08724c9ac3
These are reactions with an additional set of Arrhenius parameters labeled 'HIGH' in the input file. They may also have a set of falloff function parameters.
38 lines
1.8 KiB
Text
38 lines
1.8 KiB
Text
elements
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c h n o ar
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!to modify
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end
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species
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ch3 oh ch2o h2 n2
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end
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thermo all
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300.000 1000.000 5000.000
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ch3 iu0702c 1 h 3 0 0 g 200.000 6000.00 1000.00 1
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0.29781206e+01 0.57978520e-02-0.19755800e-05 0.30729790e-09-0.17917416e-13 2
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0.16509513e+05 0.47224799e+01 0.36571797e+01 0.21265979e-02 0.54583883e-05 3
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-0.66181003e-08 0.24657074e-11 0.16422716e+05 0.16735354e+01 0.17643935e+05 4
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oh iu3/03o 1 h 1 0 0g 200.000 6000.00 1000.00 1
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2.83853033e+00 1.10741289e-03-2.94000209e-07 4.20698729e-11-2.42289890e-15 2
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3.69780808e+03 5.84494652e+00 3.99198424e+00-2.40106655e-03 4.61664033e-06 3
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-3.87916306e-09 1.36319502e-12 3.36889836e+03-1.03998477e-01 4.48613328e+03 4
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ch2o g 8/88h 2 c 1 o 1 0 g 200.000 6000.00 1000.00 1
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3.16952665e+00 6.19320560e-03-2.25056366e-06 3.65975660e-10-2.20149458e-14 2
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-1.44922756e+04 6.04207898e+00 4.79372312e+00-9.90833322e-03 3.73219990e-05 3
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-3.79285237e-08 1.31772641e-11-1.43227879e+04 6.02798058e-01-1.30729291e+04 4
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h2 tpis78h 2 0 0 0g 200.000 6000.00 1000.00 1
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2.93286575e+00 8.26608026e-04-1.46402364e-07 1.54100414e-11-6.88804800e-16 2
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-8.13065581e+02-1.02432865e+00 2.34433112e+00 7.98052075e-03-1.94781510e-05 3
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2.01572094e-08-7.37611761e-12-9.17935173e+02 6.83010238e-01 0.00000000e+00 4
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n2 g 8/02n 2 0 0 0g 200.000 6000.00 1000.00 1
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2.95257637e+00 1.39690040e-03-4.92631603e-07 7.86010195e-11-4.60755204e-15 2
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-9.23948688e+02 5.87188762e+00 3.53100528e+00-1.23660988e-04-5.02999433e-07 3
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2.43530612e-09-1.40881235e-12-1.04697628e+03 2.96747038e+00 0.00000000e+00 4
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end
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reactions
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ch3+oh(+m)<=>ch2o+h2(+m) 282320.078 1.46878 -3270.56495
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high / 5.88E-14 6.721 -3022.227 /
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troe / 1.671E+00 434.782 2934.21 3.919E+03 /
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end
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