ELEMENTS N H O C END SPECIES N2 H O2 OH O H2 H2O HO2 H2O2 CO CO2 HCO CH3 CH4 CH2O CH3O CH2OH CH3OH END REACTIONS CAL/MOLE H+O2 = OH+O 3.520000E+16 -7.000000E-01 1.706979E+04 H2+O = OH+H 5.060000E+04 2.670000E+00 6.290630E+03 H2+OH = H2O+H 1.170000E+09 1.300000E+00 3.635280E+03 H2O+O = 2OH 7.000000E+05 2.330000E+00 1.454828E+04 H+O2(+M) = HO2(+M) 4.650000E+12 4.400000E-01 0.000000E+00 AR /7.000000E-01/ HE /7.000000E-01/ H2 /2.500000E+00/ H2O /1.600000E+01/ CO /1.200000E+00/ CO2 /2.400000E+00/ C2H6 /1.500000E+00/ LOW /5.750000E+19 -1.400000E+00 0.000000E+00/ TROE /5.000000E-01 1.000000E-30 1.000000E+30/ H+OH+M = H2O+M 4.000000E+22 -2.000000E+00 0.000000E+00 AR /3.800000E-01/ HE /3.800000E-01/ H2 /2.500000E+00/ H2O /1.200000E+01/ CO /1.900000E+00/ CO2 /3.800000E+00/ HO2+H = 2OH 7.080000E+13 0.000000E+00 2.949300E+02 HO2+H => H2+O2 1.660000E+13 0.000000E+00 8.229000E+02 HO2+H = H2O+O 3.100000E+13 0.000000E+00 1.720840E+03 HO2+O => OH+O2 2.000000E+13 0.000000E+00 0.000000E+00 HO2+OH = H2O+O2 4.500000E+14 0.000000E+00 1.092973E+04 HO2+OH = H2O+O2 7.000000E+12 0.000000E+00 -1.092973E+03 !reaction 16 forward !2OH(+M) = H2O2(+M) 9.550000E+13 -2.700000E-01 0.000000E+00 ! LOW /2.760000E+25 -3.200000E+00 0.000000E+00/ ! reaction 16 backward H2O2(+M)=>2OH(+M) 4.4839e+21 -1.8787e+00 5.3021e+04 LOW /1.2210e+33 -4.8020e+00 5.3021e+04 / TROE /5.700000E-01 1.000000E+30 0.000000E+00/ AR /7.000000E-01/ HE /4.000000E-01/ H2 /2.500000E+00/ H2O /6.000000E+00/ H2O2 /6.000000E+00/ CO /1.500000E+00/ CO2 /2.000000E+00/ 2HO2 => H2O2+O2 1.940000E+11 0.000000E+00 -1.408940E+03 2HO2 => H2O2+O2 1.030000E+14 0.000000E+00 1.104207E+04 CO+OH = CO2+H 4.400000E+06 1.500000E+00 -7.409200E+02 HCO+M => CO+H+M 1.860000E+17 -1.000000E+00 1.700048E+04 H2 /1.900000E+00/ H2O /1.200000E+01/ CO /2.500000E+00/ CO2 /2.500000E+00/ HCO+H => CO+H2 5.000000E+13 0.000000E+00 0.000000E+00 HCO+OH => CO+H2O 3.000000E+13 0.000000E+00 0.000000E+00 HCO+O2 => CO+HO2 7.580000E+12 0.000000E+00 4.098900E+02 CH2O+H => HCO+H2 5.740000E+07 1.900000E+00 2.748570E+03 CH2O+O => HCO+OH 3.500000E+13 0.000000E+00 3.513380E+03 CH2O+OH => HCO+H2O 3.900000E+10 8.900000E-01 4.063100E+02 CH2O+HO2 => HCO+H2O2 4.110000E+04 2.500000E+00 1.021033E+04 CH4+H = H2+CH3 1.300000E+04 3.000000E+00 8.037760E+03 CH3+O => CH2O+H 8.430000E+13 0.000000E+00 0.000000E+00 H+CH3(+M) => CH4(+M) 1.270000E+16 -6.300000E-01 3.828900E+02 AR /7.000000E-01/ H2 /2.000000E+00/ H2O /6.000000E+00/ CO /1.500000E+00/ CO2 /2.000000E+00/ CH4 /2.000000E+00/ LOW /2.470000E+33 -4.760000E+00 2.440010E+03/ TROE /7.830000E-01 7.400000E+01 2.941000E+03 6.964000E+03/ CH3O+O2 => CH2O+HO2 4.280000E-13 7.600000E+00 -3.537280E+03 CH3O+M => CH2O+H+M 7.780000E+13 0.000000E+00 1.351338E+04 AR /7.000000E-01/ H2 /2.000000E+00/ H2O /6.000000E+00/ CO /1.500000E+00/ CO2 /2.000000E+00/ CH4 /2.000000E+00/ CH2OH+H => CH2O+H2 3.000000E+13 0.000000E+00 0.000000E+00 CH2OH+H = CH3+OH 2.500000E+17 -9.300000E-01 5.126910E+03 CH2OH+O2 => CH2O+HO2 5.000000E+12 0.000000E+00 0.000000E+00 CH2OH+M => CH2O+H+M 5.000000E+13 0.000000E+00 2.511950E+04 AR /7.000000E-01/ H2 /2.000000E+00/ H2O /6.000000E+00/ CO /1.500000E+00/ CO2 /2.000000E+00/ CH4 /2.000000E+00/ CH3O+M = CH2OH+M 1.000000E+14 0.000000E+00 1.912046E+04 AR /7.000000E-01/ H2 /2.000000E+00/ H2O /6.000000E+00/ CO /1.500000E+00/ CO2 /2.000000E+00/ CH4 /2.000000E+00/ CH3OH+OH => CH2OH+H2O 1.440000E+06 2.000000E+00 -8.389100E+02 CH3OH+OH => CH3O+H2O 4.400000E+06 2.000000E+00 1.505740E+03 CH3OH+H => CH2OH+H2 1.354000E+03 3.200000E+00 3.490680E+03 CH3OH+HO2 => CH2OH+H2O2 8.000000E+13 0.000000E+00 1.938337E+04 CH3OH+O2 => CH2OH+HO2 2.000000E+13 0.000000E+00 4.493308E+04 CH3OH(+M) => CH3+OH(+M) 1.900000E+16 0.000000E+00 9.172992E+04 AR /7.000000E-01/ H2 /2.000000E+00/ H2O /6.000000E+00/ CO /1.500000E+00/ CO2 /2.000000E+00/ CH4 /2.000000E+00/ LOW /2.950000E+44 -7.350000E+00 9.546009E+04/ TROE /4.140000E-01 2.800000E+02 5.500000E+03/ END