.00E+07
1.5
-460
# 'nnh=n2+h 3.30e+08 .000 .00 !GRI-Mech2.11'
3.30E+08
0
0

# 'nnh+m=n2+h+m 1.30e+14 -.110 4980.00 !GRI-Mech2.11'


#
'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 5.00e+12 .000 .00 !GRI-Mech2.11'
5.00E+12
0
0
# 'nnh+o=oh+n2 2.50e+13 .000 .00 !GRI-Mech2.11'
2.50E+13
0
0
# 'nnh+o=nh+no 7.00e+13 .000 .00 !GRI-Mech2.11'
7.00E+13
0
0
# 'nnh+h=h2+n2 5.00e+13 .000 .00 !GRI-Mech2.11'
5.00E+13
0
0
# 'nnh+oh=h2o+n2 2.00e+13 .000 .00 !GRI-Mech2.11'
2.00E+13
0
0
# 'nnh+ch3=ch4+n2 2.50e+13 .000 .00 !GRI-Mech2.11'
2.50E+13
0
0
# 'h+no+m=hno+m 8.95e+19 -1.320 740.00 !GRI-Mech2.11'
#
'h2/2.00/ h2o/6.00/ ch4/2.00/ co/1.50/ co2/2.00/ c2h6/3.00/ ar/ .70/'
8.95E+19
-1.32
740
# 'hno+o=no+oh 2.50e+13 .000 .00 !GRI-Mech2.11'
2.50E+13
0
0
# 'hno+h=h2+no 4.50e+11 .720 660.00 !GRI-Mech2,11'
4.50E+11
0.72
660
# 'hno+oh=no+h2o 1.30e+07 1.900 -950.00 !GRI-Mech2.11'
1.30E+07
1.9
-950
# 'hno+o2=ho2+no 1.00e+13 .000 13000.00 !GRI-Mech2.11'
1.00E+13
0
13000
# 'cn+o=co+n 7.70e+13 .000 .00 !GRI-Mech2.11'
7.70E+13
0
0
# 'cn+oh=nco+h 4.00e+13 .000 .00 !GRI-Mech2.11'
4.00E+13
0
0
# 'cn+h2o=hcn+oh 8.00e+12 .000 7460.00 !GRI-Mech2.11'
8.00E+12
0
7460
# 'cn+o2=nco+o 6.14e+12 .000 -440.00 !GRI-Mech2.11'
6.14E+12
0
-440
# 'cn+h2=hcn+h 2.10e+13 .000 4710.00 !GRI-Mech2.11'
2.10E+13
0
4710
# 'nco+o=no+co 2.35e+13 .000 .00 !GRI-Mech2.11'
2.35E+13
0
0
# 'nco+h=nh+co 5.40e+13 .000 .00 !GRI-Mech2.11'
5.40E+13
0
0
# 'nco+oh=no+h+co 2.50e+12 .000 .00 !GRI-Mech2.11'
2.50E+12
0
0
# 'nco+n=n2+co 2.00e+13 .000 .00 !GRI-Mech2.11'
2.00E+13
0
0
# 'nco+o2=no+co2 2.00e+12 .000 20000.00 !GRI-Mech2.11'
2.00E+12
0
20000
# 'nco+m=n+co+m 8.80e+16 -.500 48000.00 !GRI-Mech2.11'
#
'h2/2.00/ h2o/6.00/ ch4/2.00/ co/1.50/ co2/2.00/ c2h6/3.00/ ar/ .70/'
8.80E+16
-0.5
48000
# 'nco+no=n2o+co 2.85e+17 -1.520 740.00 !GRI-Mech2.11'
2.85E+17
-1.52
740

# 'nco+no=n2+co2 5.70e+18 -2.000 800.00 !GRI-Mech2.11'


5.70E+18
-2
800
# 'hcn+m=h+cn+m 1.04e+29 -3.300 126600.00 !GRI-Mech2.11'
#
'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 1.11e+04 2.640 4980.00 !GRI-Mech2.11'
1.11E+04
2.64
4980
# 'hcn+o=nh+co 2.77e+03 2.640 4980.00 !GRI-Mech2.11'
2770
2.64
4980
# 'hcn+o=cn+oh 2.13e+09 1.580 26600.00 !GRI-Mech2.11'
2.13E+09
1.58
26600
# 'hcn+oh=hocn+h 1.10e+06 2.030 13370.00 !GRI-Mech2.11'
1.10E+06
2.03
13370
# 'hcn+oh=hnco+h 4.40e+03 2.260 6400.00 !GRI-Mech2.11'
4400
2.26
6400
# 'hcn+oh=nh2+co 1.60e+02 2.560 9000.00 !GRI-Mech2.11'
160
2.56
9000
# 'h+hcn+m=h2cn+m 1.40e+26 -3.400 1900.00 !GRI-Mech2.11'
#
'h2/2.00/ h2o/6.00/ ch4/2.00/ co/1.50/ co2/2.00/ c2h6/3.00/ ar/ .70/'
1.40E+26
-3.4
1900
# 'h2cn+n=n2+ch2 6.00e+13 .000 400.00 !GRI-Mech2.11'
6.00E+13
0
400
# 'c+n2=cn+n 6.30e+13 .000 46020.00 !GRI-Mech2.11'
6.30E+13
0
46020
# 'ch+n2=hcn+n 2.86e+08 1.100 20400.00 !GRI-Mech2.11'
2.86E+08
1.1
20400
# 'ch+n2(+m)=hcnn(+m) 3.10e+12 .150 .00 !GRI-Mech2.11'
#
'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/ .70/'
3.10E+12
0.15
0
# 'ch2+n2=hcn+nh 1.00e+13 .000 74000.00 !GRI-Mech2.11'
1.00E+13
0
74000
# 'ch2(s)+n2=nh+hcn 1.00e+11 .000 65000.00 !GRI-Mech2.11'
1.00E+11
0
65000
# 'c+no=cn+o 1.90e+13 .000 .00 !GRI-Mech2.11'
1.90E+13
0
0
# 'c+no=co+n 2.90e+13 .000 .00 !GRI-Mech2.11'
2.90E+13
0
0
# 'ch+no=hcn+o 5.00e+13 .000 .00 !GRI-Mech2.11'
5.00E+13
0
0
# 'ch+no=h+nco 2.00e+13 .000 .00 !GRI-Mech2.11'
2.00E+13
0
0
# 'ch+no=n+hco 3.00e+13 .000 .00 !GRI-Mech2.11'
3.00E+13
0
0
# 'ch2+no=h+hnco 3.10e+17 -1.380 1270.00 !GRI-Mech2.11'
3.10E+17
-1.38
1270
# 'ch2+no=oh+hcn 2.90e+14 -.690 760.00 !GRI-Mech2.11'
2.90E+14
-0.69
760
# 'ch2+no=h+hcno 3.80e+13 -.360 580.00 !GRI-Mech2.11'
3.80E+13
-0.36
580

# 'ch2(s)+no=h+hnco 3.10e+17 -1.380 1270.00 !GRI-Mech2.11'


3.10E+17
-1.38
1270
# 'ch2(s)+no=oh+hcn 2.90e+14 -.690 760.00 !GRI-Mech2.11'
2.90E+14
-0.69
760
# 'ch2(s)+no=h+hcno 3.80e+13 -.360 580.00 !GRI-Mech2.11'
3.80E+13
-0.36
580
# 'ch3+no=hcn+h2o 9.60e+13 .000 28800.00 !GRI-Mech2.11'
9.60E+13
0
28800
# 'ch3+no=h2cn+oh 1.00e+12 .000 21750.00 !GRI-Mech2.11'
1.00E+12
0
21750
# 'hcnn+o=co+h+n2 2.20e+13 .000 .00 !GRI-Mech2.11'
2.20E+13
0
0
# 'hcnn+o=hcn+no 2.00e+12 .000 .00 !GRI-Mech2.11'
2.00E+12
0
0
# 'hcnn+o2=o+hco+n2 1.20e+13 .000 .00 !GRI-Mech2.11'
1.20E+13
0
0
# 'hcnn+oh=h+hco+n2 1.20e+13 .000 .00 !GRI-Mech2.11'
1.20E+13
0
0
# 'hcnn+h=ch2+n2 1.00e+14 .000 .00 !GRI-Mech2.11'
1.00E+14
0
0
# 'hnco+o=nh+co2 9.80e+07 1.410 8500.00 !GRI-Mech2.11'
9.80E+07
1.41
8500
# 'hnco+o=hno+co 1.50e+08 1.570 44000.00 !GRI-Mech2.11'
1.50E+08
1.57
44000
# 'hnco+o=nco+oh 2.20e+06 2.110 11400.00 !GRI-Mech2.11'
2.20E+06
2.11
11400
# 'hnco+h=nh2+co 2.25e+07 1.700 3800.00 !GRI-Mech2.11'
2.25E+07
1.7
3800
# 'hnco+h=h2+nco 1.05e+05 2.500 13300.00 !GRI-Mech2.11'
1.05E+05
2.5
13300
# 'hnco+oh=nco+h2o 4.65e+12 .000 6850.00 !GRI-Mech2.11'
4.65E+12
0
6850
# 'hnco+oh=nh2+co2 1.55e+12 .000 6850.00 !GRI-Mech2.11'
1.55E+12
0
6850
# 'hnco+m=nh+co+m 1.18e+16 .000 84720.00 !GRI-Mech2.11'
#
'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 2.10e+15 -.690 2850.00 !GRI-Mech2.11'
2.10E+15
-0.69
2850
# 'hcno+h=oh+hcn 2.70e+11 .180 2120.00 !GRI-Mech2.11'
2.70E+11
0.18
2120
# 'hcno+h=nh2+co 1.70e+14 -.750 2890.00 !GRI-Mech2.11'
1.70E+14
-0.75
2890
# 'hocn+h=h+hnco 2.00e+07 2.000 2000.00 !GRI-Mech2.11'
2.00E+07
2
2000
# 'hcco+no=hcno+co 2.35e+13 .000 0.00 !GRI-Mech2.11'
2.35E+13
0
0
# 'ch3+n=h2cn+h 6.10e+14 -.310 290.00 !GRI-Mech2.11'
6.10E+14
-0.31
290
# 'ch3+n=hcn+h2 3.70e+12 .150 -90.00 !GRI-Mech2.11'
3.70E+12
0.15
-90

# 'nh3+h=nh2+h2 5.40e+05 2.400 9915.00 !GRI-Mech2.11'


5.40E+05
2.4
9915
# 'nh3+oh=nh2+h2o 5.00e+07 1.600 955.00 !GRI-Mech2.11'
5.00E+07
1.6
955
# 'nh3+o=nh2+oh 9.40e+06 1.940 6460.00 !GRI-Mech2.11'
9.40E+06
1.94
6460
# 'ch3no2(+m)=ch3+no2(+m) 1.78E+16 0.0 58500.0 !Glaenzer 1972'
#
'low /1.26E+17 0.0 42000./'
1.78E+16
0
58500
# 'ch3no2+oh=ch2o+no+h2o 3.00E+6 2.0 2000.0 !This Study'
3.00E+06
2
2000
# 'ch3no2+o=ch2o+no+oh 1.51E+13 0.0 5354.0 !Salter 1977'
1.51E+13
0
5354
# 'ch3no2+h=ch2o+no+h2 4.67E+12 0.0 3732.0 !Ko 1991'
4.67E+12
0
3732
# 'ch3no2+ch3=ch2o+no+ch4 7.08E+11 0.0 11140.0 !Ballod 1980'
7.08E+11
0
11140
# 'ac3h5+no2=c3h5no2 1.44E+50 -12.01 10260.0 !This Study'
1.44E+50
-12.01
10260
# 'c3h5no2+oh=ch2chcho+no+h2o 2.08E+6 2.0 -298.0 !This Study'
2.08E+06
2
-298
# 'c3h5no2+h=ch2chcho+no+h2 1.15E+5 2.5 2492.0 !This Study'
1.15E+05
2.5
2492
# 'c3h5no2+ch3=ch2chcho+no+ch4 1.48E+0 3.5 5675.0 !This Study'
1.48E+00
3.5
5675
# 'hno2+h=no2+h2 2.40E+8 1.5 5087.0 !Dean 1997'
2.40E+08
1.5
5087
# 'hno2+o=no2+oh 1.70E+8 1.5 3020.0 !Dean 1997'
1.70E+08
1.5
3020
# 'hno2+oh=no2+h2o 1.20E+6 2.0 -596.0 !Dean 1997'
1.20E+06
2
-596
# 'hno2+ch3=no2+ch4 8.10E+5 1.87 4838.0 !Dean 1997'
8.10E+05
1.87
4838
# 'hno2=hono 1.30E+29 -5.47 52814.0 !Dean 1997'
1.30E+29
-5.47
52814
# 'hono+ch3=no2+ch4 8.10E+5 1.87 5504.0 !Dean 1997'
8.10E+05
1.87
5504
# 'hono+oh=no2+h2o 1.26E+10 1.0 135.0 !Dean 1997'
1.26E+10
1
135
# 'hono+o=no2+oh 1.21E+13 0.0 5962.0 !Dean 1997'
1.21E+13
0
5962
# 'hono+h=no2+h2 1.21E+13 0.0 7353.0 !Dean 1997'
1.21E+13
0
7353
# 'hono+hono=no+no2+h2o 1.02E+13 0.0 8540.0 !England 1975'
1.02E+13
0
8540
# 'no+oh(+m)=hono(+m) 2.00E+13 0.0 0.0 !Forster 1995'
#
'low /2.33E+23 -2.4 0.0/'
2.00E+13
0
0
# 'oh+no2(+m)=hono2(+m) 2.40E+13 0.0 0.0 !Tsang 1991'
#
'low / 6.42E+32 -5.49 2351./'
#
'troe/0.525 1.0E-15 1.0E-15 1.0E+15/'

'h2o /5.0/'

2.40E+13
0
0
# 'hono2+oh=no3+h2o 1.03E+10 0.0 -1240.0 !Lamb 1984'
1.03E+10
0
-1240
# 'no3=no+o2 2.50E+6 0.0 12122.0 !Johnston 1986'
2.50E+06
0
12122
# 'no2+o+m=no3+m 2.94E+21 -2.0 0.0 !Atkinson 1989'
2.94E+21
-2
0
# 'no2+no2=no3+no 9.60E+9 0.73 20923.0 !Tsang 1991'
9.60E+09
0.73
20923
# 'dup !Tsang 1991'
# ' no2+no2=no3+no
1.60E+12 0.0 26123.0 !Tsang 1991'
1.60E+12
0
26123
# 'dup !Tsang 1991'
# ' ch3o+no(+m)=ch3ono(+m)
1.21E+13 0.0 -322.0 !Atkinson 1992'
#
'low / 2.70E+27 -3.50 0.0/'
1.21E+13
0
-322
# 'ch3o2+no=ch3o+no2 2.53E+12 0.0 -358.0 !Atkinson 1992'
2.53E+12
0
-358
# 'c2h5o2+no=ch3ch2o+no2 2.53E+12 0.0 -358.0 !This Study'
2.53E+12
0
-358
# 'hoc2h4o2+no=ch2oh+ch2o+no2 2.53E+12 0.0 -358.0 !This Study'
2.53E+12
0
-358
# 'ac3h5o2+no=ch2chch2o+no2 2.53E+12 0.0 -358.0 !This Study'
2.53E+12
0
-358
# 'hoc3h6o2+no=ch2oh+ch3hco+no2 2.53E+12 0.0 -358.0 !This Study'
2.53E+12
0
-358
# 'hoc3h4o3+no=chocho+ch2oh+no2 2.53E+12 0.0 -358.0 !This Study'
2.53E+12
0
-358
# 'cccoo+no=cccoj+no2 2.11E+12 0.0 -358.0 !This Study'
2.11E+12
0
-358
# 'c2coo+no=c2coj+no2 2.11E+12 0.0 -358.0 !This Study'
2.11E+12
0
-358
# 'ch3o+no=ch2o+hno 6.00E+13 -0.6 0.0 !Frost 1990'
6.00E+13
-0.6
0
# 'ch3ch2o+no=ch3hco+hno 4.00E+13 -0.6 0.0 !This Study'
4.00E+13
-0.6
0
# 'ch2chch2o+no=ch2chcho+hno 4.00E+13 -0.6 0.0 !This Study'
4.00E+13
-0.6
0
# 'cccoj+no=cccho+hno 4.00E+13 -0.6 0.0 !This Study'
4.00E+13
-0.6
0
# 'ch3+no(+m)=ch3no(+m) 2.17E+11 0.6 0.0 !Jodkowski 1993'
#
'low /2.06E+27 -3.50 0.0/'
2.17E+11
0.6
0
# 'co+no2=co2+no 9.04E+13 0.0 33782.0 !Tsang 1991'
9.04E+13
0
33782
# 'ch3+no2=ch3o+no 1.50E+13 0.0 0.0 !Yamada 1981'
1.50E+13
0
0
# 'ch3o+no2(+m)=ch3ono2(+m) 1.20E+13 0.0 0.0 !Atkinson 1992'
#
'low / 1.40E+30 -4.50 0.0/'
1.20E+13
0
0

# 'c2h5+no2=ch3ch2o+no 2.70E+13 0.0 0.0 !Park 1983'


2.70E+13
0
0
# 'ch2hco+no2=ch2o+hco+no 1.00E+13 0.0 0.0 !Barnhard 1991'
1.00E+13
0
0
# 'ac3h5+no2=ch2chch2o+no 2.30E+13 0.0 0.0 !Slagle 1981'
2.30E+13
0
0
# 'c6h9+no2=ch2chcho+ac3h5+no 2.00E+13 0.0 0.0 !This Study'
2.00E+13
0
0
# 'no2+ho2=hono+o2 6.31E+08 1.25 5000.0 !This Study'
6.31E+08
1.25
5000
# 'ch3o+no2=ch2o+hono 4.00E+12 0.0 2285.0 !McCaulley 1985'
4.00E+12
0
2285
# 'ch3ch2o+no2=ch3hco+hono 2.70E+12 0.0 105.0 !This Study'
2.70E+12
0
105
# 'ch2chch2o+no2=ch2chcho+hono 2.70E+12 0.0 105.0 !This Study'
2.70E+12
0
105
# 'c2coj+no2=acetone+hono 2.70E+12 0.0 105.0 !This Study'
2.70E+12
0
105
# 'cccoj+no2=cccho+hono 2.70E+12 0.0 105.0 !This Study'
2.70E+12
0
105
# 'end !This Study'
END

preadSheet

C.K., Hori, M., and Matsunaga, N.


n of the Promotion Effect of Hydrocarbons

CRL-JC- 129372).
Reaction
O+H2=OH+H
oh+h2=h+h2o
o+oh=o2+h
o+h2=oh+h

4/10.0/ co2/3.8/ co/1.9/'


h+o2+M[LIN;1.05E+19;-1.257;0;h2o(0);h2(0);n2(0);ch4(10);co2(3.8);co(1.9)]=ho2

h+o2+M[LIN;2.03E+20;-1.59;0;-n2(1)]=ho2

h+o2+M[LIN;1.52E+19;-1.133;0;-h2(1)]=ho2

h+o2+M[LIN;2.10E+23;-2.437;0;-h2o(1)]=ho2
oh+ho2=h2o+o2

oh+ho2=h2o+o2

h+ho2=oh+oh
h+ho2=h2+o2
h+ho2=o+h2o
o+ho2=o2+oh
oh+oh=o+h2o

h+h+M[h2o(0);h2(0)]=h2
h+h+h2=h2+h2

h+h+h2o=h2+h2o

h+oh+M[h2o(6.4)]=h2o

h+o+M[h2o(6.4)]=oh
o+o+M=o2+M
ho2+ho2=h2o2+o2

arinov 1995a'
ho2+ho2=h2o2+o2

arinov 1995a'

oh+oh+M[TROE;3.04E+30;-4.63;2049;0.470;100;2000;1.0E+15]=h2o2
h2o2+h=ho2+h2
h2o2+h=oh+h2o
h2o2+o=oh+ho2
h2o2+oh=h2o+ho2

ch3+ch3+M[TROE;1.14E+36;-5.246;1705;0.405;1120;69.6;1.0E+15;h2o(5);h2(2);co2(3)

ch3+h+M[TROE;3.31E+30;-4;2108;0;1.0E-15;1.0E-15;40;h2o(5);h2(2);co2(3);co(2)]=c
ch4+h=ch3+h2
ch4+oh=ch3+h2o
ch4+o=ch3+oh
ch4+ho2=ch3+h2o2
ch3+ho2=ch3o+oh
ch3+ho2=ch4+o2

ch3+o=ch2o+h
ch3+o2=ch3o+o
ch3+o2=ch2o+oh

ch3+o2=ch3o2
h3o2+h=ch3o+oh 9.64E+13 0.0 0.0 !Tsang 1986 !Tsang 1986'
ch3o2+o=ch3o+o2
ch3o2+ch3=ch3o+ch3o
ch3o2+ho2=ch3ooh+o2
ch3ooh=ch3o+oh
ch3ooh+oh=ch3o2+h2o
ch3o+h=ch3+oh
ch2oh+h=ch3+oh
ch3+oh=ch2(s)+h2o
ch3+oh=ch2+h2o
ch3+oh=hcoh+h2
ch3+h=ch2+h2
ch3+M=ch+h2+M
ch3+M=ch2+h+M

ch3+oh+M[TROE;8.84E+41;-7.4;626;0.025;1.0E-15;8000;3000;h2o(10);h2(2);co2(3);co

ch3oh+M[TROE;1.78e49;-8.81;99369.;0.9;740;980;5100;h2o(10);h2(2);co2(3);co(2)]=

ch3oh+M[TROE;5.02e47;-8.402;94823.;0.9;615;915;4615;h2o(10);h2(2);co2(3);co(2)]

ch3oh+M[TROE;9.784e47;-8.4;101761.;0.9;825;1125;5700;h2o(10);h2(2);co2(3);co(2)
ch3oh+oh=ch2oh+h2o
ch3oh+oh=ch3o+h2o
ch3oh+o=ch2oh+oh
ch3oh+h=ch2oh+h2
ch3oh+h=ch3o+h2
ch3oh+ho2=ch2oh+h2o2

ch2o+h+M[TROE;1.50E+30;-4.80;5560;0.758;94;1555;4200;h2o(5)]=ch3o

ch2o+h+M[TROE;9.10E+31;-4.82;6530;0.7187;103;1291;4160;h2o(5)]=ch2oh
ch3o+ch3=ch2o+ch4
ch3o+h=ch2o+h2
ch2oh+h=ch2o+h2
ch3o+oh=ch2o+h2o
ch2oh+oh=ch2o+h2o
ch3o+o=ch2o+oh
ch2oh+o=ch2o+oh
ch3o+o2=ch2o+ho2
ch3o+co=ch3+co2
ch2oh+o2=ch2o+ho2

Baulch 1992'
ch2oh+o2=ch2o+ho2

hcoh+oh=hco+h2o

hcoh+h=ch2o+h
hcoh+o=co2+h+h
hcoh+o=co+oh+h
hcoh+o2=co+oh+oh
hcoh+o2=co2+h2o
hcoh=ch2o
ch2+h=ch+h2
ch2+oh=ch+h2o
ch2+oh=ch2o+h
ch2+co2=ch2o+co
ch2+o=co+h+h
ch2+o=co+h2
ch2+o2=ch2o+o
ch2+o2=co2+h+h
ch2+o2=co2+h2
ch2+o2=co+h2o
ch2+o2=hco+oh
ch2+ch3=c2h4+h
ch2+ch2=c2h2+h+h
ch2+hcco=c2h3+co
ch2+c2h2=h2ccch+h

ch2(s)+M[h(12);c2h2(4);h2o(3)]=ch2
ch2(s)+ch4=ch3+ch3
ch2(s)+c2h6=ch3+c2h5
ch2(s)+o2=co+oh+h

ch2(s)+h2=ch3+h
ch2(s)+c2h2=h2ccch+h
ch2(s)+c2h4=ac3h5+h
ch2(s)+o=co+h+h
ch2(s)+oh=ch2o+h
ch2(s)+h=ch+h2
ch2(s)+co2=ch2o+co
ch2(s)+ch3=c2h4+h
ch2(s)+ch2co=c2h4+co
ch+o2=hco+o
ch+o=co+h
ch+oh=hco+h
ch+co2=hco+co
ch+h2o=ch2o+h
ch+ch2o=ch2co+h
ch+c2h2=c3h2+h
ch+ch2=c2h2+h
ch+ch3=c2h3+h
ch+ch4=c2h4+h
ch2o+oh=hco+h2o
ch2o+h=hco+h2
ch2o+M=hco+h+M
ch2o+o=hco+oh
hco+o2=ho2+co

o/1.87/ ch4/2.81/'
hco+M[h2o(5);h2(1.87);co2(3);co(1.87);ch4(2.81)]=h+co

hco+oh=h2o+co
hco+h=co+h2
hco+o=co+oh
hco+o=co2+h
co+oh=co2+h
co+o+M=co2+M
co+o2=co2+o
co+ho2=co2+oh
c2h6+ch3=c2h5+ch4
c2h6+h=c2h5+h2
c2h6+o=c2h5+oh
c2h6+oh=c2h5+h2o
c2h5+h=c2h4+h2
c2h5+h=ch3+ch3
c2h5+h=c2h6
c2h5+oh=c2h4+h2o
c2h5+o=ch3+ch2o
c2h5+ho2=c2h6+o2
c2h5+ho2=ch3ch2o+oh
c2h5+o2=c2h4+ho2
c2h5+o2=c2h5o2
c2h5+o2=ch3hco+oh
c2h5+o2=ch2ch2ooh
c2h5o2=ch2ch2ooh
c2h5o2=c2h4+ho2
c2h5o2+ho2=c2h5ooh+o2

c2h5ooh=ch3ch2o+oh
ch2ch2ooh=c2h4+ho2
ch2ch2ooh+o2=hooc2h4o2
hooc2h4o2=cqc*o+oh
cqc*o=ch2o+hco+oh
c2h4+oh=c2h4oh
c2h4oh+o2=hoc2h4o2
hoc2h4o2=ch2o+ch2o+oh
c2h4+oh=c2h3+h2o
c2h4+o=ch3+hco
c2h4+o=ch2hco+h
c2h4+ch3=c2h3+ch4
c2h4+h=c2h3+h2

c2h4+h+M[TROE;1.112E+34;-5;4448;1;1.0E-15;95;200;h2o(5);h2(2);co2(3);co(2)]=c2h

c2h4+M[LIN;1.50E+15;0;55443.]=c2h2+h2

c2h3+h+M[TROE;9.80E+29;-3.86;3320;0.782;208;2663;6095;h2o(5)]=c2h4
c2h3+h=c2h2+h2
c2h3+o=ch2co+h
c2h3+o2=ch2o+hco
c2h3+o2=ch2hco+o
c2h3+o2=c2h2+ho2
c2h3+oh=c2h2+h2o

c2h3+c2h=c2h2+c2h2
c2h3+ch=ch2+c2h2
c2h3+ch3=ac3h5+h
c2h3+ch3=c3h6
c2h3+ch3=c2h2+ch4
c2h2+oh=c2h+h2o
c2h2+oh=hccoh+h
c2h2+oh=ch2co+h
c2h2+oh=c2h2oh
c2h2+oh=ch3+co
hccoh+h=ch2co+h
c2h2oh+o2=chocho+oh
c2h2oh+h=ch2hco+h
c2h2+o=ch2+co
c2h2+o=hcco+h
c2h2+o=c2h+oh
c2h2+ch3=c2h+ch4
c2h2+o2=hcco+oh
c2h2+M=c2h+h+M

c2h2+h+M[TROE;2.25E+40;-7.269;6577;1;1.0E-15;675;1.0E+15;h2o(5);h2(2);co2(3);co
0 !Marinov 1998'

c2h5oh+M[TROE;3.11E+85;-18.84;113095.;0.5;550;825;6100;h2o(5);h2(2);co2(3);co(2
Marinov 1998'

c2h5oh+M[TROE;5.11E+85;-18.80;118768.;0.5;650;800;1.e15;h2o(5);h2(2);co2(3);co(
!Marinov 1998'

c2h5oh+M[TROE;6.68E+82;-18.7;85500.;6.7;1.e-15;460;1.e15;h2o(5)]=c2h4+h2o
Marinov 1998'

c2h5oh+M[TROE;2.04e82;-17.94;111674.;0.9;900;1120;7500;h2o(5)]=ch3hco+h2
c2h5oh+oh=c2h4oh+h2o
c2h5oh+oh=ch3choh+h2o
c2h5oh+oh=ch3ch2o+h2o
c2h5oh+h=c2h4oh+h2
c2h5oh+h=ch3choh+h2
c2h5oh+h=ch3ch2o+h2
c2h5oh+o=c2h4oh+oh
c2h5oh+o=ch3choh+oh
c2h5oh+o=ch3ch2o+oh
c2h5oh+ch3=c2h4oh+ch4
c2h5oh+ch3=ch3choh+ch4

c2h5oh+ch3=ch3ch2o+ch4
Marinov 1998'
c2h5oh+ho2=ch3choh+h2o2
Marinov 1998'
c2h5oh+ho2=c2h4oh+h2o2
Marinov 1998'
c2h5oh+ho2=ch3ch2o+h2o2
Marinov 1998'
ch3ch2o+M=ch3hco+h+M
Marinov 1998'
ch3ch2o+M=ch3+ch2o+M
ch3ch2o+o2=ch3hco+ho2
ch3ch2o+co=c2h5+co2

ch3ch2o+h=ch3+ch2oh
ch3ch2o+h=ch3hco+h2
ch3ch2o+oh=ch3hco+h2o
ch3choh+o2=ch3hco+ho2
!Marinov 1998'
ch3choh+o2=ch3hco+ho2

Marinov 1998'
ch3choh+ch3=ic3h7+oh
ch3choh+o=ch3hco+oh
ch3choh+h=ch3hco+h2
ch3choh+h=ch3+ch2oh
ch3choh+ho2=ch3hco+oh+oh
ch3choh+oh=ch3hco+h2o
ch3choh+M=ch3hco+h+M
ch3hco+oh=ch3co+h2o
ch3hco+oh=ch2hco+h2o
ch3hco+oh=ch3+hcooh
ch3hco+o=ch3co+oh
ch3hco+o=ch2hco+oh
ch3hco+h=ch3co+h2
ch3hco+h=ch2hco+h2
ch3hco+ch3=ch3co+ch4
ch3hco+ch3=ch2hco+ch4

arinov 1998'

ch3hco+ho2=ch3co+h2o2
Marinov 1998'
ch3hco+ho2=ch2hco+h2o2
hcooh+M=co+h2o+M
hcooh+M=co2+h2+M

hcooh+oh=co2+h2o+h
hcooh+oh=co+h2o+oh
hcooh+h=co2+h2+h
hcooh+h=co+h2+oh
hcooh+ch3=ch4+co+oh
hcooh+ho2=co+h2o2+oh
hcooh+o=co+oh+oh
ch2hco+h=ch3+hco
ch2hco+h=ch2co+h2
ch2hco+o=ch2o+hco
ch2hco+oh=ch2co+h2o
ch2hco+o2=ch2o+co+oh
ch2hco+ch3=c2h5+co+h
ch2hco+ho2=ch2o+hco+oh
ch2hco+ho2=ch3hco+o2
ch2hco=ch3+co
ch2hco=ch2co+h

chocho+M[LIN;8.91E+16;0;49200.0]=ch2o+co
chocho=co+co+h2
chocho+oh=hco+co+h2o
chocho+o=hco+co+oh
chocho+h=ch2o+hco

Marinov 1995'
chocho+ho2=hco+co+h2o2
chocho+ch3=hco+co+ch4
chocho+o2=hco+co+ho2

ch3co+M[LIN;1.20E+15;0;12518.0]=ch3+co
ch2co+o=co2+ch2
ch2co+h=ch3+co
ch2co+h=hcco+h2
ch2co+o=hcco+oh
ch2co+oh=hcco+h2o
ch2co+oh=ch2oh+co

ch2co+M[LIN;3.60E+15;0;59270.0]=ch2+co
c2h+h2=c2h2+h
c2h+o=ch+co
c2h+oh=hcco+h
c2h+o2=co+co+h
hcco+c2h2=h2ccch+co
hcco+h=ch2(s)+co
hcco+o=h+co+co
hcco+o=ch+co2
hcco+o2=hco+co+o
hcco+o2=co2+hco
hcco+ch=c2h2+co
hcco+hcco=c2h2+co+co
hcco+oh=c2o+h2o
c2o+h=ch+co
c2o+o=co+co
c2o+oh=co+co+h

c2o+o2=co+co+o

c3h8+M[TROE;7.237E+27;-2.88;67448.0;1;1.0E-15;1500;1.0E+15;h2o(5);co2(3);co(2)
ic3h7+ho2=c3h8+o2
nc3h7+ho2=c3h8+o2
c3h8+ho2=nc3h7+h2o2
c3h8+ho2=ic3h7+h2o2
c3h8+oh=nc3h7+h2o
c3h8+oh=ic3h7+h2o
c3h8+o=nc3h7+oh
c3h8+o=ic3h7+oh
c3h8+h=ic3h7+h2
c3h8+h=nc3h7+h2
c3h8+ch3=nc3h7+ch4
c3h8+ch3=ic3h7+ch4
c3h8+c2h3=ic3h7+c2h4
c3h8+c2h3=nc3h7+c2h4
c3h8+c2h5=ic3h7+c2h6
c3h8+c2h5=nc3h7+c2h6
c3h8+ac3h5=c3h6+nc3h7

c3h8+ac3h5=c3h6+ic3h7
encsura 1992'

nc3h7+M[TROE;5.485E+49;-10;35766.0;2.17;1.0E-15;251;1185;h2o(5);h2(2);co2(3);co

c3h6+h+M[TROE;1.64E+54;-11.1;9364;1;1.0E-15;260;3000;h2o(5);h2(2);co2(3);co(2)]
ic3h7+o2=c2coo
ic3h7+o2=c2jcq
ic3h7+o2=c3h6+ho2
ic3h7+o2=ccyc2o+oh
c2coo=c2jcq
c2coo=c3h6+ho2
c2coo=ccyc2o+oh
c2coo+ho2=c2cq+o2
c2cq=c2coj+oh
c2coj=acetone+h
c2coj=ch3+ch3hco
c2coj+o2=acetone+ho2
c2coj+co=ic3h7+co2
c2jcq=ch2hco+ch3+oh
c2jcq+o2=ccqcoo
c2jcq+o2=cc*ocq+oh
c2jcq+o2=cjcqcq
c2jcq+o2=c*ccq+ho2
ccqcoo=cc*ocq+oh
ccqcoo=cjcqcq
cjcqcq=cc*ocq+oh
cjcqcq=c*ccq+ho2
cc*ocq=ch3co+ch2o+oh
acetone+oh=ch2co+ch3+h2o
acetone+o=ch2co+ch3+oh

acetone+h=ch2co+ch3+h2
nc3h7+o2=cccoo
nc3h7+o2=cccho+oh
nc3h7+o2=ccjcq
nc3h7+o2=c3h6+ho2
nc3h7+o2=cjccq
cccoo=c3h6+ho2
cccoo=cjccq
cccoo=ccjcq
ccjcq=c3h6+ho2
ccjcq=ccyc2o+oh
cjccq=c3h6+ho2
cjccq=cyccco+oh
ccjcq+o2=ccoocq
ccjcq+o2=cjcqcq
ccjcq+o2=c*ccq+ho2
ccjcq+o2=ccqc*o+oh
ccqc*o=ch3hco+hco+oh
cqcc*o=ch2hco+ch2o+oh
ccoocq=cjcqcq
ccoocq=ccqc*o+oh
cjcqcq=ccqc*o+oh
c*ccq=ch2chch2o+oh
cjccq+o2=cooccq
cjccq+o2=cqcc*o+oh

cjccq+o2=cqcjcq
cjccq+o2=c*ccq+ho2
cooccq=cqcc*o+oh
cooccq=cqcjcq
cooccq=c*ccq+ho2
cqcjcq=cqcc*o+oh
cqcjcq=c*ccq+ho2
cccoo+ho2=cccq+o2
cccq=cccoj+oh
cccoj+o2=cccho+ho2
cccoj+co=nc3h7+co2
cccoj+M=c2h5+ch2o+M
cccoj+M=cccho+h+M
cccho+oh=c2h5+co+h2o
cccho+o=c2h5+co+oh
cccho+h=c2h5+co+h2
ic3h7+h=c2h5+ch3
nc3h7+h=c2h5+ch3
c3h6=c2h2+ch4
c3h6=ac3h4+h2
pc3h5+h=c3h6
sc3h5+h=c3h6
c3h6+ho2=ac3h5+h2o2
c3h6+oh=hoc3h6
hoc3h6+o2=hoc3h6o2
hoc3h6o2=ch3hco+ch2o+oh

hoc3h6o2+ho2=hoccqc+o2
hoccqc=ch2oh+ch3hco+oh
c3h6+oh=ac3h5+h2o
c3h6+oh=sc3h5+h2o
c3h6+oh=pc3h5+h2o
c3h6+o=ch3co+ch3
c3h6+o=c2h5+hco
c3h6+o=ac3h5+oh
c3h6+o=pc3h5+oh
c3h6+o=sc3h5+oh
c3h6+h=c2h4+ch3
c3h6+h=ac3h5+h2
c3h6+h=sc3h5+h2
c3h6+h=pc3h5+h2
c3h6+ch3=ac3h5+ch4
c3h6+ch3=sc3h5+ch4
c3h6+ch3=pc3h5+ch4
c3h6+hco=ac3h5+ch2o
c3h6+o2=ac3h5+ho2
ch3chco+oh=ch2chco+h2o
ch3chco+o=ch2chco+oh
ch3chco+h=ch2chco+h2
ch3chco+h=c2h5+co
ch3chco+o=ch3+hco+co
ch2chcho+oh=hoc3h4o

ch2chcho+oh=chchcho+h2o
chchcho+o2=c2h2+co+ho2
chchcho=c2h2+hco
hoc3h4o+o2=hoc3h4o3
hoc3h4o3=ch2o+chocho+oh
hoc3h4o3+ho2=hoccqcho+o2
hoccqcho=ch2oh+chocho+oh
ch2chcho+oh=ch2chco+h2o
ch2chcho+o=ch2chco+oh
ch2chcho+o=ch2hco+hco
ch2chcho+h=ch2chco+h2

ch2chcho+h=c2h4+hco
Marinov 1996'
ch2chcho+o2=ch2chco+ho2
ch2chco=c2h3+co
ch2chco+o=c2h3+co2
ac3h5+o2=ac3h5o2
ac3h5+o2=ch2chcho+oh
ac3h5+o2=ac3h4+ho2
ac3h5+o2=ch2hco+ch2o

ozzelli 1993'

ac3h5+o2=c2h2+ch2o+oh
.0 0.0 !This Study'
ac3h5o2+ac3h5=ch2chch2o+ch2chch2o
ac3h5o2+ho2=ac3h5o2h+o2
ac3h5o2h=ch2chch2o+oh
ac3h5+ho2=ch2chch2o+oh
ch2chch2o+o2=ch2chcho+ho2
ch2chch2o+co=ac3h5+co2

600. !This Study'

ch2chcho+h+M[TROE;1.50E+30;-4.8;5560;0.78;94;1555;4200;h2o(5)]=ch2chch2o
ac3h5+oh=ac3h4+h2o
ac3h5+h=ac3h4+h2
ac3h5+h=c3h6
ac3h5+o=ch2chcho+h
ac3h5+ch3=ac3h4+ch4
ac3h5+ac3h5=c6h10
c6h10+oh=c6h9+h2o
c6h9+ho2=ch2chcho+ac3h5+oh
pc3h5+o2=ch3hco+hco
pc3h5+o2=ch3chco+h+o
pc3h5+o=ch3chco+h
pc3h5+h=pc3h4+h2
pc3h5+oh=pc3h4+h2o
pc3h5+h=ac3h5+h
sc3h5+h=ac3h5+h
sc3h5+o2=ch3co+ch2o
sc3h5+o=ch2co+ch3
sc3h5+h=pc3h4+h2
sc3h5+oh=pc3h4+h2o
ac3h4+h=h2ccch+h2
ac3h4+o=c2h4+co
ac3h4+oh=h2ccch+h2o
ac3h4+ch3=h2ccch+ch4

ac3h4=pc3h4
pc3h4+h=h2ccch+h2
pc3h4+o=c2h4+co
pc3h4+oh=h2ccch+h2o
pc3h4+ch3=h2ccch+ch4
pc3h4+h=ch3+c2h2

pc3h4+h+M[LIN;8.45E+39;-7.27;6577]=sc3h5

ac3h4+h+M[LIN;5.56E+33;-5;4448]=ac3h5

ac3h4+h+M[LIN;1.11E+34;-5;4448]=sc3h5
h2ccch+o2=ch2co+hco
h2ccch+o=ch2o+c2h
h2ccch+h=c3h2+h2
h2ccch+oh=c3h2+h2o
h2ccch+ch3=c3h2+ch4

/2.0/ o2/2.0/ c2h2/2.0/'


h2ccch+h+M[LIN;3.36E+45;-8.52;6293;h2o(5);h2(2);co2(3);co(2);o2(2);c2h2(2)]=ac3h4

o/2.0/ o2/2.0/ c2h2/2.0/'


h2ccch+h+M[LIN;8.78E+45;-8.9;7974;h2o(5);h2(2);co2(3);co(2);o2(2);c2h2(2)]=pc3h4
c3h2+o2=hcco+co+h
c3h2+o=c2h2+co
c3h2+oh=c2h2+hco
n+no=n2+o
n+o2=no+o
n+oh=no+h

n2o+o=n2+o2
n2o+o=2no
n2o+h=n2+oh
n2o+oh=n2+ho2

0/ co/1.50/ co2/2.00/ c2h6/3.00/ ar/ .70/'


n2o+M[LIN;6.200e+14;0;56100.00;h2(2);h2o(6);ch4(2);co(1.50);co2(2);c2h6(3);ar(.70)
no+ho2=no2+oh

0/ 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
no2+o=no+o2
no2+h=no+oh
nh+o=no+h
nh+h=n+h2
nh+oh=hno+h
nh+oh=n+h2o
nh+o2=hno+o
nh+o2=no+oh
nh+n=n2+h
nh+h2o=hno+h2
nh+no=n2+oh
nh+no=n2o+h
nh2+o=oh+nh
nh2+o=h+hno
nh2+h=nh+h2
nh2+oh=nh+h2o
nnh=n2+h

0/ 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
nnh+o2=ho2+n2
nnh+o=oh+n2
nnh+o=nh+no
nnh+h=h2+n2
nnh+oh=h2o+n2
nnh+ch3=ch4+n2

0/ 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
hno+o=no+oh
hno+h=h2+no
hno+oh=no+h2o
hno+o2=ho2+no
cn+o=co+n
cn+oh=nco+h
cn+h2o=hcn+oh
cn+o2=nco+o
cn+h2=hcn+h
nco+o=no+co
nco+h=nh+co
nco+oh=no+h+co
nco+n=n2+co
nco+o2=no+co2

0/ 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
nco+no=n2o+co

nco+no=n2+co2

0/ 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
hcn+o=nco+h
hcn+o=nh+co
hcn+o=cn+oh
hcn+oh=hocn+h
hcn+oh=hnco+h
hcn+oh=nh2+co

0/ co/1.50/ co2/2.00/ c2h6/3.00/ ar/ .70/'


h+hcn+M[h2(2);h2o(6);ch4(2);co(1.50);co2(2);c2h6(3);ar(.70)]=h2cn
h2cn+n=n2+ch2
c+n2=cn+n
ch+n2=hcn+n

0/ co/1.50/ co2/2.00/ c2h6/3.00/ ar/ .70/'


ch+n2+M[TROE;1.300e+25;-3.160;740;.6670;235;2117;4536;h2(2);h2o(6);ch4(2);co(1.50
ch2+n2=hcn+nh
ch2(s)+n2=nh+hcn
c+no=cn+o
c+no=co+n
ch+no=hcn+o
ch+no=h+nco
ch+no=n+hco
ch2+no=h+hnco
ch2+no=oh+hcn
ch2+no=h+hcno

ch2(s)+no=h+hnco
ch2(s)+no=oh+hcn
ch2(s)+no=h+hcno
ch3+no=hcn+h2o
ch3+no=h2cn+oh
hcnn+o=co+h+n2
hcnn+o=hcn+no
hcnn+o2=o+hco+n2
hcnn+oh=h+hco+n2
hcnn+h=ch2+n2
hnco+o=nh+co2
hnco+o=hno+co
hnco+o=nco+oh
hnco+h=nh2+co
hnco+h=h2+nco
hnco+oh=nco+h2o
hnco+oh=nh2+co2

0/ 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
hcno+h=h+hnco
hcno+h=oh+hcn
hcno+h=nh2+co
hocn+h=h+hnco
hcco+no=hcno+co
ch3+n=h2cn+h
ch3+n=hcn+h2

nh3+h=nh2+h2
nh3+oh=nh2+h2o

nh3+o=nh2+oh
aenzer 1972'
ch3no2+M[LIN;1.26E+17;0;42000.]=ch3+no2
ch3no2+oh=ch2o+no+h2o
ch3no2+o=ch2o+no+oh
ch3no2+h=ch2o+no+h2
ch3no2+ch3=ch2o+no+ch4
ac3h5+no2=c3h5no2
c3h5no2+oh=ch2chcho+no+h2o

c3h5no2+h=ch2chcho+no+h2
0 !This Study'
c3h5no2+ch3=ch2chcho+no+ch4
hno2+h=no2+h2
hno2+o=no2+oh
hno2+oh=no2+h2o
hno2+ch3=no2+ch4
hno2=hono
hono+ch3=no2+ch4
hono+oh=no2+h2o
hono+o=no2+oh
hono+h=no2+h2
hono+hono=no+no2+h2o

no+oh+M[LIN;2.33E+23;-2.4;0]=hono

oh+no2+M[TROE;6.42E+32;-5.49;2351;0.525;1.0E-15;1.0E-15;1.0E+15;h2o(5)]=hono2
hono2+oh=no3+h2o
no3=no+o2
no2+o+M=no3+M
no2+no2=no3+no

0 !Tsang 1991'
no2+no2=no3+no

22.0 !Atkinson 1992'


ch3o+no+M[LIN;2.70E+27;-3.50;0]=ch3ono
ch3o2+no=ch3o+no2

c2h5o2+no=ch3ch2o+no2
0 !This Study'
hoc2h4o2+no=ch2oh+ch2o+no2

ac3h5o2+no=ch2chch2o+no2
8.0 !This Study'
hoc3h6o2+no=ch2oh+ch3hco+no2
8.0 !This Study'
hoc3h4o3+no=chocho+ch2oh+no2
cccoo+no=cccoj+no2
c2coo+no=c2coj+no2
ch3o+no=ch2o+hno
ch3ch2o+no=ch3hco+hno
ch2chch2o+no=ch2chcho+hno
cccoj+no=cccho+hno

ch3+no+M[LIN;2.06E+27;-3.50;0]=ch3no
co+no2=co2+no
ch3+no2=ch3o+no

ch3o+no2+M[LIN;1.40E+30;-4.50;0]=ch3ono2

c2h5+no2=ch3ch2o+no
ch2hco+no2=ch2o+hco+no
ac3h5+no2=ch2chch2o+no
c6h9+no2=ch2chcho+ac3h5+no
no2+ho2=hono+o2
ch3o+no2=ch2o+hono

ch3ch2o+no2=ch3hco+hono
0 !This Study'
ch2chch2o+no2=ch2chcho+hono
c2coj+no2=acetone+hono
cccoj+no2=cccho+hono

Comments
KLEMM,ET AL
Marinov 1995a
Marinov 1995a
Marinov 1995a

Marinov 1995a

Marinov 1995a

Marinov 1995a

Marinov 1995a
Hippler 1995

Hippler 1995

Marinov 1995a
Tsang 1986x
Marinov 1995a
Marinov 1995a
Marinov 1995a

Marinov 1995a
Marinov 1995a

Marinov 1995a

Marinov 1995a

Marinov 1995a
Marinov 1995a
Marinov 1995a

Marinov 1995a

Marinov 1995a
Marinov 1995a
Marinov 1995a
Marinov 1995a
Marinov 1995a

Walter 1990

Tsang 1986
Miller 1992
Marinov 1995
Marinov 1995
Marinov 1995
Troe 1993
Marinov 1995

Marinov 1995
Klatt 1991
Marinov 1995
Tsang 1986

Tsang 1986
Atkinson 1992
Lightfoot 1991
This Study
Marinov 1998
Marinov 1998
Humpfer 1994
Marinov 1996
Humpfer 1994
Miller 1992
Markus 1992
Markus 1992

Fagerstrom 1993

Marinov 1998

Marinov 1998

Marinov 1998
Tsang 1987
Tsang 1987
Tsang 1987
Tsang 1987
Tsang 1987
Tsang 1987

GRI-Mech2.11

GRI-Mech2.11
Tsang 1986
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Wantuck 1987
Baulch 1992

Baulch 1992

Marinov 1996

Marinov 1996
Marinov 1996
Marinov 1996
Marinov 1998
Marinov 1998
Marinov 1998
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Marinov 1996
Marinov 1996
Marinov 1996
Marinov 1996
Marinov 1996
Miller 1992
Miller 1992
Miller 1992
Miller 1992

Miller 1992
Miller 1992
Miller 1992
Miller 1992

Miller 1992
Canosa-Mas85
Canosa-Mas85
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Tsang 1986
Miller 1992
Miller 1992
Miller 1992
Timonen 1988

Timonen 1987

Miller 1992
Miller 1992
Miller 1992
Miller 1992
Marinov 1996
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Baulch 1992
Marinov 1995
Warnatz 1984
Marinov 1998
Marinov 1995
Herron 1988
Marinov 1998
Tsang 1986
This Study
This Study
This Study
This Study
This Study
This Study
This Study

This Study
This Study
This Study
This Study
This Study
Atkinson 1986
This Study
This Study
Miller 1992
Baulch 1994
Baulch 1994
Marinov 1995
Dagaut 1990

Feng 1993

Marinov 1997

GRI-Mech2.11
Miller 1992
Miller 1992
Marinov 1997
Marinov 1997
cfm/nmm 1996
Miller 1992

Miller 1992
Miller 1992
Marinov 1996
Marinov 1996
Fahr 1991
Miller 1992
Miller 1992
Miller 1992
This Study
Miller 1992
Miller 1992
This Study
This Study
Marinov 1996
Marinov 1996
Miller 1992
Tsang 1986
Marinov 1997
Miller 1992

Knyazev 1995

Marinov 1998

Marinov 1998

Marinov 1998

Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Hartmann 1990
Marinov 1998

Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998

Marinov 1998

Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Taylor 1996
Taylor 1996
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Saito 1984
Saito 1984

Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1996
Marinov 1996
Baulch 1992
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998
Marinov 1998

Marinov 1995
Marinov 1996
Marinov 1995
Marinov 1995
Marinov 1995
Marinov 1995
Marinov 1995
Marinov 1995

Warnatz 1984
Marinov 1995
Marinov 1996
Marinov 1996
Miller 1992
Marinov 1996
Brown 1989

Miller 1992
Miller 1992
Miller 1992
Miller 1992
Opansky 1993
Miller 1992
Miller 1992
Peeters 1995
Peeters 1995
Marinov 1997
Marinov 1997
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Miller 1992
Miller 1992

Miller 1992

Tsang 1988
Marinov 1998
Marinov 1998
Tsang 1988
Tsang 1988
Cohen 1991
Cohen 1991
Cohen 1986
Cohen 1986
Tsang 1988
Tsang 1988
Tsang 1988
Tsang 1988
Tsang 1988
Tsang 1988
Tsang 1988
Tsang 1988
Tsang 1988
Tsang 1988

Bencsura 1992

Seakins 1993
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
Batt 1979
Batt 1979
Heicklen 1988
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study

This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study

This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
This Study
Tsang 1988
Tsang 1988
Hidaka 1992
Hidaka 1992
Marinov 1998
Marinov 1998
Tsang 1991
Atkinson 1986
This Study
This Study

This Study
This Study
Tsang 1991
Tsang 1991
Tsang 1991
This Study
Tsang 1991
Tsang 1991
Tsang 1991
Tsang 1991
This Study
Tsang 1991
Tsang 1991
Tsang 1991
Tsang 1991
Tsang 1991
Tsang 1991
Tsang 1991
This Study
Marinov 1996
Marinov 1996
Marinov 1996
Marinov 1996
Marinov 1996
This Study

This Study
This Study
This Study
This Study
This Study
This Study
This Study
Marinov 1996
Marinov 1996
Marinov 1996
Marinov 1996
Marinov 1996
Marinov 1996
Marinov 1996
Marinov 1996
Bozzelli 1993
Bozzelli 1993
Bozzelli 1993
Bozzelli 1993
Bozzelli 1993
This Study
This Study
This Study
Tsang 1991
This Study
This Study

This Study
Tsang 1991
Marinov 1996
Marinov 1996
Slagle 1992
Tsang 1991
Tsang 1991
This Study
This Study
Marinov 1996
Marinov 1996
Marinov 1996
Marinov 1996
Marinov 1996
Marinov 1996
Marinov 1996
Marinov 1996
Marinov 1996
Marinov 1996
Marinov 1996
Marinov 1997
Marinov 1996
Marinov 1997
Marinov 1997

Marinov 1997
Marinov 1997
Marinov 1996
Marinov 1997
Marinov 1997
Marinov 1997

Wagner 1972

Tsang 1992

Wagner 1972
Miller 1992
Pauwels 1995
Pauwels 1995
Miller 1992
Marinov 1997

Marinov 1996

Marinov 1996
Pauwels 1995
Pauwels 1995
Miller 1992
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11

GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11

GRI-Mech2.11
GRI-Mech2.11

GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11

GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11

GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2,11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11

GRI-Mech2.11
GRI-Mech2.11

GRI-Mech2.11

GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11

GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11

GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11

GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11

GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11

GRI-Mech2.11
GRI-Mech2.11
GRI-Mech2.11

Glaenzer 1972
This Study
Salter 1977
Ko 1991
Ballod 1980
This Study
This Study
This Study
This Study
Dean 1997
Dean 1997
Dean 1997
Dean 1997
Dean 1997
Dean 1997
Dean 1997
Dean 1997
Dean 1997
England 1975

Forster 1995

Tsang 1991
Lamb 1984
Johnston 1986
Atkinson 1989
Tsang 1991

Tsang 1991

Atkinson 1992
Atkinson 1992
This Study
This Study
This Study
This Study
This Study
This Study
This Study
Frost 1990
This Study
This Study
This Study

Jodkowski 1993
Tsang 1991
Yamada 1981

Atkinson 1992

Park 1983
Barnhard 1991
Slagle 1981
This Study
This Study
McCaulley 1985
This Study
This Study
This Study
This Study

#
# Species
#
oh
h2
h
h2o
o
o2
ho2
h2o2
ch3
c2h6
ch4
ch3o
ch2o
ch3o2
ch3ooh
ch2oh
ch2(s)
ch2
hcoh
ch
ch3oh
co
co2
hco
c2h4
c2h2
hcco
c2h3
h2ccch
c2h5
ac3h5
ch2co
c3h2
ch3ch2o
c2h5o2
ch3hco
ch2ch2ooh
c2h5ooh
hooc2h4o2
cqc*o
c2h4oh
hoc2h4o2
ch2hco
c2h
c3h6
hccoh
c2h2oh

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

Initial
Conc.
0.00E+00
1.00E-09
0
0.00E+00
0
1.00E-08
0
0
0.00E+00
0
0
0.00E+00
0.00E+00
0
1.00E-08
0
0.00E+00
0
0
0
0
0
0
0
0
0
0
0
0
0.00E+00
0
0
0
0
0
0
0
0.00E+00
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
No
No
No
No
No
No
No
No
No
No
No
No
No
No
No
No
No
No
No

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

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

chocho
c2h5oh
ch3choh
ic3h7
ch3co
hcooh
c2o
c3h8
nc3h7
c2coo
c2jcq
ccyc2o
c2cq
c2coj
acetone
ccqcoo
cc*ocq
cjcqcq
c*ccq
cccoo
cccho
ccjcq
cjccq
cyccco
ccoocq
ccqc*o
cqcc*o
ch2chch2o
cooccq
cqcjcq
cccq
cccoj
ac3h4
pc3h5
sc3h5
hoc3h6
hoc3h6o2
hoccqc
ch3chco
ch2chco
ch2chcho
hoc3h4o
chchcho
hoc3h4o3
hoccqcho
ac3h5o2
ac3h5o2h
c6h10
c6h9
pc3h4
n

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

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.00E+00
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
0.00E+00
0
0

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
Yes
Yes

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

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
n2
n2o
no2
nh
hno
nh2
nnh
cn
nco
hcn
hocn
hnco
h2cn
c
hcnn
hcno
nh3
ch3no2
c3h5no2
hno2
hono
hono2
no3
ch3ono
ch3no
ch3ono2
ar
END
#
#
#
#
#

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

0.00E+00
1.00E-09
1.00E-09
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.00E+00
0
0
0
0.00E+00

Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
No
No
No
No
No
No
No
No
Yes
Yes
Yes
Yes
No
No
No
No

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

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

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
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
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-05

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

2.50E-05 CAL

#
#Temperature (K) or Filename

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

800 yes
# 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.

No

Seconds

PicoSeconds
3.00E-03

Accuracy

0
X0

1.00E-06

X0

X0
0

#
# Database
# FileName
FREETHERM
#nox_therm_2.txt
# xxxx
#1994_thermo.dat
#ethanol_therm.txt
#thermo30.dat
# 1995_Burcat_data
END

Thermodynamic Description Spreadsheet


INPUT
FREE
F18:IG6:F20:F1:F10:F10:F9:NL:F15:F15:F15:F15:F15:NL:F15:F15:F15:F15:F15:NL:F15:F15:F15:F15
F18:IG26:F1:F10:F10:F14:NL:F15:F15:F15:F15:F15:NL:F15:F15:F15:F15:F15:NL:F15:F15:F15:F15
F18:IG26:F1:F10:F10:F10:NL:F15:F15:F15:F15:F15:NL:F15:F15:F15:F15:F15:NL:F15:F15:F15:F15
F18:IG6:F20:F1:F10:F10:F10:NL:F15:F15:F15:F15:F15:NL:F15:F15:F15:F15:F15:NL:F15:F15:F15:F15
F18:IG6:F20:F1:F10:F10:F10:NL:F15:F15:F15:F15:F15:NL:F15:F15:F15:F15:F15:NL:F15:F15:F15:F15
F18:IG26:F1:F10:F10:F10:NL:F15:F15:F15:F15:F15:NL:F15:F15:F15:F15:F15:NL:F15:F15:F15:F15

MAP
SP:LT:CT:HT:LA1:LA2:LA3:LA4:LA5:LA6:LA7:HA1:HA2:HA3:HA4:HA5:HA6:HA7:MW:CMW
SP:CMW: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:HT:CT:HA1:HA2:HA3:HA4:HA5:HA6:HA7:LA1:LA2:LA3:LA4:LA5:LA6:LA7
SP:CMW:PH:LT:HT:CT:HA1:HA2:HA3:HA4:HA5:HA6:HA7:LA1:LA2:LA3:LA4:LA5:LA6:LA7
SP:CMW: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

Database
Special Switches
NONE
U1234:UPPL:CHF:FLUFF:SET(CT=1000):SYN
U1234:CHF:FLUFF:SET(CT=1000):SYN
U1234:UPPL:CHF:UPC
U1234:CHF
U1234:FLUFF:CHF
U1234:CHF:FLUFF:SET(CT=1000)

Species
Reservation List

# Species
#
oh
h2
h
h2o
o
o2
ho2
h2o2
ch3
c2h6
ch4
ch3o
ch2o
ch3o2
ch3ooh
ch2oh
ch2(s)
ch2
hcoh
ch
ch3oh
co
co2
hco
c2h4
c2h2
hcco
c2h3
h2ccch
c2h5
ac3h5
ch2co
c3h2
ch3ch2o
c2h5o2
ch3hco
ch2ch2ooh
c2h5ooh
hooc2h4o2
cqc*o
c2h4oh
hoc2h4o2
ch2hco
c2h
c3h6
hccoh
c2h2oh
chocho

LOW TEMP.
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
150
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300

COMMON TEMP.
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000

HI TEMP.
5000
5000
5000
5000
5000
5000
5000
5000
5000
4000
5000
3000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
4000
5000
4000
5000
4000
5000
4000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
4000
5000
4000
5000
5000

Thermodynamic coeffic. (LOW then HIGH)


LA1
LA2
LA3
3.637266
3.298124
2.5
3.386842
2.946429
3.212936
2.979963
3.388754
2.430443
1.462539
0.778742
2.106204
1.652731
2.098649
4.965251
2.600678
3.323407
3.49624
-2.82157
3.200202
2.660115
3.262452
2.275725
2.89833
-0.86149
2.013562
5.047965
2.739259
4.7542
1.473749
2.276486
2.974971
3.166714
-0.2713
1.145093
2.505695
3.030531
0.176442
1.35688
5.062301
0.776158
3.588116
3.409062
2.737704
1.493307
3.899465
4.65203
1.881051

1.85E-04
8.25E-04
0
3.47E-03
-1.64E-03
1.13E-03
5.00E-03
6.57E-03
1.11E-02
1.55E-02
1.75E-02
7.22E-03
1.26E-02
1.58E-02
9.23E-04
1.28E-02
2.28E-03
2.20E-03
3.57E-02
2.07E-03
7.34E-03
1.51E-03
9.92E-03
6.20E-03
2.80E-02
1.52E-02
4.45E-03
7.03E-03
1.11E-02
1.64E-02
1.99E-02
1.21E-02
2.48E-02
2.99E-02
3.41E-02
1.34E-02
2.63E-02
4.29E-02
5.28E-02
2.45E-02
2.91E-02
2.99E-02
1.07E-02
8.05E-03
2.09E-02
9.70E-03
4.19E-03
2.36E-02

-1.68E-06
-8.14E-07
0
-6.35E-06
2.42E-06
-5.76E-07
-3.79E-06
-1.49E-07
-1.68E-05
5.78E-06
-2.78E-05
5.34E-06
-1.89E-05
7.57E-08
3.45E-05
-8.34E-06
-2.48E-07
-4.24E-07
-3.81E-05
-5.13E-06
7.17E-06
-3.88E-06
-1.04E-05
-9.62E-06
-3.39E-05
-1.62E-05
2.27E-07
2.37E-06
2.79E-07
-4.33E-06
1.12E-06
-2.35E-06
-4.59E-05
-1.97E-05
-2.63E-05
4.67E-06
5.57E-06
-3.45E-05
-4.91E-05
-1.66E-05
-2.14E-05
-2.35E-05
1.89E-06
-9.24E-06
4.49E-06
-3.12E-07
9.02E-06
-1.83E-05

c2h5oh
ch3choh
ic3h7
ch3co
hcooh
c2o
c3h8
nc3h7
c2coo
c2jcq
ccyc2o
c2cq
c2coj
acetone
ccqcoo
cc*ocq
cjcqcq
c*ccq
cccoo
cccho
ccjcq
cjccq
cyccco
ccoocq
ccqc*o
cqcc*o
ch2chch2o
cooccq
cqcjcq
cccq
cccoj
ac3h4
pc3h5
sc3h5
hoc3h6
hoc3h6o2
hoccqc
ch3chco
ch2chco
ch2chcho
hoc3h4o
chchcho
hoc3h4o3
hoccqcho
ac3h5o2
ac3h5o2h
c6h10
c6h9
pc3h4
n
no

300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300

1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000

5000
5000
5000
5000
4000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
4000
4000
4000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
5000
4000
5000
5000

4.858696
2.100268
0.586358
3.125278
0.932603
3.368851
0.896921
0.113367
1.499416
1.238916
-2.36943
0.508081
-0.10037
1.62176
2.653695
4.334991
2.462919
2.166892
2.130451
2.163084
2.242473
1.920471
-4.26711
2.653695
1.105072
3.208851
-2.09E-03
3.315249
3.701478
1.162134
0.289707
2.539831
3.161863
3.385811
1.204943
1.86103
1.494378
2.691873
0.78337
0.580468
3.093398
2.035835
5.704761
4.603824
2.372721
1.901034
-1.80014
-2.50698
3.02973
2.503071
3.376542

-3.74E-03
1.93E-02
3.21E-02
9.78E-03
1.89E-02
8.24E-03
2.67E-02
3.54E-02
4.43E-02
4.91E-02
4.75E-02
5.35E-02
4.31E-02
2.74E-02
5.74E-02
3.67E-02
6.15E-02
3.95E-02
3.95E-02
2.96E-02
3.93E-02
4.38E-02
4.97E-02
5.74E-02
5.27E-02
4.11E-02
3.58E-02
5.26E-02
5.14E-02
4.83E-02
3.93E-02
1.63E-02
1.52E-02
1.40E-02
3.31E-02
5.01E-02
5.65E-02
2.50E-02
2.90E-02
3.16E-02
3.11E-02
2.56E-02
3.23E-02
4.20E-02
3.33E-02
4.00E-02
6.71E-02
7.03E-02
1.50E-02
-2.18E-05
1.25E-03

6.96E-05
-5.17E-06
-1.70E-05
4.52E-06
-1.55E-05
-8.77E-06
5.43E-06
-2.28E-05
-3.22E-05
-3.91E-05
-3.78E-05
-4.13E-05
-3.11E-05
-9.03E-06
-4.71E-05
-2.10E-05
-5.24E-05
-2.69E-05
-2.47E-05
-1.52E-05
-2.21E-05
-3.05E-05
-3.74E-05
-4.71E-05
-4.32E-05
-2.62E-05
-2.68E-05
-3.96E-05
-3.63E-05
-3.29E-05
-2.48E-05
-1.76E-06
2.72E-06
3.20E-06
-1.64E-05
-3.98E-05
-4.72E-05
-1.62E-05
-2.29E-05
-2.28E-05
-1.97E-05
-1.82E-05
-1.95E-05
-2.93E-05
-1.92E-05
-2.42E-05
-4.84E-05
-5.64E-05
-1.40E-06
5.42E-08
-3.30E-06

n2
n2o
no2
nh
hno
nh2
nnh
cn
nco
hcn
hocn
hnco
h2cn
c
hcnn
hcno
nh3
ch3no2
c3h5no2
hno2
hono
hono2
no3
ch3ono
ch3no
ch3ono2
ar
END

300
300
300
300
300
300
250
300
300
300
300
300
300
300
300
250
300
300
300
300
300
300
300
300
300
300
300

1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000
1000

5000
5000
5000
5000
5000
5000
4000
5000
4000
4000
4000
4000
4000
5000
5000
4000
5000
5000
5000
4000
5000
4000
5000
4000
4000
4000
5000

3.298677
2.543058
2.6706
3.339758
2.784403
3.432493
3.501344
3.663204
3.359593
2.417787
3.789424
3.858467
2.851661
2.498585
2.524319
3.184859
2.204352
-0.37078
1.247225
1.934838
2.290413
0.787767
1.221076
1.490345
2.109955
0.780335
2.5

1.41E-03
9.49E-03
7.84E-03
1.25E-03
6.61E-03
3.30E-03
2.05E-03
-1.16E-03
5.39E-03
9.03E-03
5.39E-03
6.39E-03
5.70E-03
8.09E-05
1.60E-02
9.75E-03
1.01E-02
2.84E-02
4.70E-02
1.01E-02
1.41E-02
2.38E-02
1.88E-02
2.65E-02
1.52E-02
3.45E-02
0

-3.96E-06
-9.79E-06
-8.06E-06
-3.49E-06
-9.30E-06
-6.61E-06
7.17E-07
2.16E-06
-8.14E-07
-1.11E-05
-6.52E-07
-9.02E-07
1.07E-06
-2.70E-07
-1.88E-05
-1.28E-06
-1.47E-05
-2.08E-05
-3.48E-05
-4.96E-06
-1.37E-05
-2.21E-05
-1.34E-05
-2.11E-05
-7.07E-06
-2.82E-05
0

coeffic. (LOW then HIGH)


LA4
LA5
2.39E-09
-9.48E-11
0
6.97E-09
-1.60E-09
1.31E-09
2.35E-09
-4.63E-09
1.62E-08
-1.26E-08
3.05E-08
-7.38E-09
2.05E-08
-1.13E-08
-4.45E-08
2.76E-09
-1.02E-10
1.36E-11
1.86E-08
5.73E-09
-8.79E-09
5.58E-09
6.87E-09
1.09E-08
2.79E-08
9.08E-09
-1.48E-09
-3.60E-09
-5.48E-09
-1.17E-09
-1.01E-08
-6.47E-09
4.27E-08
6.37E-09
1.09E-08
-1.13E-08
-1.81E-08
1.41E-08
2.24E-08
6.25E-09
8.17E-09
1.13E-08
-7.16E-09
6.53E-09
-1.67E-08
-5.54E-09
-8.67E-09
6.85E-09

-8.43E-13
4.13E-13
0
-2.51E-12
3.89E-13
-8.77E-13
-8.09E-13
2.47E-12
-5.86E-12
4.59E-12
-1.22E-11
2.08E-12
-8.41E-12
5.67E-12
1.75E-11
-3.57E-13
2.49E-14
4.32E-15
-3.46E-12
-1.96E-12
2.39E-12
-2.47E-12
-2.12E-12
-4.57E-12
-9.74E-12
-1.91E-12
2.25E-13
8.92E-13
1.95E-12
5.72E-13
3.44E-12
3.91E-12
-1.48E-11
-7.78E-13
-1.87E-12
4.26E-12
5.83E-12
-2.30E-12
-3.98E-12
-9.93E-13
-1.26E-12
-2.29E-12
2.87E-12
-1.94E-12
7.16E-12
2.47E-12
2.18E-12
-9.93E-13

LA6
3606.782
-1012.52
25471.63
-30208.11
29147.64
-1005.25
176.2274
-17663.2
16423.78
-11239.18
-9825.23
978.6011
-14865.4
2069.588
-16727
-2334.79
50495.45
45919.28
11295.67
70452.59
-25353.5
-14310.5
-48373.1
4159.922
5573.046
26124.44
19658.92
34286.9
39888.83
13332.7
17894.97
-7632.64
63504.21
-3163.97
-3758.63
-21245.9
1586.268
-22362.8
-15283.6
-30193
-5468.08
-21740.9
1521.477
66838.13
1074.826
8701.19
15877.1
-26928

LA7
1.35886
-3.29409
-0.46012
2.590233
2.963995
6.034738
9.222724
6.785363
6.789794
14.43229
13.72219
13.15218
13.78482
15.00707
2.988028
11.32723
3.094015
2.949644
34.84878
3.331588
11.23263
4.848897
10.18849
8.983614
24.21149
8.805378
0.481844
10.15315
0.585455
16.63499
13.72515
8.673553
8.869446
24.7706
22.51065
13.35089
13.80353
25.61569
26.24214
6.379175
22.10602
14.21667
9.55829
7.30022
16.14534
4.491875
4.7809
17.29948

HA1
2.88273
2.991423
2.5
2.672146
2.54206
3.697578
4.072191
4.573167
2.844052
4.825938
1.683479
3.7708
2.995606
6.681296
6.160032
6.001278
3.096272
3.443105
9.187493
2.196223
4.029061
3.025078
4.453623
3.557271
3.528419
4.43677
6.758073
3.960477
8.831047
5.601161
9.651539
6.038817
7.670981
8.311824
10.11749
5.86865
22.20179
12.65553
16.93341
11.21698
8.755445
9.223399
5.97567
3.986367
6.732257
7.328324
6.228002
9.754386

HA2

HA3

HA4

HA5

HA6

1.01E-03
7.00E-04
0
3.06E-03
-2.76E-05
6.14E-04
2.13E-03
4.34E-03
6.14E-03
1.38E-02
1.02E-02
7.87E-03
6.68E-03
8.01E-03
1.02E-02
4.99E-03
2.81E-03
2.33E-03
1.52E-03
2.34E-03
9.38E-03
1.44E-03
3.14E-03
3.35E-03
1.15E-02
5.38E-03
2.00E-03
7.99E-03
4.36E-03
1.07E-02
8.08E-03
5.80E-03
2.75E-03
1.03E-02
1.14E-02
1.08E-02
1.63E-03
1.13E-02
9.49E-03
9.99E-03
9.49E-03
1.41E-02
8.13E-03
3.14E-03
1.49E-02
3.34E-03
7.49E-03
4.98E-03

-2.28E-07
-5.63E-08
0
-8.73E-07
-3.10E-09
-1.26E-07
-5.31E-07
-1.47E-06
-2.23E-06
-4.56E-06
-3.88E-06
-2.66E-06
-2.63E-06
-2.72E-06
-3.61E-06
-1.61E-06
-7.14E-07
-5.33E-07
-6.28E-07
-7.06E-07
-3.05E-06
-5.63E-07
-1.28E-06
-1.34E-06
-4.42E-06
-1.91E-06
-2.03E-07
-2.86E-06
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3886.888
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-29996.1
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56098.9
9817.961

4.801855
14.09093
22.66326
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19.50653
6.713314
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24.55208
21.54719
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34.5777
24.721
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6.562437
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15.09294
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14.92948
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2.450268
3.245435

1.52E-02
1.05E-02
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1.89E-02
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1.65E-02
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1.72E-02
1.58E-02
5.30E-03
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1.68E-02
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9.91E-03
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1.30E-02
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1.57E-02
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5.22E-03
1.07E-04
1.27E-03

-5.39E-06
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8.62E-10
5.36E-10
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1.79E-10
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1.21E-09
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1.88E-11
9.17E-11

-5.13E-14
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-6.37E-14
5.11E-14
-1.03E-15
-6.28E-15

-31525.62
-8622
5670.009
-5187.863
-50274.45
32820.55
-16464.55
7273.965
-13268.56
-7230.846
-16468.61
-32293.87
-12463.85
-31465.64
-25667.1
-43071.94
-19872.62
-13393.94
-10928.2
-27414.31
-6498.201
-5140.402
-14711.21
-25667.1
-41700.86
-40276.76
6702.428
-24336.31
-19737.94
-30202.66
-10152.9
19549.72
28539.67
26706.8
-12017
-31849.3
-49415
-14277.13
3208.58
-12745.62
-22101
14457.56
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-56117.26
5654.435
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1743.066
20034.09
18602.77
56116.04
9800.84

5.64E-09
6.26E-09
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4.22E-09
9.44E-09
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1.85E-10
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3.04E-10
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1.45E-08
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1.29E-08
8.70E-10
7.50E-09
1.03E-08
1.27E-09
9.41E-09
1.51E-09
1.23E-08
0

-2.44E-12
-1.90E-12
-2.32E-12
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-3.75E-12
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-9.67E-13
-8.21E-13
7.84E-13
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5.37E-13
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3.23E-12
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-2.32E-15
-1.88E-12
-1.97E-12
1.35E-12
-1.81E-12
-1.60E-13
-2.30E-12
0

-1020.9
8765.1
2896.291
41850.47
10918.78
21772.28
28333.47
51281.18
14628.09
15010.44
-3135.34
-15623.4
28637.82
85458.78
54261.98
17979.07
-6525.49
-9456.82
-2302.44
-8105.48
-10432
-16304.4
7473.144
-9125.78
8293.612
-14653.5
-745.375

3.950372
9.511222
11.61207
2.507181
9.035629
3.090111
6.391837
3.739016
6.549694
8.222891
6.667052
4.882493
8.992751
4.753459
11.67587
6.123844
8.127138
30.64592
22.59142
14.7325
13.28077
21.08964
18.40203
18.13766
15.69702
22.45752
4.366001

2.92664
4.718977
4.682859
2.760249
3.615144
2.961311
4.415342
3.72012
6.072346
3.426457
6.022112
6.545307
5.209703
2.602087
5.894636
6.692412
2.461904
7.506324
16.51019
6.47963
5.486893
9.756148
7.120307
11.36129
8.820547
14.36189
2.5

1.49E-03
2.87E-03
2.46E-03
1.38E-03
3.21E-03
2.93E-03
1.61E-03
1.52E-04
9.23E-04
3.92E-03
1.93E-03
1.97E-03
2.97E-03
-1.79E-04
3.99E-03
2.37E-03
6.06E-03
9.52E-03
1.21E-02
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4.22E-03
1.90E-03
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3.71E-03
4.11E-03
0

-5.68E-07
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1.99E-07
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9.09E-08
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-1.74E-07
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-3.24E-07
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-4.15E-07
-2.89E-07
-5.11E-07
0

1.01E-10
2.25E-10
1.98E-10
7.69E-11
2.27E-10
1.62E-10
-8.56E-11
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3.16E-10
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2.92E-10
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2.97E-10
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2.80E-10
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0

-6.75E-15
-1.58E-14
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-1.54E-14
-1.20E-14
1.61E-14
1.33E-15
9.09E-15
-2.43E-14
1.79E-14
1.87E-14
3.04E-14
3.31E-16
-2.01E-14
2.41E-14
-1.94E-14
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-4.08E-14
1.70E-14
-2.02E-14
1.10E-14
-2.01E-14
3.03E-14
3.24E-14
3.01E-14
0

-922.7977
8165.811
2261.292
42078.28
10661.91
21919.77
27880.29
51116.26
13598.2
14855.52
-4040.321
-16647.73
27677.11
85421.54
53452.94
16947.37
-6493.27
-12162.26
-7688.427
-9999.271
-11268.65
-19422.44
5864.479
-12814.82
5362.862
-19724.4
-745.375

HA7
5.595712
-1.35511
-0.460118
6.862817
4.920308
3.189166
3.476029
0.501137
5.452697
-5.239507
9.623395
2.929575
6.912572
-9.942385
-6.191154
-6.928368
4.313923
3.234847
-27.34342
9.178373
2.378196
6.108218
-0.955396
5.552299
2.230389
-2.800338
-9.071262
2.256634
-21.77919
-7.022524
-26.86774
-7.657581
-12.3689
-21.39856
-25.10299
-6.012946
-95.49364
-40.42002
-54.74932
-26.67854
-20.32719
-15.38474
-5.045251
1.191063
-13.31335
-14.01214
-6.130078
-24.80384

MW
17.00737
2.01594
1.00797
18.01534
15.9994
31.9988
33.00677
34.01474
15.03506
30.07012
16.04303
31.03446
30.02649
47.03386
48.04183
31.03446
14.02709
14.02709
30.02649
13.01912
32.04243
28.01055
44.00995
29.01852
28.05418
26.03824
41.02967
27.04621
39.05736
29.06215
41.0733
42.03764
38.04939
45.06155
61.06095
44.05358
61.06095
62.06892
93.05975
76.05238
45.06155
77.06035
43.04561
25.03027
42.08127
42.03764
43.04561
58.03704

Element Comp.(CMW)
o
h
h
h
o
o
h
h
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
h
c
c
h
c
c
c
c
c
h
c
c
c
c
c
c
c
c
c
o
c
c
h
c
c

1h
2
1
2o
1
2
1o
2o
1h
2h
1h
1h
1h
1h
1h
1h
1h
1h
1h
1h
1h
1o
1o
1c
2h
2h
1c
2h
3h
2h
3h
2h
2c
2h
2h
2o
2h
2h
2h
2h
2h
2h
1h
2h
3h
2c
2h
2h

2
2
3
6
4
3o
2o
3o
4o
3o
2
2
2o
1
4o
1
2
1o
4
2
2o
3
3
5
5
2o
3
5o
5o
1h
5o
6o
5o
4o
5o
5o
3c
1
6
2o
3o
2o

1
1
2 0
2 0
1
0 0
0 0
1 0
1

1
1
2
4
2
2
4
3
1
3
2

1
1
2

0
0
0
0
0
0
0

0
0

-9.47302
-19.04111
-27.84149
-3.274949
-18.72208
-0.645323
-17.8439
-26.01367
-41.59308
-48.43958
-35.97051
-53.5026
-36.22036
-28.80035
-66.51945
-50.02029
-75.69069
-41.88514
-37.25655
-28.53468
-46.05819
-47.20897
-33.22356
-66.51945
-60.26738
-52.95252
-24.93871
-61.94959
-67.76099
-52.2215
-32.75117
-30.77061
-22.3237
-21.50559
-19.50111
-46.68204
-51.1752
-24.2902
-24.29167
-28.29959
-27.65778
-28.24232
-35.67697
-47.98844
-39.28487
-53.53378
-61.95659
-63.61305
-30.20678
4.448758
6.417294

46.06952
45.06155
43.08924
43.04561
46.02589
40.0217
44.09721
43.08924
75.08804
75.08804
58.08067
76.09601
59.08864
58.08067
107.0868
90.07947
107.0868
74.08007
75.08804
58.08067
75.08804
75.08804
58.08067
107.0868
90.07947
90.07947
57.0727
107.0868
107.0868
76.09601
59.08864
40.06533
41.0733
41.0733
59.08864
91.08744
92.09541
56.06473
55.05676
56.06473
73.0721
55.05676
105.0709
106.0789
73.0721
74.08007
82.1466
81.13863
40.06533
14.0067
30.0061

c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
h
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
h
n
n

2h
2h
3h
2h
1h
2o
3h
3h
3h
3h
3h
3h
3h
3h
3h
3h
3h
3h
3h
3h
3h
3h
3h
3h
3h
3h
3h
3h
3h
3h
3h
4c
3h
3h
3h
3h
3h
3h
3h
3h
3h
3h
3h
3h
3h
3h
6h
6h
4c
1
1o

6o
5o
7
3o
2o
1
8
7
7o
7o
6o
8o
7o
6o
7o
6o
7o
6o
7o
6o
7o
7o
6o
7o
6o
6o
5o
7o
7o
8o
7o
3
5
5
7o
7o
8o
4o
3o
4o
5o
3o
5o
6o
5o
6o
10
9
3
1

1 0
1 0
0 0
1
2

0 0
2 0
2 0
1 0
2 0
1 0
1 0
4 0
3 0
4 0
2 0
2 0
1 0
2 0
2 0
1 0
4 0
3 0
3 0
1 0
4 0
4 0
2 0
1 0

1
3
3
1
1
1
2
1
4
4
2
2

0
0
0
0
0
0
0
0
0
0
0
0
0

5.980528
-1.65725
0.988599
5.857199
4.810264
5.777878
0.904289
2.888597
-8.507293
3.607795
-5.866433
-10.0388
-4.444478
4.195177
-5.10305
-12.45434
7.472097
-11.52518
-59.6706
-10.67286
-2.997002
-26.90023
-12.1373
-35.45435
-22.1322
-51.31842
4.366001

28.0134
44.0128
46.0055
15.01467
31.01407
16.02264
29.02137
26.01785
42.01725
27.02582
43.02522
43.02522
28.03379
12.01115
41.03252
43.02522
17.03061
61.04056
87.0788
47.01347
47.01347
63.01287
62.0049
61.04056
45.04116
77.03996
39.948

n
n
n
h
h
n
n
c
c
h
h
h
h
c
c
h
n
c
c
h
h
h
n
c
c
c
ar

2
2o
1o
1n
1n
1h
2h
1n
1n
1c
1c
1c
2c
1
1n
1c
1h
1h
3h
1n
1n
1n
1o
1h
1h
1h
1

1
2
1
1o
2
1
1
1o
1n
1n
1n
1n
2h
1n
3
3n
5n
1o
1o
1o
3
3n
3n
3n

1
1
1o 1
1o 1
1
10 0
1o 1
1o 2
1o 2
2
2
3
1o 2
1o 1
1o 3

# Transport Worksheet
# Species
# Name
#

END

Geometry
Sphere / linear / non-linear
(0/1/2)

Leonard-Jones
Potential Well
Depth (e/kb) (K)

Leonard-Jones
Collision Diameter
sigma (angstrom)

Dipole Moment
1E-18 cm^(3/2) erg^(1/2)

Polarizability
alpha
Angstrom^3

Rotational Relax.
Collision Number
Z_rot at 298 K

Comments