ELEMENTS C H O END SPECIES 3CH2 C2H2 C2H3 C2H4 C2H5 C2H6 CH2CHO CH2CO CH2O CH3 CH3O CH4 CHO CO CO2 H H2 H2O H2O2 HCCO HO2 O O2 OH END REACTIONS KJOULES/MOLE OH + H2 <=> H2O + H 2.140E+08 1.520 14.430 OH + O <=> O2 + H 2.020E+14 -0.400 0.000 O + H2 <=> OH + H 5.060E+04 2.670 26.317 O2 + H (+M) <=> HO2 (+M) 4.520E+19 0.000 0.000 LOW / 1.050E+13 -1.200 0.000 / TROE / 0.5 1.E+30 1.E+30 1.E+30 / H2O / 0. / H2 / 0. / CH4 / 10. / CO2 / 3.8 / CO / 1.9 / O2 + H2 + H <=> HO2 + H2 4.520E+19 0.000 0.000 LOW / 1.520E+13 -1.100 0.000 / TROE / 0.5 1.E+30 1.E+30 1.E+30 / O2 + H2O + H <=> HO2 + H2O 4.520E+19 0.000 0.000 LOW / 2.100E+17 -2.400 0.000 / TROE / 0.5 1.E+30 1.E+30 1.E+30 / OH + HO2 <=> O2 + H2O 2.130E+28 -4.827 14.644 OH + HO2 <=> O2 + H2O 9.100E+14 0.000 45.873 HO2 + H <=> OH + OH 1.500E+14 0.000 4.184 HO2 + H <=> O2 + H2 8.450E+11 0.650 5.192 HO2 + H <=> O + H2O 3.010E+13 0.000 7.200 O + HO2 <=> OH + O2 3.250E+13 0.000 0.000 OH + OH <=> O + H2O 3.570E+04 2.400 -8.836 H + H +M <=> H2 +M 1.000E+18 -1.000 0.000 H2O / 0. / H2 / 0. / H2 + H + H <=> H2 + H2 9.200E+16 -0.600 0.000 H2O + H + H <=> H2O + H2 6.000E+19 -1.250 0.000 OH + H +M <=> H2O +M 2.210E+22 -2.000 0.000 H2O / 6.4 / O + H +M <=> OH +M 4.710E+18 -1.000 0.000 H2O / 6.4 / O + O +M <=> O2 +M 1.890E+13 0.000 -7.480 HO2 + HO2 <=> O2 + H2O2 4.200E+14 0.000 50.132 HO2 + HO2 <=> O2 + H2O2 1.300E+11 0.000 -6.815 OH + OH (+M) <=> H2O2 (+M) 1.240E+20 -0.370 0.000 LOW / 3.040E+24 -4.600 8.500 / TROE / 0.47 100. 2000. 2.1474836E+7 / H2O2 + H <=> HO2 + H2 1.980E+06 2.000 10.188 H2O2 + H <=> OH + H2O 3.070E+13 0.000 17.643 O + H2O2 <=> OH + HO2 9.550E+06 2.000 16.610 OH + H2O2 <=> HO2 + H2O 2.400E+00 4.042 -9.045 CH3 + CH3 (+M) <=> C2H6 (+M) 9.220E+22 -1.174 2.661 LOW / 1.140E+30 -5.200 7.100 / TROE / 0.4 1120. 69.6 2.1474836E+7 / H2O / 5. / H2 / 2. / CO2 / 3. / CO / 2. / H + CH3 (+M) <=> CH4 (+M) 2.140E+21 -0.400 0.000 LOW / 3.310E+24 -4.000 8.800 / TROE / 0. 0. 0. 40. / H2O / 5. / H2 / 2. / CO2 / 3. / CO / 2. / H + CH4 <=> H2 + CH3 2.200E+04 3.000 36.610 OH + CH4 <=> H2O + CH3 4.190E+06 2.000 10.656 O + CH4 <=> OH + CH3 6.920E+08 1.560 35.501 HO2 + CH4 <=> H2O2 + CH3 1.120E+13 0.000 103.093 HO2 + CH3 <=> OH + CH3O 7.000E+12 0.000 0.000 HO2 + CH3 <=> O2 + CH4 3.000E+12 0.000 0.000 O + CH3 <=> H + CH2O 8.000E+13 0.000 0.000 O2 + CH3 <=> O + CH3O 1.450E+13 0.000 122.210 O2 + CH3 <=> OH + CH2O 2.510E+11 0.000 61.253 H + CH3O <=> OH + CH3 1.000E+14 0.000 0.000 OH + CH3 <=> H2O + 3CH2 3.000E+06 2.000 10.460 OH + CH3 <=> H2 + CH2O 5.480E+13 0.000 12.472 OH + CH3 <=> H2 + CH2O 2.250E+13 0.000 17.991 H + CH3 <=> H2 + 3CH2 9.000E+13 0.000 63.178 CH3 +M <=> H + 3CH2 +M 1.960E+16 0.000 382.463 H + CH2O (+M) <=> CH3O (+M) 5.400E+17 0.454 10.878 LOW / 1.500E+24 -4.800 23.200 / TROE / 0.75 94. 1555. 4200. / H2O / 5. / H + CH3O <=> H2 + CH2O 2.000E+13 0.000 0.000 OH + CH3O <=> H2O + CH2O 1.000E+13 0.000 0.000 O + CH3O <=> OH + CH2O 1.000E+13 0.000 0.000 O2 + CH3O <=> HO2 + CH2O 6.300E+10 0.000 10.878 OH + CH2O <=> H2O + CHO 2.000E+13 0.000 0.000 H + CH2O <=> H + CH2O 2.000E+14 0.000 0.000 O + CH2O <=> H + H + CO2 5.000E+13 0.000 0.000 O + CH2O <=> OH + H + CO 3.000E+13 0.000 0.000 O2 + CH2O <=> OH + H + CO2 5.000E+12 0.000 0.000 O2 + CH2O <=> H2O + CO2 3.000E+13 0.000 0.000 OH + 3CH2 <=> H + CH2O 2.500E+13 0.000 0.000 CO2 + 3CH2 <=> CO + CH2O 1.100E+11 0.000 4.184 O + 3CH2 <=> H + H + CO 5.000E+13 0.000 0.000 O + 3CH2 <=> H2 + CO 3.000E+13 0.000 0.000 O2 + 3CH2 <=> O + CH2O 3.290E+21 -3.300 11.999 O2 + 3CH2 <=> H + H + CO2 3.290E+21 -3.300 11.999 O2 + 3CH2 <=> H2 + CO2 1.010E+21 -3.300 6.309 O2 + 3CH2 <=> H2O + CO 7.280E+19 -2.540 7.568 O2 + 3CH2 <=> OH + CHO 1.290E+20 -3.300 1.188 CH3 + 3CH2 <=> H + C2H4 4.000E+13 0.000 0.000 3CH2 + 3CH2 <=> H + H + C2H2 4.000E+13 0.000 0.000 HCCO + 3CH2 <=> CO + C2H3 3.000E+13 0.000 0.000 OH + CH2O <=> H2O + CHO 3.430E+09 1.180 -1.870 H + CH2O <=> H2 + CHO 2.190E+08 1.770 12.552 CH2O +M <=> H + CHO +M 3.310E+16 0.000 338.904 O + CH2O <=> OH + CHO 1.800E+13 0.000 12.886 O2 + CHO <=> HO2 + CO 7.580E+12 0.000 1.715 CHO +M <=> H + CO +M 1.860E+17 -1.000 71.128 H2O / 5. / H2 / 1.87 / CO2 / 3. / CO / 1.87 / CH4 / 2.81 / OH + CHO <=> H2O + CO 1.000E+14 0.000 0.000 H + CHO <=> H2 + CO 1.190E+13 0.250 0.000 O + CHO <=> OH + CO 3.000E+13 0.000 0.000 O + CHO <=> H + CO2 3.000E+13 0.000 0.000 OH + CO <=> H + CO2 9.420E+03 2.250 -9.836 O + CO +M <=> CO2 +M 6.170E+14 0.000 12.552 O2 + CO <=> O + CO2 2.530E+12 0.000 199.526 HO2 + CO <=> OH + CO2 5.800E+13 0.000 95.955 CH3 + C2H6 <=> CH4 + C2H5 5.500E-01 4.000 34.727 H + C2H6 <=> H2 + C2H5 5.400E+02 3.500 21.798 O + C2H6 <=> OH + C2H5 3.000E+07 2.000 21.401 OH + C2H6 <=> H2O + C2H5 7.230E+06 2.000 3.614 H + C2H5 <=> H2 + C2H4 1.250E+14 0.000 33.472 H + C2H5 <=> CH3 + CH3 3.000E+13 0.000 0.000 H + C2H5 <=> C2H6 7.000E+13 0.000 0.000 OH + C2H5 <=> H2O + C2H4 4.000E+13 0.000 0.000 O + C2H5 <=> CH3 + CH2O 1.000E+14 0.000 0.000 HO2 + C2H5 <=> OH + CH3 + CH2O 3.000E+13 0.000 0.000 O2 + C2H5 <=> HO2 + C2H4 3.000E+20 -2.860 28.283 O2 + C2H5 <=> HO2 + C2H4 2.120E-06 6.000 39.681 H + C2H4 <=> H2 + C2H3 3.360E-07 6.000 7.079 OH + C2H4 <=> H2O + C2H3 2.020E+13 0.000 24.836 O + C2H4 <=> CHO + CH3 1.020E+07 1.880 0.748 O + C2H4 <=> H + CH2CHO 3.390E+06 1.880 0.748 CH3 + C2H4 <=> CH4 + C2H3 6.620E+00 3.700 39.748 H + C2H4 (+M) <=> C2H5 (+M) 1.080E+18 0.454 7.623 LOW / 1.112E+28 -5.000 18.600 / TROE / 1. 0. 95. 200. / H2O / 5. / H2 / 2. / CO2 / 3. / CO / 2. / C2H4 (+M) <=> H2 + C2H2 (+M) 1.800E+19 0.000 317.984 LOW / 1.500E+09 0.000 231.900 / TROE / 0.5 1.E+30 1.E+30 1.E+30 / H + C2H3 (+M) <=> C2H4 (+M) 6.100E+18 0.270 1.171 LOW / 9.800E+23 -3.800 13.800 / TROE / 0.78 208. 2663. 6095. / H2O / 5. / H + C2H3 <=> H2 + C2H2 4.000E+13 0.000 0.000 O + C2H3 <=> H + CH2CO 3.000E+13 0.000 0.000 O2 + C2H3 <=> CHO + CH2O 1.700E+29 -5.312 27.196 O2 + C2H3 <=> O + CH2CHO 3.500E+14 -0.611 22.007 O2 + C2H3 <=> HO2 + C2H2 2.120E-06 6.000 39.681 OH + C2H3 <=> H2O + C2H2 2.000E+13 0.000 0.000 CH3 + C2H3 <=> CH4 + C2H2 2.000E+13 0.000 0.000 C2H3 + C2H3 <=> C2H4 + C2H2 1.450E+13 0.000 0.000 OH + C2H2 <=> H + CH2CO 2.180E-04 4.500 -4.184 OH + C2H2 <=> H + CH2CO 2.000E+11 0.000 0.000 OH + C2H2 <=> CO + CH3 4.830E-04 4.000 -8.368 O + C2H2 <=> CO + 3CH2 6.120E+06 2.000 7.949 O + C2H2 <=> HCCO + H 1.430E+07 2.000 7.949 O2 + C2H2 <=> OH + HCCO 4.000E+07 1.500 125.938 H + C2H2 (+M) <=> C2H3 (+M) 3.110E+17 0.580 10.832 LOW / 2.250E+34 -7.200 27.500 / TROE / 1. 0. 675. 2.1474836E+7 / H2O / 5. / H2 / 2. / CO2 / 3. / CO / 2. / H + CH2CHO <=> H2 + CH2CO 4.000E+13 0.000 0.000 O + CH2CHO <=> CHO + CH2O 1.000E+14 0.000 0.000 OH + CH2CHO <=> H2O + CH2CO 3.000E+13 0.000 0.000 O2 + CH2CHO <=> OH + CO + CH2O 3.000E+10 0.000 0.000 CH3 + CH2CHO => H + CO + C2H5 4.900E+14 -0.500 0.000 CH2CHO <=> H + CH2CO 3.950E+38 -7.649 188.761 O + CH2CO <=> CO2 + 3CH2 1.750E+12 0.000 5.648 H + CH2CO <=> CO + CH3 7.000E+12 0.000 12.598 H + CH2CO <=> HCCO + H2 2.000E+14 0.000 33.472 O + CH2CO <=> OH + HCCO 1.000E+13 0.000 33.472 OH + CH2CO <=> HCCO + H2O 1.000E+13 0.000 8.368 CO + 3CH2 (+M) <=> CH2CO (+M) 8.100E+17 0.500 18.869 LOW / 1.900E+27 -5.100 29.700 / TROE / 0.59 275. 1226. 5185. / H2O / 5. / O + HCCO <=> H + CO + CO 8.000E+13 0.000 0.000 O2 + HCCO <=> O + CO + CHO 2.500E+08 1.000 0.000 O2 + HCCO <=> CO2 + CHO 2.400E+11 0.000 -3.573 HCCO + HCCO <=> CO + CO + C2H2 1.000E+13 0.000 0.000 END