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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!

Experimental_vs_FITTED_DATA_Plot
3500

3000

FIT(H2)
FIT(O2)
FIT(OH)
FIT(H2O)
FIT(HO2)
FIT(Temperature(K))
H2
O2
OH
H2O
HO2
Temperature(K)

Concentration

2500

2000

1500

1000

500

0
0.00E+00

5.00E-05

1.00E-04

1.50E-04

2.00E-04

Time(s)

2.50E-04

3.00E-04

3.50E-04

Time(s)
0.00E+00
4.92E-06
9.84E-06
1.48E-05
1.97E-05
2.46E-05
2.95E-05
3.45E-05
3.94E-05
4.43E-05
4.93E-05
5.42E-05
5.91E-05
6.40E-05
6.90E-05
7.39E-05
7.88E-05
8.37E-05
8.87E-05
9.36E-05
9.85E-05
1.03E-04
1.08E-04
1.13E-04
1.18E-04
1.23E-04
1.28E-04
1.33E-04
1.38E-04
1.43E-04
1.48E-04
1.53E-04
1.58E-04
1.63E-04
1.67E-04
1.72E-04
1.77E-04
1.82E-04
1.87E-04
1.92E-04
1.97E-04
2.02E-04
2.07E-04
2.12E-04
2.17E-04
2.22E-04
2.27E-04
2.31E-04
2.36E-04
2.41E-04

FIT(H2)
2.93E-06
9.96E-08
6.61E-08
5.18E-08
4.42E-08
3.98E-08
3.72E-08
3.57E-08
3.47E-08
3.41E-08
3.38E-08
3.35E-08
3.34E-08
3.33E-08
3.33E-08
3.32E-08
3.32E-08
3.32E-08
3.32E-08
3.32E-08
3.32E-08
3.32E-08
3.32E-08
3.32E-08
3.32E-08
3.32E-08
3.32E-08
3.32E-08
3.32E-08
3.32E-08
3.32E-08
3.32E-08
3.32E-08
3.32E-08
3.32E-08
3.32E-08
3.32E-08
3.32E-08
3.31E-08
3.31E-08
3.31E-08
3.31E-08
3.31E-08
3.31E-08
3.31E-08
3.31E-08
3.31E-08
3.31E-08
3.31E-08
3.31E-08

FIT(O2)
8.80E-06
5.41E-06
5.16E-06
5.07E-06
5.03E-06
5.01E-06
4.99E-06
4.99E-06
4.98E-06
4.98E-06
4.98E-06
4.98E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06

FIT(OH)
1.00E-92
5.70E-07
5.44E-07
5.13E-07
4.90E-07
4.74E-07
4.63E-07
4.56E-07
4.52E-07
4.49E-07
4.48E-07
4.46E-07
4.46E-07
4.45E-07
4.45E-07
4.45E-07
4.45E-07
4.45E-07
4.45E-07
4.45E-07
4.45E-07
4.45E-07
4.45E-07
4.45E-07
4.45E-07
4.45E-07
4.45E-07
4.45E-07
4.45E-07
4.45E-07
4.45E-07
4.45E-07
4.44E-07
4.44E-07
4.44E-07
4.44E-07
4.44E-07
4.44E-07
4.44E-07
4.44E-07
4.44E-07
4.44E-07
4.44E-07
4.44E-07
4.44E-07
4.44E-07
4.44E-07
4.44E-07
4.44E-07
4.44E-07

FIT(H2O)
1.00E-92
1.85E-06
1.81E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06

FIT(HO2)
1.00E-92
1.65E-09
1.25E-09
1.18E-09
1.18E-09
1.20E-09
1.21E-09
1.22E-09
1.23E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09

FIT(TemperH2
1.70E+03 2.9E-006
2.33E+03 9.8E-008
2.59E+03 6.6E-008
2.70E+03 5.3E-008
2.77E+03 4.6E-008
2.81E+03 4.2E-008
2.83E+03 4.0E-008
2.84E+03 3.9E-008
2.85E+03 3.8E-008
2.86E+03 3.7E-008
2.86E+03 3.7E-008
2.86E+03 3.7E-008
2.86E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008
2.87E+03 3.7E-008

O2
8.8E-006
5.3E-006
4.9E-006
4.8E-006
4.7E-006
4.7E-006
4.7E-006
4.7E-006
4.7E-006
4.7E-006
4.7E-006
4.7E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006

OH
0
5.5E-007
5.2E-007
4.9E-007
4.7E-007
4.6E-007
4.5E-007
4.5E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007

2.46E-04
2.51E-04
2.56E-04
2.61E-04
2.66E-04
2.71E-04
2.76E-04
2.81E-04
2.86E-04
2.91E-04
2.95E-04
3.00E-04

3.31E-08
3.31E-08
3.31E-08
3.31E-08
3.31E-08
3.31E-08
3.31E-08
3.31E-08
3.31E-08
3.31E-08
3.31E-08
3.31E-08

4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06
4.97E-06

4.44E-07
4.44E-07
4.44E-07
4.44E-07
4.44E-07
4.44E-07
4.44E-07
4.44E-07
4.44E-07
4.44E-07
4.44E-07
4.44E-07

1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06
1.80E-06

1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09
1.24E-09

2.87E+03
2.87E+03
2.87E+03
2.87E+03
2.87E+03
2.87E+03
2.87E+03
2.87E+03
2.87E+03
2.87E+03
2.87E+03
2.87E+03

3.7E-008
3.7E-008
3.7E-008
3.7E-008
3.7E-008
3.7E-008
3.7E-008
3.7E-008
3.7E-008
3.7E-008
3.7E-008
3.7E-008

4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006
4.6E-006

4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007
4.4E-007

H2O
0
1.8E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006

HO2
0
1.5E-009
1.1E-009
9.5E-010
9.0E-010
8.8E-010
8.7E-010
8.6E-010
8.6E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010

Temperature(K)
1700
2322.99
2560.34
2666.97
2725.09
2758.88
2779.06
2791.26
2798.69
2803.23
2806
2807.71
2808.75
2809.38
2809.77
2810.01
2810.15
2810.23
2810.28
2810.31
2810.32
2810.32
2810.32
2810.32
2810.31
2810.3
2810.3
2810.29
2810.28
2810.27
2810.26
2810.25
2810.24
2810.23
2810.23
2810.22
2810.21
2810.2
2810.19
2810.18
2810.17
2810.16
2810.15
2810.14
2810.14
2810.13
2810.12
2810.11
2810.1
2810.09

1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006
1.7E-006

8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010
8.5E-010

2810.08
2810.07
2810.06
2810.06
2810.05
2810.04
2810.03
2810.02
2810.01
2810
2809.99
2809.98

Experimental_vs_FITTED_DATA_Plot
3000

2500
FIT(H2)
FIT(O2)
FIT(OH)
FIT(H2O)
FIT(HO2)
FIT(Temperature(K))
H2
O2
OH
H2O
HO2
Temperature(K)

Concentration

2000

1500

1000

500

0
0.00E+00

5.00E-05

1.00E-04

1.50E-04

2.00E-04

Time(s)

2.50E-04

3.00E-04

3.50E-04

Time(s)
0.00E+00
4.92E-06
9.86E-06
1.48E-05
1.97E-05
2.46E-05
2.96E-05
3.45E-05
3.94E-05
4.43E-05
4.93E-05
5.42E-05
5.91E-05
6.40E-05
6.90E-05
7.39E-05
7.88E-05
8.38E-05
8.87E-05
9.36E-05
9.86E-05
1.03E-04
1.08E-04
1.13E-04
1.18E-04
1.23E-04
1.28E-04
1.33E-04
1.38E-04
1.43E-04
1.48E-04
1.53E-04
1.58E-04
1.63E-04
1.68E-04
1.72E-04
1.77E-04
1.82E-04
1.87E-04
1.92E-04
1.97E-04
2.02E-04
2.07E-04
2.12E-04
2.17E-04
2.22E-04
2.27E-04
2.32E-04
2.37E-04
2.41E-04

FIT(H2)
2.93E-06
1.12E-07
6.65E-08
4.94E-08
4.03E-08
3.47E-08
3.11E-08
2.87E-08
2.71E-08
2.59E-08
2.51E-08
2.46E-08
2.42E-08
2.39E-08
2.37E-08
2.36E-08
2.35E-08
2.34E-08
2.33E-08
2.33E-08
2.33E-08
2.33E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08

FIT(O2)
8.80E-06
5.40E-06
4.98E-06
4.87E-06
4.81E-06
4.78E-06
4.76E-06
4.75E-06
4.74E-06
4.74E-06
4.73E-06
4.73E-06
4.73E-06
4.73E-06
4.73E-06
4.73E-06
4.73E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06

FIT(OH)
1.00E-92
4.67E-07
4.70E-07
4.44E-07
4.20E-07
4.01E-07
3.86E-07
3.76E-07
3.68E-07
3.62E-07
3.58E-07
3.55E-07
3.53E-07
3.51E-07
3.50E-07
3.49E-07
3.48E-07
3.48E-07
3.48E-07
3.48E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07

FIT(H2O)
1.00E-92
1.84E-06
1.76E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06

FIT(HO2)
1.00E-92
2.04E-09
1.26E-09
1.07E-09
1.01E-09
9.94E-10
9.92E-10
9.96E-10
1.00E-09
1.01E-09
1.01E-09
1.01E-09
1.01E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09

FIT(TemperH2
1.50E+03 2.9E-006
2.06E+03 1.1E-007
2.40E+03 6.6E-008
2.54E+03 5.0E-008
2.62E+03 4.1E-008
2.67E+03 3.6E-008
2.71E+03 3.3E-008
2.73E+03 3.1E-008
2.75E+03 3.0E-008
2.76E+03 2.9E-008
2.77E+03 2.8E-008
2.77E+03 2.8E-008
2.78E+03 2.7E-008
2.78E+03 2.7E-008
2.78E+03 2.7E-008
2.78E+03 2.7E-008
2.78E+03 2.7E-008
2.78E+03 2.6E-008
2.78E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008
2.79E+03 2.6E-008

O2
8.8E-006
5.2E-006
4.7E-006
4.5E-006
4.4E-006
4.4E-006
4.4E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006

OH
0
4.5E-007
4.4E-007
4.2E-007
4.0E-007
3.8E-007
3.7E-007
3.6E-007
3.6E-007
3.5E-007
3.5E-007
3.5E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007

2.46E-04
2.51E-04
2.56E-04
2.61E-04
2.66E-04
2.71E-04
2.76E-04
2.81E-04
2.86E-04
2.91E-04
2.96E-04
3.00E-04

2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08
2.32E-08

4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06
4.72E-06

3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07
3.47E-07

1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06
1.74E-06

1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09
1.02E-09

2.79E+03
2.79E+03
2.79E+03
2.79E+03
2.79E+03
2.79E+03
2.79E+03
2.79E+03
2.79E+03
2.79E+03
2.79E+03
2.79E+03

2.6E-008
2.6E-008
2.6E-008
2.6E-008
2.6E-008
2.6E-008
2.6E-008
2.6E-008
2.6E-008
2.6E-008
2.6E-008
2.6E-008

4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006
4.3E-006

3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007
3.4E-007

H2O
0
1.8E-006
1.7E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006

HO2
0
1.9E-009
1.1E-009
8.8E-010
7.8E-010
7.3E-010
7.0E-010
6.8E-010
6.7E-010
6.7E-010
6.6E-010
6.6E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010

Temperature(K)
1500
2047.87
2373.87
2506.14
2580.4
2626.92
2657.66
2678.64
2693.15
2703.33
2710.51
2715.6
2719.22
2721.79
2723.62
2724.93
2725.87
2726.53
2727.01
2727.35
2727.59
2727.76
2727.88
2727.97
2728.03
2728.07
2728.1
2728.12
2728.13
2728.14
2728.14
2728.14
2728.14
2728.14
2728.14
2728.14
2728.13
2728.13
2728.12
2728.12
2728.12
2728.11
2728.11
2728.1
2728.1
2728.09
2728.09
2728.08
2728.08
2728.07

1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006
1.6E-006

6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010
6.5E-010

2728.07
2728.06
2728.06
2728.05
2728.05
2728.04
2728.04
2728.04
2728.03
2728.03
2728.02
2728.02

Experimental_vs_FITTED_DATA_Plot
3000

2500
FIT(H2)
FIT(O2)
FIT(OH)
FIT(H2O)
FIT(HO2)
FIT(Temperature(K))
H2
O2
OH
H2O
HO2
Temperature(K)

Concentration

2000

1500

1000

500

0
0.00E+00

5.00E-05

1.00E-04

1.50E-04

2.00E-04

Time(s)

2.50E-04

3.00E-04

3.50E-04

Time(s)
0.00E+00
4.97E-06
1.02E-05
1.51E-05
2.00E-05
2.50E-05
3.00E-05
3.50E-05
4.00E-05
4.49E-05
4.99E-05
5.49E-05
5.98E-05
6.47E-05
6.97E-05
7.46E-05
7.96E-05
8.45E-05
8.94E-05
9.44E-05
9.93E-05
1.04E-04
1.09E-04
1.14E-04
1.19E-04
1.24E-04
1.29E-04
1.34E-04
1.39E-04
1.44E-04
1.49E-04
1.54E-04
1.59E-04
1.64E-04
1.69E-04
1.73E-04
1.78E-04
1.83E-04
1.88E-04
1.93E-04
1.98E-04
2.03E-04
2.08E-04
2.13E-04
2.18E-04
2.23E-04
2.28E-04
2.33E-04
2.38E-04
2.43E-04

FIT(H2)
2.93E-06
2.93E-06
2.93E-06
2.93E-06
2.93E-06
2.93E-06
2.93E-06
2.93E-06
2.93E-06
2.91E-06
2.80E-06
2.03E-06
7.51E-08
4.83E-08
3.63E-08
2.92E-08
2.45E-08
2.12E-08
1.86E-08
1.67E-08
1.52E-08
1.39E-08
1.29E-08
1.21E-08
1.14E-08
1.08E-08
1.03E-08
9.83E-09
9.45E-09
9.12E-09
8.84E-09
8.60E-09
8.39E-09
8.20E-09
8.03E-09
7.89E-09
7.76E-09
7.65E-09
7.55E-09
7.47E-09
7.39E-09
7.32E-09
7.26E-09
7.21E-09
7.16E-09
7.12E-09
7.08E-09
7.04E-09
7.01E-09
6.99E-09

FIT(O2)
8.80E-06
8.80E-06
8.80E-06
8.80E-06
8.80E-06
8.80E-06
8.80E-06
8.80E-06
8.79E-06
8.76E-06
8.58E-06
7.43E-06
4.50E-06
4.24E-06
4.15E-06
4.11E-06
4.08E-06
4.06E-06
4.05E-06
4.04E-06
4.03E-06
4.02E-06
4.02E-06
4.01E-06
4.01E-06
4.01E-06
4.00E-06
4.00E-06
4.00E-06
4.00E-06
4.00E-06
4.00E-06
3.99E-06
3.99E-06
3.99E-06
3.99E-06
3.99E-06
3.99E-06
3.99E-06
3.99E-06
3.99E-06
3.99E-06
3.99E-06
3.99E-06
3.99E-06
3.99E-06
3.99E-06
3.99E-06
3.99E-06
3.99E-06

FIT(OH)
1.00E-92
3.04E-14
1.13E-13
3.62E-13
1.14E-12
3.58E-12
1.14E-11
3.89E-11
1.52E-10
7.68E-10
4.92E-09
4.59E-08
2.71E-07
2.81E-07
2.70E-07
2.57E-07
2.44E-07
2.33E-07
2.23E-07
2.14E-07
2.07E-07
2.00E-07
1.94E-07
1.89E-07
1.85E-07
1.80E-07
1.77E-07
1.74E-07
1.71E-07
1.68E-07
1.66E-07
1.64E-07
1.62E-07
1.61E-07
1.59E-07
1.58E-07
1.57E-07
1.56E-07
1.55E-07
1.54E-07
1.54E-07
1.53E-07
1.53E-07
1.52E-07
1.52E-07
1.51E-07
1.51E-07
1.51E-07
1.50E-07
1.50E-07

FIT(H2O)
1.00E-92
3.47E-13
1.83E-12
6.56E-12
2.15E-11
6.88E-11
2.19E-10
7.20E-10
2.55E-09
1.08E-08
6.09E-08
4.46E-07
1.59E-06
1.54E-06
1.53E-06
1.52E-06
1.52E-06
1.52E-06
1.52E-06
1.52E-06
1.52E-06
1.52E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06

FIT(HO2)
1.00E-92
1.30E-13
8.55E-13
3.30E-12
1.11E-11
3.57E-11
1.12E-10
3.49E-10
1.04E-09
2.58E-09
3.73E-09
3.42E-09
1.65E-09
1.11E-09
8.99E-10
7.82E-10
7.07E-10
6.56E-10
6.19E-10
5.93E-10
5.73E-10
5.58E-10
5.47E-10
5.39E-10
5.32E-10
5.27E-10
5.23E-10
5.20E-10
5.18E-10
5.16E-10
5.15E-10
5.14E-10
5.13E-10
5.13E-10
5.12E-10
5.12E-10
5.12E-10
5.11E-10
5.11E-10
5.11E-10
5.11E-10
5.11E-10
5.11E-10
5.11E-10
5.11E-10
5.11E-10
5.11E-10
5.11E-10
5.11E-10
5.11E-10

FIT(TemperH2
1.00E+03 2.9E-006
1.00E+03 2.9E-006
1.00E+03 2.9E-006
1.00E+03 2.9E-006
1.00E+03 2.9E-006
1.00E+03 2.9E-006
1.00E+03 2.9E-006
1.00E+03 2.9E-006
1.00E+03 2.9E-006
1.00E+03 2.9E-006
1.02E+03 2.8E-006
1.16E+03 2.1E-006
1.85E+03 7.3E-008
2.09E+03 4.7E-008
2.21E+03 3.7E-008
2.28E+03 3.0E-008
2.33E+03 2.6E-008
2.36E+03 2.3E-008
2.39E+03 2.0E-008
2.41E+03 1.9E-008
2.43E+03 1.7E-008
2.45E+03 1.6E-008
2.46E+03 1.5E-008
2.47E+03 1.4E-008
2.48E+03 1.4E-008
2.49E+03 1.3E-008
2.49E+03 1.2E-008
2.50E+03 1.2E-008
2.50E+03 1.2E-008
2.51E+03 1.1E-008
2.51E+03 1.1E-008
2.51E+03 1.1E-008
2.52E+03 1.1E-008
2.52E+03 1.0E-008
2.52E+03 1.0E-008
2.52E+03 1.0E-008
2.53E+03 9.8E-009
2.53E+03 9.7E-009
2.53E+03 9.6E-009
2.53E+03 9.5E-009
2.53E+03 9.4E-009
2.53E+03 9.3E-009
2.53E+03 9.2E-009
2.53E+03 9.2E-009
2.53E+03 9.1E-009
2.54E+03 9.1E-009
2.54E+03 9.0E-009
2.54E+03 9.0E-009
2.54E+03 8.9E-009
2.54E+03 8.9E-009

O2
8.8E-006
8.8E-006
8.8E-006
8.8E-006
8.8E-006
8.8E-006
8.8E-006
8.8E-006
8.8E-006
8.8E-006
8.6E-006
7.4E-006
4.1E-006
3.7E-006
3.6E-006
3.5E-006
3.5E-006
3.4E-006
3.4E-006
3.4E-006
3.4E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006

OH
0
3.09E-14
1.15E-13
3.67E-13
1.15E-12
3.62E-12
1.16E-11
3.9E-011
1.5E-010
7.7E-010
4.9E-009
4.3E-008
2.4E-007
2.5E-007
2.4E-007
2.3E-007
2.2E-007
2.1E-007
2.0E-007
2.0E-007
1.9E-007
1.9E-007
1.8E-007
1.8E-007
1.7E-007
1.7E-007
1.7E-007
1.7E-007
1.6E-007
1.6E-007
1.6E-007
1.6E-007
1.6E-007
1.6E-007
1.6E-007
1.5E-007
1.5E-007
1.5E-007
1.5E-007
1.5E-007
1.5E-007
1.5E-007
1.5E-007
1.5E-007
1.5E-007
1.5E-007
1.5E-007
1.5E-007
1.5E-007
1.5E-007

2.47E-04
2.52E-04
2.57E-04
2.62E-04
2.67E-04
2.72E-04
2.77E-04
2.82E-04
2.87E-04
2.92E-04
2.97E-04
3.00E-04

6.96E-09
6.94E-09
6.92E-09
6.91E-09
6.89E-09
6.88E-09
6.87E-09
6.86E-09
6.85E-09
6.84E-09
6.83E-09
6.83E-09

3.99E-06
3.99E-06
3.99E-06
3.99E-06
3.99E-06
3.99E-06
3.99E-06
3.99E-06
3.99E-06
3.99E-06
3.99E-06
3.99E-06

1.50E-07
1.50E-07
1.49E-07
1.49E-07
1.49E-07
1.49E-07
1.49E-07
1.49E-07
1.49E-07
1.49E-07
1.49E-07
1.49E-07

1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06
1.53E-06

5.11E-10
5.11E-10
5.11E-10
5.11E-10
5.11E-10
5.11E-10
5.11E-10
5.11E-10
5.11E-10
5.11E-10
5.11E-10
5.11E-10

2.54E+03
2.54E+03
2.54E+03
2.54E+03
2.54E+03
2.54E+03
2.54E+03
2.54E+03
2.54E+03
2.54E+03
2.54E+03
2.54E+03

8.9E-009
8.8E-009
8.8E-009
8.8E-009
8.8E-009
8.8E-009
8.7E-009
8.7E-009
8.7E-009
8.7E-009
8.7E-009
8.7E-009

3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.3E-006
3.2E-006
3.2E-006

1.5E-007
1.5E-007
1.5E-007
1.5E-007
1.5E-007
1.5E-007
1.5E-007
1.5E-007
1.5E-007
1.5E-007
1.5E-007
1.5E-007

H2O
0
3.47E-13
1.82E-12
6.54E-12
2.14E-11
6.84E-11
2.2E-010
7.1E-010
2.5E-009
1.1E-008
5.9E-008
4.2E-007
1.5E-006
1.4E-006
1.3E-006
1.3E-006
1.3E-006
1.3E-006
1.3E-006
1.3E-006
1.3E-006
1.3E-006
1.3E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006

HO2
0
1.30E-13
8.54E-13
3.29E-12
1.11E-11
3.56E-11
1.1E-010
3.5E-010
1.0E-009
2.6E-009
3.7E-009
3.4E-009
1.5E-009
9.2E-010
7.2E-010
6.0E-010
5.3E-010
4.8E-010
4.4E-010
4.1E-010
3.9E-010
3.7E-010
3.5E-010
3.4E-010
3.3E-010
3.2E-010
3.1E-010
3.0E-010
3.0E-010
2.9E-010
2.9E-010
2.9E-010
2.8E-010
2.8E-010
2.8E-010
2.8E-010
2.7E-010
2.7E-010
2.7E-010
2.7E-010
2.7E-010
2.7E-010
2.7E-010
2.7E-010
2.6E-010
2.6E-010
2.6E-010
2.6E-010
2.6E-010
2.6E-010

Temperature(K)
1000
1000
1000
1000
1000.01
1000.02
1000.07
1000.23
1000.85
1003.77
1022.26
1156.94
1798.6
2032.23
2144.26
2214.38
2263.17
2299.48
2327.83
2350.34
2368.68
2383.91
2396.75
2407.69
2417.11
2425.19
2432.25
2438.43
2443.86
2448.64
2452.84
2456.58
2459.89
2462.85
2465.48
2467.82
2469.92
2471.81
2473.5
2475.02
2476.39
2477.61
2478.72
2479.71
2480.6
2481.41
2482.13
2482.79
2483.38
2483.92

1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006
1.2E-006

2.6E-010
2.6E-010
2.6E-010
2.6E-010
2.6E-010
2.6E-010
2.6E-010
2.6E-010
2.6E-010
2.6E-010
2.6E-010
2.6E-010

2484.4
2484.84
2485.24
2485.59
2485.92
2486.21
2486.48
2486.72
2486.93
2487.13
2487.31
2487.41

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

Once you click the


Kintecus will Run. T
Control-C (hold Ctr
in the Kintecus Win

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\

Kintecus Switches
-INT:4 -THERM -FIT:1:3:fitdatan,initconditions.txt

I am using the German/Russian version of Excel =

James Ianni:
Once you click the RUN button below,
Kintecus will Run. To stop Kintecus, type a
Control-C (hold Ctrl key, press the C key)
in the Kintecus Window to halt Kintecus.

This multidata fit examples shows how to regre


experimental datasets against a model. In this
activations (Ea) for a reaction set. This examp
different initial conditions (like temperature, init
concentrations). See the "O_initconditions.txt"
setting initial conditions for each dataset.
Remember, for multi-dataset fitting the files o
(where x=1..n) must be present. See the works
"O_fitdata1.txt", "O_fitdata2.txt", "O_fitdata3.tx
n=3 (three experimental datasets to regress at
NB: A worksheet with a prefixed "O_xxxxx" m
worksheet as a tab delimited file named "xxxxx

ow to regress or fit several


del. In this case, energy of
This example utilizes
erature, initial
ditions.txt" worksheet on
aset.
g the files of fitdatax.txt
e the worksheets named
_fitdata3.txt" for this case of
regress at once)
O_xxxxx" means output this
med "xxxxx".

Model Description SpreadSheet

#
#A
#1.7E13

T^m
1.70E+13

#1.17e9
1.17E+09
4.00E+14
#50600
5.06E+04
3.61E+17
7.50E+12
1.40E+14
1.40E+13
6.00E+08
1.00E+18
9.20E+16
6.00E+19
1.60E+22
6.20E+16
1.89E+13
1.25E+13
2.00E+12
1.30E+17
1.60E+12
1.00E+13
1.40E+14
6.40E+09
4.00E+13
END

Ea
0
0 1e4?
1.3
1.3 1e3?
-0.5
2.67
2.67 1e4?
-0.72
0
0
0
1.3
-1
-0.6
-1.25
-2
-0.6
0
0
0
0
0
0
0
1
0

Reaction
47780 H2+O2=2OH
H2+O2=2OH
3626 OH+H2=H2O+H
OH+H2=H2O+H
0 O+OH=O2+H
6290 O+H2=OH+H
O+H2=OH+H
0 H+O2+M[H2(2.86);N2(1.26);H2O(18.6)]=HO2
0 OH+HO2=H2O+O2
1073 H+HO2=2OH
1073 O+HO2=O2+OH
0 2OH=O+H2O
0 2H+M[H2(0);H2O(0)]=H2
0 2H+H2=2H2
0 2H+H2O=H2+H2O
0 H+OH+M[H2O(5)]=H2O
0 H+O+M[H2O(5)]=OH
-1788 2O+M=O2+M
0 H+HO2=H2+O2
0 2HO2=H2O2+O2
45500 H2O2+M=2OH+M
3800 H2O2+H=HO2+H2
1800 H2O2+OH=H2O+HO2
75800 O+N2=NO+N
6280 N+O2=NO+O
0 OH+N=NO+H

Comments

D-L&W
D-L&W
JAM 1986
KLEMM,ET AL
KLEMM,ET AL
DIXON-LEWIS
D-L
D-L
D-L
COHEN-WEST.
D-L

D-L
D-L
NBS
D-L

#
# Species
#
H2
O2
OH
H2O
H
O
HO2
H2O2
N2
NO
N
#
Ar
END

Species Description Spreadsheet


Residence
Time in CSTR(s)
0
0
0
0
0
0
0
0
0
0
0
0

Initial
Conc.
2.93E-06
8.80E-06
0
0
0
0
0
0
2.93E-07
0
0
1.00E-05

Display Output
(Y/N) ?
Y
Y
Y
Y
Y
Y
Y
Y
Y
Y
Y
Y

External
Conc.
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

Constant File?
(Filename/#/No) Comments
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-06

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

1.00E-05 CAL

#
#Temperature (K) or Filename

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

1700 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

No

Seconds

PicoSeconds
3.00E-04

Accuracy

0
X0

1.00E-08

X0

X0
0

Time(s)
0.00E+00
4.97E-06
1.02E-05
1.51E-05
2.00E-05
2.50E-05
3.00E-05
3.50E-05
4.00E-05
4.49E-05
4.99E-05
5.49E-05
5.98E-05
6.47E-05
6.97E-05
7.46E-05
7.96E-05
8.45E-05
8.94E-05
9.44E-05
9.93E-05
1.04E-04
1.09E-04
1.14E-04
1.19E-04
1.24E-04
1.29E-04
1.34E-04
1.39E-04
1.44E-04
1.49E-04
1.54E-04
1.59E-04
1.64E-04
1.69E-04
1.73E-04
1.78E-04
1.83E-04
1.88E-04
1.93E-04
1.98E-04
2.03E-04
2.08E-04
2.13E-04
2.18E-04
2.23E-04
2.28E-04
2.33E-04
2.38E-04
2.43E-04

H2
2.93E-06
2.93E-06
2.93E-06
2.93E-06
2.93E-06
2.93E-06
2.93E-06
2.93E-06
2.93E-06
2.91E-06
2.80E-06
2.05E-06
7.32E-08
4.74E-08
3.65E-08
3.01E-08
2.58E-08
2.27E-08
2.04E-08
1.86E-08
1.72E-08
1.60E-08
1.50E-08
1.42E-08
1.35E-08
1.29E-08
1.24E-08
1.20E-08
1.16E-08
1.13E-08
1.10E-08
1.07E-08
1.05E-08
1.03E-08
1.01E-08
9.97E-09
9.83E-09
9.71E-09
9.59E-09
9.49E-09
9.40E-09
9.32E-09
9.25E-09
9.18E-09
9.12E-09
9.07E-09
9.02E-09
8.98E-09
8.94E-09
8.91E-09

O2
8.80E-06
8.80E-06
8.80E-06
8.80E-06
8.80E-06
8.80E-06
8.80E-06
8.80E-06
8.79E-06
8.76E-06
8.58E-06
7.42E-06
4.12E-06
3.73E-06
3.59E-06
3.51E-06
3.45E-06
3.42E-06
3.39E-06
3.37E-06
3.35E-06
3.34E-06
3.33E-06
3.32E-06
3.31E-06
3.30E-06
3.30E-06
3.29E-06
3.29E-06
3.28E-06
3.28E-06
3.27E-06
3.27E-06
3.27E-06
3.27E-06
3.27E-06
3.26E-06
3.26E-06
3.26E-06
3.26E-06
3.26E-06
3.26E-06
3.26E-06
3.26E-06
3.26E-06
3.25E-06
3.25E-06
3.25E-06
3.25E-06
3.25E-06

OH
0.00E+00
3.09E-14
1.15E-13
3.67E-13
1.15E-12
3.62E-12
1.16E-11
3.93E-11
1.52E-10
7.66E-10
4.87E-09
4.33E-08
2.39E-07
2.46E-07
2.37E-07
2.27E-07
2.18E-07
2.10E-07
2.03E-07
1.96E-07
1.91E-07
1.86E-07
1.82E-07
1.78E-07
1.75E-07
1.72E-07
1.69E-07
1.67E-07
1.65E-07
1.63E-07
1.61E-07
1.59E-07
1.58E-07
1.57E-07
1.56E-07
1.55E-07
1.54E-07
1.53E-07
1.52E-07
1.51E-07
1.51E-07
1.50E-07
1.50E-07
1.49E-07
1.49E-07
1.49E-07
1.48E-07
1.48E-07
1.48E-07
1.47E-07

H2O
0.00E+00
3.47E-13
1.82E-12
6.54E-12
2.14E-11
6.84E-11
2.17E-10
7.14E-10
2.52E-09
1.06E-08
5.94E-08
4.22E-07
1.45E-06
1.35E-06
1.31E-06
1.29E-06
1.28E-06
1.27E-06
1.26E-06
1.26E-06
1.26E-06
1.25E-06
1.25E-06
1.25E-06
1.25E-06
1.25E-06
1.25E-06
1.25E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06

HO2
0.00E+00
1.30E-13
8.54E-13
3.29E-12
1.11E-11
3.56E-11
1.11E-10
3.46E-10
1.03E-09
2.56E-09
3.72E-09
3.37E-09
1.45E-09
9.15E-10
7.17E-10
6.04E-10
5.31E-10
4.79E-10
4.40E-10
4.10E-10
3.86E-10
3.67E-10
3.52E-10
3.39E-10
3.28E-10
3.19E-10
3.11E-10
3.05E-10
2.99E-10
2.94E-10
2.90E-10
2.87E-10
2.83E-10
2.81E-10
2.78E-10
2.76E-10
2.74E-10
2.72E-10
2.71E-10
2.69E-10
2.68E-10
2.67E-10
2.66E-10
2.65E-10
2.64E-10
2.64E-10
2.63E-10
2.63E-10
2.62E-10
2.62E-10

Temperature(K)
1.00E+03
1.00E+03
1.00E+03
1.00E+03
1.00E+03
1.00E+03
1.00E+03
1.00E+03
1.00E+03
1.00E+03
1.02E+03
1.16E+03
1.80E+03
2.03E+03
2.14E+03
2.21E+03
2.26E+03
2.30E+03
2.33E+03
2.35E+03
2.37E+03
2.38E+03
2.40E+03
2.41E+03
2.42E+03
2.43E+03
2.43E+03
2.44E+03
2.44E+03
2.45E+03
2.45E+03
2.46E+03
2.46E+03
2.46E+03
2.47E+03
2.47E+03
2.47E+03
2.47E+03
2.47E+03
2.48E+03
2.48E+03
2.48E+03
2.48E+03
2.48E+03
2.48E+03
2.48E+03
2.48E+03
2.48E+03
2.48E+03
2.48E+03

2.47E-04
2.52E-04
2.57E-04
2.62E-04
2.67E-04
2.72E-04
2.77E-04
2.82E-04
2.87E-04
2.92E-04
2.97E-04
3.00E-04

8.88E-09
8.85E-09
8.82E-09
8.80E-09
8.78E-09
8.76E-09
8.74E-09
8.72E-09
8.71E-09
8.70E-09
8.69E-09
8.68E-09

3.25E-06
3.25E-06
3.25E-06
3.25E-06
3.25E-06
3.25E-06
3.25E-06
3.25E-06
3.25E-06
3.25E-06
3.25E-06
3.25E-06

1.47E-07
1.47E-07
1.47E-07
1.47E-07
1.47E-07
1.46E-07
1.46E-07
1.46E-07
1.46E-07
1.46E-07
1.46E-07
1.46E-07

1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06
1.24E-06

2.61E-10
2.61E-10
2.60E-10
2.60E-10
2.60E-10
2.60E-10
2.59E-10
2.59E-10
2.59E-10
2.59E-10
2.59E-10
2.59E-10

2.48E+03
2.48E+03
2.49E+03
2.49E+03
2.49E+03
2.49E+03
2.49E+03
2.49E+03
2.49E+03
2.49E+03
2.49E+03
2.49E+03

Time(s)
0.00E+00
4.92E-06
9.86E-06
1.48E-05
1.97E-05
2.46E-05
2.96E-05
3.45E-05
3.94E-05
4.43E-05
4.93E-05
5.42E-05
5.91E-05
6.40E-05
6.90E-05
7.39E-05
7.88E-05
8.38E-05
8.87E-05
9.36E-05
9.86E-05
1.03E-04
1.08E-04
1.13E-04
1.18E-04
1.23E-04
1.28E-04
1.33E-04
1.38E-04
1.43E-04
1.48E-04
1.53E-04
1.58E-04
1.63E-04
1.68E-04
1.72E-04
1.77E-04
1.82E-04
1.87E-04
1.92E-04
1.97E-04
2.02E-04
2.07E-04
2.12E-04
2.17E-04
2.22E-04
2.27E-04
2.32E-04
2.37E-04
2.41E-04

H2
2.93E-06
1.10E-07
6.55E-08
4.97E-08
4.14E-08
3.64E-08
3.33E-08
3.11E-08
2.97E-08
2.87E-08
2.80E-08
2.75E-08
2.72E-08
2.69E-08
2.67E-08
2.66E-08
2.65E-08
2.64E-08
2.64E-08
2.64E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08

O2
8.80E-06
5.24E-06
4.69E-06
4.52E-06
4.44E-06
4.39E-06
4.36E-06
4.34E-06
4.33E-06
4.32E-06
4.31E-06
4.31E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.30E-06

OH
0.00E+00
4.50E-07
4.44E-07
4.18E-07
3.98E-07
3.82E-07
3.71E-07
3.62E-07
3.56E-07
3.52E-07
3.49E-07
3.46E-07
3.45E-07
3.44E-07
3.43E-07
3.42E-07
3.42E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07

H2O
0.00E+00
1.78E-06
1.65E-06
1.61E-06
1.60E-06
1.59E-06
1.58E-06
1.58E-06
1.58E-06
1.58E-06
1.58E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06

HO2
0.00E+00
1.93E-09
1.10E-09
8.79E-10
7.81E-10
7.30E-10
7.01E-10
6.84E-10
6.72E-10
6.65E-10
6.60E-10
6.57E-10
6.54E-10
6.53E-10
6.51E-10
6.51E-10
6.50E-10
6.50E-10
6.49E-10
6.49E-10
6.49E-10
6.49E-10
6.49E-10
6.49E-10
6.49E-10
6.49E-10
6.49E-10
6.49E-10
6.49E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10

Temperature(K)
1.50E+03
2.05E+03
2.37E+03
2.51E+03
2.58E+03
2.63E+03
2.66E+03
2.68E+03
2.69E+03
2.70E+03
2.71E+03
2.72E+03
2.72E+03
2.72E+03
2.72E+03
2.72E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03

2.46E-04
2.51E-04
2.56E-04
2.61E-04
2.66E-04
2.71E-04
2.76E-04
2.81E-04
2.86E-04
2.91E-04
2.96E-04
3.00E-04

2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08
2.63E-08

4.30E-06
4.30E-06
4.30E-06
4.30E-06
4.29E-06
4.29E-06
4.29E-06
4.29E-06
4.29E-06
4.29E-06
4.29E-06
4.29E-06

3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07
3.41E-07

1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06
1.57E-06

6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10
6.48E-10

2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03
2.73E+03

Time(s)
0.00E+00
4.92E-06
9.84E-06
1.48E-05
1.97E-05
2.46E-05
2.95E-05
3.45E-05
3.94E-05
4.43E-05
4.93E-05
5.42E-05
5.91E-05
6.40E-05
6.90E-05
7.39E-05
7.88E-05
8.37E-05
8.87E-05
9.36E-05
9.85E-05
1.03E-04
1.08E-04
1.13E-04
1.18E-04
1.23E-04
1.28E-04
1.33E-04
1.38E-04
1.43E-04
1.48E-04
1.53E-04
1.58E-04
1.63E-04
1.67E-04
1.72E-04
1.77E-04
1.82E-04
1.87E-04
1.92E-04
1.97E-04
2.02E-04
2.07E-04
2.12E-04
2.17E-04
2.22E-04
2.27E-04
2.31E-04
2.36E-04
2.41E-04

H2
2.93E-06
9.81E-08
6.59E-08
5.28E-08
4.60E-08
4.22E-08
4.00E-08
3.87E-08
3.79E-08
3.74E-08
3.71E-08
3.69E-08
3.68E-08
3.67E-08
3.67E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08

O2
8.80E-06
5.26E-06
4.92E-06
4.79E-06
4.73E-06
4.70E-06
4.68E-06
4.67E-06
4.66E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06

OH
0.00E+00
5.52E-07
5.21E-07
4.92E-07
4.73E-07
4.60E-07
4.52E-07
4.46E-07
4.43E-07
4.41E-07
4.40E-07
4.39E-07
4.39E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07

H2O
0.00E+00
1.79E-06
1.72E-06
1.69E-06
1.68E-06
1.68E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06

HO2
Temperature(K)
0.00E+00
1.70E+03
1.54E-09
2.32E+03
1.08E-09
2.56E+03
9.50E-10
2.67E+03
9.00E-10
2.73E+03
8.77E-10
2.76E+03
8.66E-10
2.78E+03
8.59E-10
2.79E+03
8.56E-10
2.80E+03
8.54E-10
2.80E+03
8.53E-10
2.81E+03
8.52E-10
2.81E+03
8.51E-10
2.81E+03
8.51E-10
2.81E+03
8.51E-10
2.81E+03
8.51E-10
2.81E+03
8.51E-10
2.81E+03
8.51E-10
2.81E+03
8.51E-10
2.81E+03
8.51E-10
2.81E+03
8.51E-10
2.81E+03
8.51E-10
2.81E+03
8.51E-10
2.81E+03
8.51E-10
2.81E+03
8.51E-10
2.81E+03
8.51E-10
2.81E+03
8.51E-10
2.81E+03
8.50E-10
2.81E+03
8.50E-10
2.81E+03
8.50E-10
2.81E+03
8.50E-10
2.81E+03
8.50E-10
2.81E+03
8.50E-10
2.81E+03
8.50E-10
2.81E+03
8.50E-10
2.81E+03
8.50E-10
2.81E+03
8.50E-10
2.81E+03
8.50E-10
2.81E+03
8.50E-10
2.81E+03
8.50E-10
2.81E+03
8.50E-10
2.81E+03
8.50E-10
2.81E+03
8.50E-10
2.81E+03
8.50E-10
2.81E+03
8.50E-10
2.81E+03
8.50E-10
2.81E+03
8.50E-10
2.81E+03
8.50E-10
2.81E+03
8.50E-10
2.81E+03
8.50E-10
2.81E+03

2.46E-04
2.51E-04
2.56E-04
2.61E-04
2.66E-04
2.71E-04
2.76E-04
2.81E-04
2.86E-04
2.91E-04
2.95E-04
3.00E-04

3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08
3.66E-08

4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06
4.65E-06

4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07
4.38E-07

1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06
1.67E-06

8.50E-10
8.50E-10
8.50E-10
8.50E-10
8.50E-10
8.50E-10
8.50E-10
8.50E-10
8.50E-10
8.50E-10
8.50E-10
8.50E-10

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

#
# Database
# FileName
1995_NASA_data
#1994_thermo.dat
#1995_Burcat_data
#freetest.dat
END

Thermodynamic Description Spreadsheet


INPUT
F18:IG26:F1:F10:F10:F14:NL:F15:F15:F15:F15:F15:NL:F15:F15:F1
F18:IG26:F1:F10:F10:F10:NL:F15:F15:F15:F15:F15:NL:F15:F15:F1
F18:IG26:F1:F10:F10:F10:NL:F15:F15:F15:F15:F15:NL:F15:F15:F1
FREE

on Spreadsheet
MAP
SP:PH:LT:HT:MW:HA1:HA2:HA3:HA4:HA5:HA6:HA7:LA1:L
SP:PH:LT:HT:CT:HA1:HA2:HA3:HA4:HA5:HA6:HA7:LA1:LA
SP:PH:LT:HT:MW:HA1:HA2:HA3:HA4:HA5:HA6:HA7:LA1:L
SP:PH:LT:CT:HT:LA1:LA2:LA3:LA4:LA5:LA6:LA7:HA1:HA

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

Species
Reservation List

O2,O3,O

temp=1000
temp=1500
temp=1700

Note the initial conditions set in column A


temperature is set to 1,000K for fitdata1.txt
1,500K is set for the experimental dataset f
for the experimental dataset fitdata3.txt. Th
datasets are contained in the worksheets n
n=1 to 3.
You can set multiple conditions for each d
concentration). Simply separate each cond
";". If dataset fitdata2.txt had a different initi
species "N2" than what is set in the SPECI
you could overide that initial concentration.
1e-2 Molar, then Row 1 would read as
"temp=1000 ; N2=1e-2"

t in column A. In this case the


or fitdata1.txt experimental dataset.
ntal dataset fitdata2.txt and 1,700K
data3.txt. The experimental
worksheets named, "O_fitdatan.txt",

ns for each dataset (such as initial


te each condition by a semicolon,
different initial concentration on the
n the SPECIES worksheet, then
oncentration. You could set it to say,
read as

Time(s) E
S
ES
EIS
#
# fitdata worksheet contains your experimental or "fabricated" data
# for which Kintecus will fit your selected parameters to
# An 'N' or 'NaN' or 'None' in a cell represents NO data for that species at that time
# IMPORTANT NOTE!, the excel macros "latch" on column headings above
# so you should ONLY have the Time(s) and the name of each species in row 1
#
END

This is a "phoney" fitdata worksheet. It is prese


the Kintecus-Excel VBA code to run. Without this
the code will error out thinking you made a mista
have a fitdata worksheet when you are fitting da
Remember, for multi-dataset fitting the files of
(where x=..n) must be present. See the workshe
"O_fitdata1.txt", "O_fitdata2.txt", "O_fitdata3.txt"
A worksheet with a prefixed "O_xxxxx" means
worksheet as a tab delimited file named "xxxxx".

t. It is present to allow
Without this worksheet,
ade a mistake by not
e fitting data.
the files of fitdatax.txt
he worksheets named
itdata3.txt"
xx" means output this
ed "xxxxx".