! PAH chemistry and thermal NOx were added to the skeletal mechanism from ! [Zeuch, T., Moreac, G., Ahmed, S. S., Mauss, F., "A comprehensive skeletal ! mechanism for the oxidation of n-heptane generated by chemistry-guided reduction", ! Combustion and Flame 1555 (2008) 651-674] ! This mechanism is designed for calculations around pressure of 50 Bar ! PAH chemistry from "Entwicklung eines kinetisches Modells der Rußbildung mit ! schneller Polymerisation" by Fabian Mauss ELEMENTS C H O N AR END SPECIES H O OH HO2 H2O2 CH HCO CH2-1 CH2-3 CH2O CH3 CH3O CH3O2 CH4 CH3O2H C2H HCCO C2H2 CH2CO C2H3 CH2CHO CH3CO C2H4 CH3CHO C2H5 C2H5O C3H2 C3H3 C3H4 C3H5 C3H6 N-C3H7 C3H8 C4H2 N-C4H3 N-C4H5 C4H7 C4H8-1 C4H9-1 C6H3 N-C6H5 C6H5O C6H5OH A1 A1- A1C2H A1C2H- A1C2H* N-A1C2H2 I-A1C2H2 CO CO2 H2 H2O O2 AR N2 HOCH2O HOCHO OCHO O2CHO HO2CHO C5H11-1 C5H11-2 L-C7H14 L-C7H15 N-C7H16 L-C7H15O2 R5-HEOOH-P R5-HEOOH-S R6-HEOOH-P R6-HEOOH-S R7-HEOOH-P R7-HEOOH-S R5-HEOOHO2-P R5-HEOOHO2-S R6-HEOOHO2-P R6-HEOOHO2-S R7-HEOOHO2-P R7-HEOOHO2-S R5-O-HEPOOH-P R5-O-HEPOOH-S R6-O-HEPOOH-P R6-O-HEPOOH-S R7-O-HEPOOH-P R7-O-HEPOOH-S C5H10-1 R5-C7H14O N-C5H11CHO N-C5H11CO N-C4H9COCH2 N-C3H7CHO N-C3H7CO N-C3H7COCH2 C2H5CHO C2H5CO C2H5COCH2 C2H5COCH3 CH2CH2COCH3 C2H4COC2H5-1 CH2CH2CHO CH3COCH2 N-C3H7COC2H4-1 CH3CHCOCH3 C2H5O2 C2H4O2H N-C3H7O2 I-C3H7O2 A1C2HAC A2-X A2 A2R5 A2R5- A2R5C2H A2R5C2H* ANC2HAC A3R5- A3R5 N NO NO2 END REACTIONS H+O2=O+OH 2.000E+14 0.00 1.679E+04 Rev / 4.953E+11 0.41 -3.950E+02 / O+H2=H+OH 5.100E+04 2.67 6.282E+03 Rev / 3.593E+04 2.61 4.540E+03 / OH+H2=H+H2O 1.000E+08 1.60 3.296E+03 Rev / 6.402E+09 1.28 1.924E+04 / 2OH=O+H2O 1.500E+09 1.14 1.003E+02 Rev / 1.363E+11 0.88 1.779E+04 / H+O2+M=HO2+M 2.300E+18 -0.80 0.000E+00 Rev / 9.961E+19 -1.23 5.044E+04 / CO/ 0.75/CO2/ 1.50/H2O/ 6.50/O2/ 0.40/AR/ 0.35/N2/ 0.40/ H+HO2=2OH 1.500E+14 0.00 1.003E+03 Rev / 1.600E+10 0.84 3.584E+04 / H+HO2=H2+O2 2.500E+13 0.00 6.927E+02 Rev / 1.529E+12 0.48 5.446E+04 / H+HO2=O+H2O 3.000E+13 0.00 1.720E+03 Rev / 2.909E+11 0.57 5.425E+04 / O+HO2=OH+O2 1.800E+13 0.00 -4.060E+02 Rev / 7.755E+11 0.43 5.162E+04 / OH+HO2=H2O+O2 2.890E+13 0.00 -4.999E+02 Rev / 1.131E+14 0.16 6.922E+04 / 2HO2=H2O2+O2 4.200E+14 0.00 1.199E+04 Rev / 3.180E+16 -0.31 4.949E+04 / DUPLICATE 2HO2=H2O2+O2 2.500E+11 0.00 -1.242E+03 Rev / 1.893E+13 -0.31 3.626E+04 / DUPLICATE 2OH(+M)=H2O2(+M) 1.236E+14 -0.37 0.000E+00 LOW / 3.041E+30 -4.63 2.049E+03 / TROE / 0.47 1.000E+02 2.000E+03 1.000E+15 / CO/ 1.90/CO2/ 3.80/H2/ 2.50/H2O/12.00/ H+H2O2=HO2+H2 1.700E+12 0.00 3.750E+03 Rev / 1.373E+09 0.79 2.001E+04 / H+H2O2=OH+H2O 1.000E+13 0.00 3.583E+03 Rev / 5.518E+07 1.31 7.063E+04 / O+H2O2=OH+HO2 2.800E+13 0.00 6.401E+03 Rev / 1.593E+10 0.73 2.092E+04 / OH+H2O2=HO2+H2O 5.400E+12 0.00 1.003E+03 Rev / 2.793E+11 0.47 3.321E+04 / 2H+M=H2+M 1.800E+18 -1.00 0.000E+00 Rev / 4.768E+18 -0.95 1.042E+05 / CO/ 0.75/CO2/ 1.50/H2O/ 6.50/O2/ 0.40/AR/ 0.35/N2/ 0.40/ H+OH+M=H2O+M 2.200E+22 -2.00 0.000E+00 Rev / 3.730E+24 -2.27 1.202E+05 / CO/ 0.75/CO2/ 1.50/H2O/ 6.50/O2/ 0.40/AR/ 0.35/N2/ 0.40/ 2O+M=O2+M 2.900E+17 -1.00 0.000E+00 Rev / 2.185E+20 -1.41 1.196E+05 / CO/ 0.75/CO2/ 1.50/H2O/ 6.50/O2/ 0.40/AR/ 0.35/N2/ 0.40/ OH+CO=H+CO2 6.000E+06 1.50 -7.404E+02 Rev / 3.740E+13 0.20 2.536E+04 / HO2+CO=OH+CO2 1.500E+14 0.00 2.357E+04 Rev / 9.975E+16 -0.46 8.451E+04 / O+CO+M=CO2+M 7.100E+13 0.00 -4.538E+03 Rev / 8.257E+20 -1.30 1.240E+05 / CO/ 0.75/CO2/ 1.50/H2O/ 6.50/O2/ 0.40/AR/ 0.35/N2/ 0.40/ CO+O2=O+CO2 2.500E+12 0.00 4.777E+04 Rev / 3.859E+16 -0.88 5.668E+04 / O+CH=H+CO 4.000E+13 0.00 0.000E+00 Rev / 3.014E+14 0.22 1.752E+05 / CH+O2=O+HCO 3.000E+13 0.00 0.000E+00 Rev / 3.579E+13 0.01 7.183E+04 / CH+CO2=HCO+CO 3.400E+12 0.00 6.927E+02 Rev / 2.628E+08 0.90 6.362E+04 / CH+H2O=OH+CH2-3 1.100E+12 0.00 -7.643E+02 Rev / 4.802E+10 0.24 -1.928E+04 / CH+H2O=H+CH2O 4.600E+12 0.00 -7.643E+02 Rev / 4.828E+17 -0.91 6.019E+04 / OH+CH=H+HCO 3.000E+13 0.00 0.000E+00 Rev / 1.445E+16 -0.40 8.902E+04 / HCO+M=H+CO+M 7.100E+14 0.00 1.679E+04 Rev / 5.951E+12 0.62 4.867E+02 / CO/ 0.75/CO2/ 1.50/H2O/ 6.50/O2/ 0.40/AR/ 0.35/N2/ 0.40/ H+HCO=CO+H2 9.000E+13 0.00 0.000E+00 Rev / 1.998E+12 0.67 8.790E+04 / O+HCO=OH+CO 3.000E+13 0.00 0.000E+00 Rev / 4.692E+11 0.62 8.616E+04 / O+HCO=H+CO2 3.000E+13 0.00 0.000E+00 Rev / 2.925E+18 -0.68 1.123E+05 / OH+HCO=CO+H2O 1.000E+14 0.00 0.000E+00 Rev / 1.421E+14 0.35 1.038E+05 / HCO+O2=HO2+CO 1.548E+04 2.38 -1.529E+03 Rev / 5.620E+03 2.57 3.260E+04 / 2HCO=CH2O+CO 3.000E+13 0.00 0.000E+00 Rev / 9.291E+15 -0.16 7.578E+04 / H+CH2-3=CH+H2 6.000E+12 0.00 -1.791E+03 Rev / 2.147E+12 0.08 7.785E+02 / O+CH2-3=>2H+CO 8.400E+12 0.00 0.000E+00 CH2-3+O2=H+OH+CO 1.650E+21 -3.30 2.866E+03 Rev / 4.159E+18 -2.64 5.922E+04 / CH2-3+O2=CO2+H2 2.630E+21 -3.30 2.866E+03 Rev / 1.094E+26 -3.89 1.895E+05 / CH2-3+O2=CO+H2O 2.240E+22 -3.30 2.866E+03 Rev / 9.573E+21 -2.91 1.794E+05 / CH2-3+O2=O+CH2O 3.290E+21 -3.30 2.866E+03 Rev / 1.959E+25 -4.04 6.515E+04 / CH2-3+O2=2H+CO2 3.290E+21 -3.30 2.866E+03 Rev / 5.169E+25 -3.94 8.532E+04 / 2CH2-3=C2H2+H2 1.200E+13 0.00 8.121E+02 Rev / 1.092E+20 -1.29 1.325E+05 / 2CH2-3=2H+C2H2 1.100E+14 0.00 8.121E+02 Rev / 3.779E+20 -1.34 2.830E+04 / CH2-3+CH3=H+C2H4 4.200E+13 0.00 0.000E+00 Rev / 7.770E+21 -1.59 6.514E+04 / CH2-1+M=CH2-3+M 9.000E+12 0.00 0.000E+00 Rev / 2.479E+12 0.05 8.802E+03 / CO/ 0.75/CO2/ 1.50/H2O/ 6.50/O2/ 0.40/AR/ 0.35/N2/ 0.40/ CH2-1+H2=H+CH3 7.000E+13 0.00 0.000E+00 Rev / 1.584E+17 -0.83 1.594E+04 / CH2-1+O2=H+OH+CO 3.100E+13 0.00 0.000E+00 Rev / 2.152E+10 0.70 6.516E+04 / CH2O+M=H+HCO+M 5.000E+16 0.00 7.643E+04 Rev / 1.353E+12 0.78 -1.566E+04 / CO/ 0.75/CO2/ 1.50/H2O/ 6.50/O2/ 0.40/AR/ 0.35/N2/ 0.40/ H+CH2O=HCO+H2 3.200E+10 1.05 3.272E+03 Rev / 2.294E+06 1.88 1.539E+04 / O+CH2O=OH+HCO 4.200E+11 0.57 2.771E+03 Rev / 2.121E+07 1.35 1.315E+04 / CH2O+CH3=HCO+CH4 1.000E+11 0.00 6.091E+03 Rev / 1.861E+11 0.01 2.119E+04 / OH+CH2O=HCO+H2O 6.022E+12 0.00 0.000E+00 Rev / 2.764E+10 0.51 2.806E+04 / HO2+CH2O=H2O2+HCO 4.124E+04 2.50 1.020E+04 Rev / 3.660E+03 2.54 6.053E+03 / CH2O+O2=HO2+HCO 6.000E+13 0.00 4.077E+04 Rev / 7.033E+10 0.35 -8.795E+02 / CH3+M=H+CH2-3+M 1.000E+16 0.00 9.052E+04 Rev / 4.596E+11 0.83 -2.082E+04 / CO/ 0.75/CO2/ 1.50/H2O/ 6.50/O2/ 0.40/AR/ 0.35/N2/ 0.40/ CH3+M=CH+H2+M 6.900E+14 0.00 8.240E+04 Rev / 1.135E+10 0.91 -2.638E+04 / CO/ 0.75/CO2/ 1.50/H2O/ 6.50/O2/ 0.40/AR/ 0.35/N2/ 0.40/ O+CH3=H+CH2O 4.600E+13 0.00 0.000E+00 Rev / 9.484E+15 -0.33 7.059E+04 / O+CH3=H+CO+H2 3.800E+13 0.00 0.000E+00 Rev / 4.708E+09 1.13 6.640E+04 / CH3+O2=OH+CH2O 3.400E+11 0.00 8.933E+03 Rev / 1.736E+11 0.08 6.234E+04 / OH+CH3=H+CH3O 1.260E+14 0.00 1.548E+04 Rev / 9.589E+19 -1.18 5.721E+03 / HO2+CH3=OH+CH3O 1.800E+13 0.00 0.000E+00 Rev / 1.461E+15 -0.34 2.508E+04 / H+CH3=CH4 1.390E+30 -4.90 7.837E+03 Rev / 9.560E+34 -5.66 1.150E+05 / 2CH3=>C2H4+H2 2.000E+16 0.00 3.201E+04 HO2+CH3=CH4+O2 3.600E+12 0.00 0.000E+00 Rev / 5.717E+15 -0.33 5.675E+04 / CH3O(+M)=H+CH2O(+M) 5.450E+13 0.00 1.350E+04 LOW / 2.344E+25 -2.70 3.060E+04 / CO/ 1.90/CO2/ 3.80/H2/ 2.50/H2O/12.00/ H+CH3O=CH2O+H2 1.800E+13 0.00 0.000E+00 Rev / 6.923E+09 0.91 8.209E+04 / CH3O+O2=HO2+CH2O 4.000E+10 0.00 2.126E+03 Rev / 2.515E+08 0.43 3.045E+04 / O+CH3O=CH3+O2 1.100E+13 0.00 0.000E+00 Rev / 5.837E+09 0.77 2.694E+04 / O+CH3O=OH+CH2O 1.400E+12 0.00 0.000E+00 Rev / 3.793E+08 0.85 8.035E+04 / CH3O2+M=>CH3+O2+M 7.240E+16 0.00 2.654E+04 CO/ 0.75/CO2/ 1.50/H2O/ 6.50/O2/ 0.40/AR/ 0.35/N2/ 0.40/ CH3+O2+M=>CH3O2+M 1.410E+16 0.00 -1.099E+03 CO/ 0.75/CO2/ 1.50/H2O/ 6.50/O2/ 0.40/AR/ 0.35/N2/ 0.40/ CH2O+CH3O2=>HCO+CH3O2H 1.300E+11 0.00 9.004E+03 HCO+CH3O2H=>CH2O+CH3O2 2.500E+10 0.00 1.010E+04 CH3+CH3O2=>2CH3O 3.800E+12 0.00 -1.194E+03 2CH3O=>CH3+CH3O2 2.000E+10 0.00 0.000E+00 HO2+CH3O2=>CH3O2H+O2 4.600E+10 0.00 -2.603E+03 CH3O2H+O2=>HO2+CH3O2 3.000E+12 0.00 3.900E+04 2CH3O2=>2CH3O+O2 3.700E+12 0.00 2.197E+03 H+CH4=CH3+H2 1.300E+04 3.00 8.981E+03 Rev / 5.006E-01 3.82 5.997E+03 / O+CH4=OH+CH3 6.923E+08 1.56 8.479E+03 Rev / 1.878E+04 2.32 3.754E+03 / OH+CH4=CH3+H2O 1.600E+07 1.83 2.771E+03 Rev / 3.945E+04 2.33 1.573E+04 / HO2+CH4=H2O2+CH3 1.100E+13 0.00 2.463E+04 Rev / 5.244E+11 0.03 5.379E+03 / CH2-3+CH4=2CH3 1.300E+13 0.00 9.530E+03 Rev / 4.113E+12 -0.06 1.369E+04 / CH+CH4=H+C2H4 3.000E+13 0.00 -4.060E+02 Rev / 5.974E+17 -0.86 5.918E+04 / CH3O2H=OH+CH3O 4.000E+15 0.00 4.311E+04 Rev / 1.131E+08 1.79 -2.550E+03 / OH+CH3O2H=CH3O2+H2O 2.600E+12 0.00 0.000E+00 Rev / 1.574E+13 0.02 2.943E+04 / O+C2H=CH+CO 1.000E+13 0.00 0.000E+00 Rev / 5.677E+10 0.56 7.875E+04 / C2H+O2=O+HCCO 3.000E+13 0.00 0.000E+00 Rev / 2.341E+14 -0.43 3.264E+04 / HCCO=CH+CO 5.000E+15 0.00 5.876E+04 Rev / 4.828E+09 1.40 -1.478E+04 / H+HCCO=CH2-3+CO 1.450E+14 0.00 0.000E+00 Rev / 1.036E+09 1.38 2.810E+04 / O+HCCO=>H+2CO 9.600E+13 0.00 0.000E+00 HCCO+O2=>H+CO+CO2 6.000E+12 0.00 8.598E+02 C2H2+M=H+C2H+M 3.600E+16 0.00 1.065E+05 Rev / 2.538E+11 1.05 -2.781E+04 / CO/ 0.75/CO2/ 1.50/H2O/ 6.50/O2/ 0.40/AR/ 0.35/N2/ 0.40/ H+C2H2=C2H+H2 6.030E+13 0.00 2.780E+04 Rev / 1.126E+09 1.11 -2.325E+03 / OH+C2H2=C2H+H2O 9.000E+13 0.00 1.295E+04 Rev / 1.076E+11 0.79 -1.234E+03 / O+C2H2=CH2-3+CO 2.000E+06 2.10 1.562E+03 Rev / 5.924E-01 3.68 4.762E+04 / O+C2H2=H+HCCO 5.200E+06 2.10 1.562E+03 Rev / 2.155E+05 2.31 1.951E+04 / C2H2+O2=OH+HCCO 2.000E+08 1.50 3.009E+04 Rev / 2.053E+04 2.12 3.086E+04 / C2H+C2H2=H+C4H2 3.000E+14 0.00 0.000E+00 Rev / 4.754E+19 -1.12 3.121E+04 / CH2CO+M=CH2-3+CO+M 1.000E+16 0.00 5.923E+04 Rev / 7.599E+05 2.18 -2.147E+04 / CO/ 0.75/CO2/ 1.50/H2O/ 6.50/O2/ 0.40/AR/ 0.35/N2/ 0.40/ H+CH2CO=CH3+CO 1.800E+13 0.00 3.368E+03 Rev / 2.976E+07 1.35 3.401E+04 / O+CH2CO=2HCO 2.300E+12 0.00 1.361E+03 Rev / 2.532E+06 1.19 2.681E+04 / OH+CH2CO=HCO+CH2O 1.000E+13 0.00 0.000E+00 Rev / 2.180E+11 0.41 1.508E+04 / C2H3=H+C2H2 9.500E+44 -9.50 5.246E+04 Rev / 2.553E+44 -9.42 1.329E+04 / H+C2H3=C2H2+H2 1.200E+13 0.00 0.000E+00 Rev / 8.540E+12 0.13 6.503E+04 / O+C2H3=OH+C2H2 1.000E+13 0.00 0.000E+00 Rev / 5.013E+12 0.07 6.329E+04 / OH+C2H3=C2H2+H2O 5.000E+13 0.00 0.000E+00 Rev / 2.278E+15 -0.19 8.097E+04 / O+C2H3=CH3+CO 1.000E+13 0.00 0.000E+00 Rev / 1.732E+10 0.83 1.182E+05 / O+C2H3=HCO+CH2-3 1.000E+13 0.00 0.000E+00 Rev / 9.495E+07 1.04 2.318E+04 / C2H3+O2=HCO+CH2O 4.580E+16 -1.39 1.013E+03 Rev / 2.589E+15 -1.09 8.648E+04 / C2H3+O2=O+CH2CHO 3.030E+11 0.29 1.099E+01 Rev / 3.966E+13 -0.34 2.990E+03 / C2H3+O2=HO2+C2H2 1.337E+06 1.61 -3.838E+02 Rev / 1.556E+07 1.26 1.088E+04 / CH3CO=CH3+CO 7.320E+29 -5.40 2.350E+04 Rev / 1.423E+22 -3.60 7.475E+03 / H+CH3CO=CH2CO+H2 2.000E+13 0.00 0.000E+00 Rev / 6.228E+11 0.50 5.753E+04 / H+CH2CHO=CH2CO+H2 2.000E+13 0.00 0.000E+00 Rev / 5.626E+11 0.57 6.916E+04 / C2H4+M=C2H2+H2+M 7.500E+17 0.00 7.949E+04 Rev / 1.695E+12 1.14 3.469E+04 / CO/ 0.75/CO2/ 1.50/H2O/ 6.50/O2/ 0.40/AR/ 0.35/N2/ 0.40/ H+C2H3=C2H4 8.000E+13 0.00 0.000E+00 Rev / 2.518E+19 -1.01 1.098E+05 / H+C2H4=C2H3+H2 5.400E+14 0.00 1.502E+04 Rev / 4.543E+09 1.06 9.407E+03 / OH+C2H4=C2H3+H2O 2.200E+13 0.00 5.947E+03 Rev / 1.185E+10 0.74 1.628E+04 / O+C2H4=H+CH2CHO 4.730E+06 1.88 1.827E+02 Rev / 1.482E+06 1.85 1.299E+04 / O+C2H4=HCO+CH3 8.100E+06 1.88 1.827E+02 Rev / 5.316E+00 3.10 2.489E+04 / O+C2H4=CH2CO+H2 6.800E+05 1.88 1.827E+02 Rev / 5.992E+03 2.42 8.214E+04 / CH2-1+CH3=H+C2H4 1.600E+13 0.00 -5.685E+02 Rev / 8.153E+20 -1.55 7.337E+04 / CH3CHO+M=HCO+CH3+M 7.000E+15 0.00 8.188E+04 Rev / 3.353E+05 2.09 -5.715E+03 / CO/ 0.75/CO2/ 1.50/H2O/ 6.50/O2/ 0.40/AR/ 0.35/N2/ 0.40/ H+CH3CHO=CH3CO+H2 2.100E+09 1.16 2.412E+03 Rev / 1.149E+05 2.13 1.875E+04 / H+CH3CHO=CH2CHO+H2 2.000E+09 1.16 2.412E+03 Rev / 1.211E+05 2.05 7.125E+03 / O+CH3CHO=OH+CH3CO 5.000E+12 0.00 1.815E+03 Rev / 1.927E+08 0.91 1.641E+04 / O+CH3CHO=OH+CH2CHO 8.000E+11 0.00 1.815E+03 Rev / 3.413E+07 0.84 4.786E+03 / OH+CH3CHO=CH3CO+H2O 2.300E+10 0.73 -1.123E+03 Rev / 8.055E+07 1.38 3.116E+04 / HO2+CH3CHO=H2O2+CH3CO 3.010E+12 0.00 1.194E+04 Rev / 2.038E+11 0.18 1.202E+04 / CH3CHO+O2=HO2+CH3CO 4.000E+13 0.00 3.924E+04 Rev / 3.578E+10 0.48 1.811E+03 / CH2-3+CH3CHO=CH3+CH3CO 2.500E+12 0.00 3.798E+03 Rev / 1.124E+12 0.09 2.728E+04 / CH3+CH3CHO=CH4+CH3CO 2.000E-06 5.64 2.460E+03 Rev / 2.841E-06 5.79 2.178E+04 / C2H5=H+C2H4 1.230E+34 -6.10 5.236E+04 Rev / 1.624E+33 -5.81 1.479E+04 / CH3+C2H5=CH4+C2H4 1.140E+12 0.00 0.000E+00 Rev / 1.035E+16 -0.47 6.962E+04 / C2H5+O2=HO2+C2H4 1.100E+10 0.00 -1.505E+03 Rev / 6.291E+10 -0.14 1.137E+04 / 2CH3=H+C2H5 3.000E+13 0.00 1.349E+04 Rev / 1.932E+18 -1.06 4.854E+03 / O+C2H5=H+CH3CHO 4.600E+13 0.00 0.000E+00 Rev / 8.322E+16 -0.58 7.473E+04 / O+C2H5=CH2O+CH3 3.300E+13 0.00 0.000E+00 Rev / 1.057E+11 0.73 7.923E+04 / O+C2H5=OH+C2H4 2.500E+13 0.00 0.000E+00 Rev / 6.160E+12 0.29 6.490E+04 / C2H5O=H+CH3CHO 2.510E+14 0.00 2.317E+04 Rev / 1.043E+13 0.00 6.041E+03 / C2H5O=CH2O+CH3 1.000E+15 0.00 2.159E+04 Rev / 7.359E+07 1.31 8.960E+03 / C2H5O+O2=HO2+CH3CHO 5.010E+12 0.00 3.989E+03 Rev / 9.021E+12 -0.43 3.730E+04 / OH+C2H5O=CH3CHO+H2O 1.320E+12 0.00 0.000E+00 Rev / 9.305E+12 -0.27 1.030E+05 / H+C2H5O=CH3CHO+H2 1.800E+13 0.00 0.000E+00 Rev / 1.982E+12 0.05 8.708E+04 / CH+C2H2=H+C3H2 3.000E+13 0.00 -1.194E+02 Rev / 1.722E+18 -1.02 3.792E+04 / CH+C2H2=C3H3 5.000E+12 0.00 -1.194E+02 Rev / 3.005E+18 -1.09 1.205E+05 / CH2-1+C2H2=H+C3H3 6.000E+13 0.00 0.000E+00 Rev / 1.342E+18 -1.02 2.781E+04 / CH2-3+C2H2=H+C3H3 1.600E+13 0.00 6.592E+03 Rev / 1.299E+18 -1.07 2.560E+04 / O+C3H3=>C2H3+CO 3.800E+13 0.00 0.000E+00 C3H3+O2=>CH2O+HCCO 1.000E+11 0.00 2.866E+03 H+C3H4=CH3+C2H2 1.000E+13 0.00 2.388E+03 Rev / 1.089E+07 1.24 1.164E+04 / CH2-3+C2H2=C3H4 4.000E+12 0.00 6.616E+03 Rev / 7.995E+22 -2.06 1.087E+05 / CH2-1+C2H2=C3H4 6.000E+13 0.00 0.000E+00 Rev / 3.303E+23 -2.02 1.109E+05 / H+C3H4=C3H3+H2 1.000E+12 0.00 1.500E+03 Rev / 1.076E+07 1.05 2.262E+04 / OH+C3H4=C3H3+H2O 6.000E+12 0.00 0.000E+00 Rev / 4.132E+09 0.73 3.707E+04 / CH3+C3H4=CH4+C3H3 2.000E+12 0.00 7.691E+03 Rev / 5.587E+11 0.23 3.180E+04 / C2H+C3H4=C2H2+C3H3 1.000E+13 0.00 0.000E+00 Rev / 5.762E+12 -0.06 5.125E+04 / O+C3H4=CH2O+C2H2 1.000E+12 0.00 0.000E+00 Rev / 2.244E+08 0.91 7.984E+04 / O+C3H4=HCO+C2H3 1.000E+12 0.00 0.000E+00 Rev / 2.261E+04 1.61 2.693E+04 / OH+C3H4=CH2O+C2H3 1.000E+12 0.00 0.000E+00 Rev / 4.477E+08 0.84 1.656E+04 / OH+C3H4=HCO+C2H4 1.000E+12 0.00 0.000E+00 Rev / 3.814E+09 0.61 3.429E+04 / C3H5=H+C3H4 3.980E+13 0.00 7.001E+04 Rev / 1.826E+09 1.12 7.386E+02 / H+C3H5=C3H4+H2 3.000E+13 0.00 0.000E+00 Rev / 3.646E+09 1.17 3.494E+04 / C3H5+O2=HO2+C3H4 6.000E+11 0.00 1.001E+04 Rev / 1.192E+09 0.69 -8.822E+03 / C3H6=CH3+C2H3 8.000E+14 0.00 8.797E+04 Rev / 1.752E+03 2.33 -1.324E+04 / C3H6=C3H4+H2 4.000E+13 0.00 7.994E+04 Rev / 5.728E+07 1.23 3.450E+04 / C3H6=CH4+C2H2 3.500E+12 0.00 6.996E+04 Rev / 1.417E+05 1.65 3.676E+04 / C3H6=H+C3H5 5.000E+13 0.00 7.994E+04 Rev / 5.892E+11 0.06 -4.364E+02 / H+C3H6=C3H5+H2 1.700E+05 2.50 2.484E+03 Rev / 5.306E+03 2.61 2.631E+04 / OH+C3H6=C3H5+H2O 8.000E+12 0.00 0.000E+00 Rev / 1.598E+13 -0.21 3.977E+04 / CH3+C3H6=CH4+C3H5 2.210E+00 3.50 5.661E+03 Rev / 1.791E+03 2.79 3.247E+04 / O+C3H6=CH2O+C2H4 5.900E+13 0.00 5.016E+03 Rev / 8.388E+09 1.00 8.421E+04 / O+C3H6=HCO+C2H5 3.600E+12 0.00 0.000E+00 Rev / 1.049E+05 1.49 2.468E+04 / O+C3H6=CH3+CH3CO 5.000E+12 0.00 5.971E+02 Rev / 9.755E+05 1.37 3.364E+04 / OH+C3H6=CH2O+C2H5 3.000E+11 0.00 0.000E+00 Rev / 1.731E+08 0.71 1.430E+04 / OH+C3H6=CH3+CH3CHO 2.000E+12 0.00 0.000E+00 Rev / 1.013E+10 0.46 1.845E+04 / N-C3H7=CH3+C2H4 9.600E+13 0.00 3.100E+04 Rev / 1.344E+05 1.96 4.778E+03 / H+C3H6=N-C3H7 2.000E+13 0.00 3.248E+03 Rev / 9.847E+15 -0.63 3.808E+04 / N-C3H7+O2=HO2+C3H6 1.000E+12 0.00 4.992E+03 Rev / 8.796E+10 0.20 2.059E+04 / CH3+C2H5=C3H8 3.300E+13 0.00 0.000E+00 Rev / 8.971E+25 -2.51 9.033E+04 / H+C3H8=N-C3H7+H2 1.300E+14 0.00 9.697E+03 Rev / 1.194E+10 0.90 1.223E+04 / O+C3H8=OH+N-C3H7 3.000E+13 0.00 5.756E+03 Rev / 1.942E+09 0.84 6.549E+03 / OH+C3H8=N-C3H7+H2O 3.700E+12 0.00 1.648E+03 Rev / 2.176E+10 0.58 2.013E+04 / HO2+C3H8=>H2O2+N-C3H7 1.700E+13 0.00 1.939E+04 H2O2+N-C3H7=>HO2+C3H8 2.330E+12 0.00 9.817E+03 CH3+C3H8=>CH4+N-C3H7 4.000E+11 0.00 9.506E+03 CH4+N-C3H7=>CH3+C3H8 3.120E+12 0.00 1.646E+04 C3H8+O2=>HO2+N-C3H7 4.000E+13 0.00 4.901E+04 HO2+N-C3H7=>C3H8+O2 2.080E+12 0.00 0.000E+00 C4H7=C2H3+C2H4 1.000E+11 0.00 3.700E+04 Rev / 6.702E+00 2.50 -9.190E+02 / C2H5+C4H7=C2H4+C4H8-1 5.000E+11 0.00 0.000E+00 Rev / 1.134E+15 -0.46 6.118E+04 / C4H8-1=CH3+C3H5 8.000E+16 0.00 7.342E+04 Rev / 1.976E+08 1.74 3.800E+03 / C4H8-1=C2H3+C2H5 2.000E+18 -1.00 9.678E+04 Rev / 5.912E+04 1.96 -2.315E+03 / C4H8-1=H+C4H7 4.110E+18 -1.00 9.738E+04 Rev / 2.394E+14 -0.25 -1.368E+03 / H+C4H8-1=C4H7+H2 5.000E+13 0.00 3.893E+03 Rev / 7.713E+09 0.80 9.353E+03 / O+C4H8-1=C2H4+CH3CHO 1.305E+12 0.00 8.598E+02 Rev / 2.197E+07 1.37 8.632E+04 / O+C4H8-1=CH3+C2H5+CO 1.625E+13 0.00 8.598E+02 Rev / 8.319E-04 3.79 1.999E+04 / O+C4H8-1=CH2O+C3H6 2.500E+12 0.00 0.000E+00 Rev / 1.080E+08 1.36 8.135E+04 / O+C4H8-1=OH+C4H7 1.300E+13 0.00 4.490E+03 Rev / 1.413E+09 0.75 8.208E+03 / OH+C4H8-1=CH3CHO+C2H5 1.000E+11 0.00 0.000E+00 Rev / 6.832E+06 1.08 2.056E+04 / OH+C4H8-1=CH2O+N-C3H7 6.500E+12 0.00 0.000E+00 Rev / 7.413E+10 0.73 1.372E+04 / OH+C4H8-1=C4H7+H2O 1.750E+13 0.00 6.950E+03 Rev / 1.728E+11 0.48 2.836E+04 / CH3+C4H8-1=CH4+C4H7 1.000E+11 0.00 7.309E+03 Rev / 4.006E+11 -0.01 1.575E+04 / C4H8-1+O2=HO2+C4H7 4.000E+12 0.00 3.998E+04 Rev / 1.009E+10 0.32 -8.326E+03 / HO2+C4H8-1=H2O2+C4H7 1.000E+11 0.00 1.705E+04 Rev / 1.910E+10 0.01 6.250E+03 / C3H5+C4H8-1=C3H6+C4H7 8.000E+10 0.00 1.240E+04 Rev / 3.954E+08 0.69 -5.971E+03 / C4H9-1=C2H4+C2H5 2.500E+13 0.00 2.880E+04 Rev / 6.400E+03 2.40 3.390E+03 / C4H9-1=H+C4H8-1 1.260E+13 0.00 3.860E+04 Rev / 3.466E+11 0.45 2.457E+03 / C4H9-1+O2=HO2+C4H8-1 1.000E+12 0.00 2.006E+03 Rev / 1.191E+12 0.02 1.630E+04 / O+CH3CO=HCO+CH2O 9.600E+06 1.83 2.200E+03 Rev / 4.591E+03 2.68 7.307E+04 / O+CH3CO=OH+CH2CO 1.000E+13 0.00 0.000E+00 Rev / 2.194E+11 0.44 5.579E+04 / OH+CH3CO=CH2CO+H2O 5.000E+12 0.00 0.000E+00 Rev / 9.969E+12 0.18 7.348E+04 / CH3+HCCO=C2H4+CO 7.000E+12 0.00 0.000E+00 Rev / 9.256E+15 -0.22 9.324E+04 / CH3+C2H=H+C3H3 2.410E+13 0.00 0.000E+00 Rev / 1.276E+19 -1.29 4.199E+04 / CH4+C2H=CH3+C2H2 1.810E+12 0.00 5.000E+02 Rev / 3.733E+12 -0.29 2.764E+04 / C2H+C2H2=N-C4H3 4.500E+37 -7.68 7.100E+03 Rev / 1.039E+45 -9.51 7.044E+04 / C2H2+C2H3=N-C4H5 8.100E+37 -8.09 1.340E+04 Rev / 1.383E+48 -10.84 5.169E+04 / HCCO+C2H2=C3H3+CO 1.000E+11 0.00 3.000E+03 Rev / 5.803E+10 0.31 5.011E+04 / C2H4+O2=HO2+C2H3 4.220E+13 0.00 6.080E+04 Rev / 5.806E+09 0.58 1.416E+03 / H2O2+C2H3=HO2+C2H4 1.210E+10 0.00 -5.960E+02 Rev / 1.162E+12 -0.27 2.128E+04 / HCO+C2H3=C2H4+CO 2.500E+13 0.00 0.000E+00 Rev / 6.597E+16 -0.39 9.352E+04 / CH3+C2H3=CH4+C2H2 3.920E+11 0.00 0.000E+00 Rev / 7.244E+15 -0.69 6.801E+04 / 2C2H3=H+N-C4H5 2.400E+20 -2.04 1.536E+04 Rev / 1.101E+30 -4.71 1.447E+04 / O+C3H2=C2H2+CO 6.800E+13 0.00 0.000E+00 Rev / 8.925E+09 1.24 1.371E+05 / OH+C3H2=HCO+C2H2 6.800E+13 0.00 0.000E+00 Rev / 5.706E+11 0.62 5.098E+04 / C3H2+O2=H+HCCO+CO 5.000E+13 0.00 0.000E+00 Rev / 3.610E+05 1.86 3.544E+04 / CH+C3H2=H+C4H2 5.000E+13 0.00 0.000E+00 Rev / 1.832E+17 -0.44 8.960E+04 / CH2-3+C3H2=H+N-C4H3 8.000E+13 0.00 0.000E+00 Rev / 5.770E+18 -1.13 2.009E+04 / HCCO+C3H2=N-C4H3+CO 1.000E+13 0.00 0.000E+00 Rev / 5.155E+12 0.25 4.819E+04 / H+C3H3(+M)=C3H4(+M) 3.000E+13 0.00 0.000E+00 LOW / 1.400E+31 -5.00 -6.000E+03 / TROE / 0.50 2.000E+03 1.000E+01 1.000E+15 / CH4/ 2.00/CO/ 1.50/CO2/ 2.00/H2/ 2.00/H2O/ 6.00/AR/ 0.70/ O+C3H3=CH2O+C2H 2.000E+13 0.00 0.000E+00 Rev / 7.790E+09 0.97 2.860E+04 / OH+C3H3=HCO+C2H3 3.000E+12 0.00 0.000E+00 Rev / 8.949E+09 0.62 7.555E+03 / HO2+C3H3=C3H4+O2 1.000E+12 0.00 0.000E+00 Rev / 5.684E+15 -0.57 3.265E+04 / HCO+C3H3=C3H4+CO 3.000E+13 0.00 0.000E+00 Rev / 6.191E+16 -0.38 6.678E+04 / 2C3H3=>A1 5.000E+12 0.00 0.000E+00 H+C4H2=>N-C4H3 2.300E+46 -10.15 1.350E+04 N-C4H3=>H+C4H2 1.000E+43 -10.15 1.200E+05 O+C4H2=C3H2+CO 8.000E+12 0.00 1.340E+03 Rev / 1.645E+10 0.66 8.692E+04 / C2H+C4H2=C6H3 4.500E+37 -7.68 7.100E+03 Rev / 3.876E+46 -9.93 7.477E+04 / 2C2H2=>H+N-C4H3 1.000E+13 0.00 4.588E+04 H+N-C4H3=>2C2H2 2.000E+19 -1.60 2.220E+03 H+N-C4H3=C4H2+H2 1.500E+13 0.00 0.000E+00 Rev / 2.726E+11 0.76 7.208E+04 / OH+N-C4H3=C4H2+H2O 2.500E+12 0.00 0.000E+00 Rev / 2.909E+12 0.44 8.803E+04 / C2H2+N-C4H3=N-C6H5 3.800E+21 -3.17 6.400E+03 Rev / 3.048E+31 -5.33 4.898E+04 / C2H2+N-C4H3=A1- 1.900E+63 -15.25 3.060E+04 Rev / 2.556E+75 -16.92 1.376E+05 / N-C4H5+O2=>HCO+C2H4+CO 4.160E+10 0.00 2.500E+03 C2H2+N-C4H5=H+A1 1.600E+18 -1.88 7.400E+03 Rev / 1.647E+27 -2.43 7.829E+04 / H+C6H3=C2H2+C4H2 2.800E+23 -2.55 1.078E+04 Rev / 4.612E+19 -1.35 7.745E+04 / C6H3+O2=>HCCO+C3H2+CO 5.000E+11 0.00 0.000E+00 N-C6H5=A1- 3.500E+46 -10.44 3.360E+04 Rev / 5.870E+48 -9.95 9.806E+04 / H+A1=A1-+H2 4.000E+12 0.00 7.887E+03 Rev / 3.547E+07 0.98 -2.070E+02 / OH+A1=A1-+H2O 1.600E+08 1.42 1.450E+03 Rev / 9.082E+04 2.08 9.303E+03 / H+A1-(+M)=A1(+M) 1.000E+14 0.00 0.000E+00 LOW / 6.600E+75 -16.30 7.000E+03 / TROE / 1.00 1.000E-01 5.849E+02 1.000E+15 / CH4/ 2.00/CO/ 1.50/CO2/ 2.00/H2/ 2.00/H2O/ 6.00/AR/ 0.70/ O+A1=H+C6H5O 2.200E+13 0.00 4.530E+03 Rev / 4.012E+14 -0.46 1.945E+04 / OH+A1=H+C6H5OH 1.300E+13 0.00 1.060E+04 Rev / 3.727E+16 -0.94 9.979E+03 / A1-+O2=O+C6H5O 2.100E+12 0.00 7.470E+03 Rev / 1.518E+16 -0.98 1.505E+04 / O+C6H5O=HCO+2C2H2+CO 3.000E+13 0.00 0.000E+00 Rev / 9.045E-13 5.06 -2.737E+04 / H+C6H5O(+M)=C6H5OH(+M) 2.500E+14 0.00 0.000E+00 LOW / 1.000E+94 -21.84 1.388E+04 / TROE / 0.04 3.042E+02 6.000E+04 1.000E+15 / CH4/ 2.00/CO/ 1.50/CO2/ 2.00/H2/ 2.00/H2O/ 6.00/AR/ 0.70/ H+C6H5OH=C6H5O+H2 1.150E+14 0.00 1.240E+04 Rev / 1.038E+12 0.53 2.969E+04 / O+C6H5OH=OH+C6H5O 2.800E+13 0.00 7.352E+03 Rev / 1.781E+11 0.47 2.290E+04 / OH+C6H5OH=C6H5O+H2O 6.000E+12 0.00 0.000E+00 Rev / 3.468E+12 0.21 3.324E+04 / C4H2+N-C4H3=A1C2H- 1.900E+63 -15.25 3.060E+04 Rev / 2.146E+77 -17.42 1.351E+05 / C2H+A1=H+A1C2H 5.000E+13 0.00 0.000E+00 Rev / 3.432E+20 -1.73 2.892E+04 / C2H2+A1-=N-A1C2H2 7.900E+29 -5.15 1.370E+04 Rev / 1.707E+37 -6.90 5.332E+04 / C2H2+A1-=H+A1C2H 2.500E+29 -4.43 2.640E+04 Rev / 3.614E+36 -6.04 3.328E+04 / H+A1C2H=N-A1C2H2 1.600E+32 -5.72 1.109E+04 Rev / 2.392E+32 -5.86 4.382E+04 / H+A1C2H=I-A1C2H2 1.600E+32 -5.72 1.109E+04 Rev / 8.085E+34 -6.32 5.244E+04 / H+A1C2H=A1C2H*+H2 2.500E+14 0.00 1.600E+04 Rev / 4.277E+09 1.11 7.271E+03 / H+A1C2H=A1C2H-+H2 2.500E+14 0.00 1.600E+04 Rev / 4.296E+09 1.09 7.633E+03 / OH+A1C2H=A1C2H*+H2O 1.600E+08 1.42 1.450E+03 Rev / 1.752E+05 2.21 8.668E+03 / OH+A1C2H=A1C2H-+H2O 1.600E+08 1.42 1.450E+03 Rev / 1.760E+05 2.19 9.031E+03 / H+A1C2H-(+M)=A1C2H(+M) 1.000E+14 0.00 0.000E+00 LOW / 6.600E+75 -16.30 7.000E+03 / TROE / 1.00 1.000E-01 5.849E+02 1.000E+15 / CH4/ 2.00/CO/ 1.50/CO2/ 2.00/H2/ 2.00/H2O/ 6.00/AR/ 0.70/ H+A1C2H*(+M)=A1C2H(+M) 1.000E+14 0.00 0.000E+00 LOW / 6.600E+75 -16.30 7.000E+03 / TROE / 1.00 1.000E-01 5.849E+02 1.000E+15 / CH4/ 2.00/CO/ 1.50/CO2/ 2.00/H2/ 2.00/H2O/ 6.00/AR/ 0.70/ HOCH2O=OH+CH2O 1.643E+14 -0.10 2.189E+04 Rev / 1.494E+07 1.52 -5.218E+02 / HOCH2O=H+HOCHO 1.000E+14 0.00 1.490E+04 Rev / 2.127E+12 0.49 1.274E+04 / HOCHO+M=CO+H2O+M 2.300E+13 0.00 5.000E+04 Rev / 3.782E+03 2.26 4.151E+04 / HOCHO+M=CO2+H2+M 1.500E+16 0.00 5.700E+04 Rev / 2.402E+11 1.29 5.866E+04 / HOCHO=OH+HCO 4.593E+18 -0.46 1.083E+05 Rev / 5.314E+08 1.45 -4.036E+03 / OH+CH3CHO=CH3+HOCHO 3.000E+15 -1.08 0.000E+00 Rev / 1.242E+15 -0.90 2.474E+04 / CH2O+OCHO=HCO+HOCHO 5.600E+12 0.00 1.360E+04 Rev / 7.035E+10 0.35 2.666E+04 / HO2+OCHO=O2+HOCHO 3.500E+10 0.00 -3.275E+03 Rev / 3.751E+11 0.00 5.143E+04 / H2O2+OCHO=HO2+HOCHO 2.400E+12 0.00 1.000E+04 Rev / 3.398E+11 0.31 2.720E+04 / OH+HOCHO=>H+CO2+H2O 2.620E+06 2.06 9.160E+02 OH+HOCHO=>OH+CO+H2O 1.850E+07 1.51 -9.620E+02 H+HOCHO=>H+CO2+H2 4.240E+06 2.10 4.868E+03 H+HOCHO=>OH+CO+H2 6.030E+13 -0.35 2.988E+03 CH3+HOCHO=>OH+CH4+CO 3.900E-07 5.80 2.200E+03 HO2+HOCHO=>OH+H2O2+CO 1.000E+12 0.00 1.192E+04 O+HOCHO=>2OH+CO 1.770E+18 -1.90 2.975E+03 O2CHO=HCO+O2 7.766E+26 -3.96 4.423E+04 Rev / 2.219E+20 -2.36 1.072E+03 / C3H8+O2CHO=N-C3H7+HO2CHO 5.520E+04 2.55 1.648E+04 Rev / 1.090E+05 2.30 3.728E+03 / CH2O+O2CHO=HCO+HO2CHO 1.990E+12 0.00 1.166E+04 Rev / 3.067E+12 -0.32 8.490E+03 / HO2CHO=OH+OCHO 5.010E+14 0.00 4.015E+04 Rev / 2.163E+08 1.62 5.409E+02 / OCHO+M=H+CO2+M 2.443E+15 -0.50 2.650E+04 Rev / 6.855E+12 0.31 2.910E+04 / O2CHO+N-C7H16=>HO2CHO+L-C7H15 1.680E+13 0.00 2.044E+04 DUPLICATE HO2CHO+L-C7H15=>O2CHO+N-C7H16 7.143E+11 -0.20 6.603E+03 DUPLICATE O2CHO+N-C7H16=>HO2CHO+L-C7H15 2.800E+13 0.00 1.769E+04 DUPLICATE HO2CHO+L-C7H15=>O2CHO+N-C7H16 1.637E+11 0.08 6.557E+03 DUPLICATE N-C7H16=N-C3H7+C4H9-1 1.000E+28 -3.80 9.000E+04 Rev / 1.340E+16 -1.33 4.106E+03 / N-C7H16=C2H5+C5H11-1 1.000E+28 -3.80 9.000E+04 Rev / 6.054E+14 -1.11 1.405E+03 / N-C7H16=>H+L-C7H15 1.000E+28 -3.80 9.700E+04 H+L-C7H15=>N-C7H16 1.866E+21 -2.91 -5.755E+03 DUPLICATE H+L-C7H15=>N-C7H16 8.550E+20 -2.63 -3.051E+03 DUPLICATE H+N-C7H16=>H2+L-C7H15 3.380E+08 2.00 7.700E+03 DUPLICATE H+N-C7H16=>H2+L-C7H15 2.455E+08 2.00 5.000E+03 DUPLICATE H2+L-C7H15=>H+N-C7H16 6.683E+02 2.94 9.150E+03 DUPLICATE H2+L-C7H15=>H+N-C7H16 6.675E+01 3.22 9.154E+03 DUPLICATE O+N-C7H16=>OH+L-C7H15 2.199E+06 2.40 5.500E+03 DUPLICATE O+N-C7H16=>OH+L-C7H15 1.175E+06 2.50 2.230E+03 DUPLICATE OH+L-C7H15=>O+N-C7H16 3.063E+00 3.29 5.208E+03 DUPLICATE OH+L-C7H15=>O+N-C7H16 2.251E-01 3.67 4.642E+03 DUPLICATE OH+N-C7H16=>H2O+L-C7H15 1.050E+10 0.97 1.590E+03 DUPLICATE H2O+L-C7H15=>OH+N-C7H16 1.329E+06 1.60 1.899E+04 DUPLICATE OH+N-C7H16=>H2O+L-C7H15 2.340E+08 1.61 -3.500E+01 DUPLICATE H2O+L-C7H15=>OH+N-C7H16 4.062E+03 2.51 2.007E+04 DUPLICATE CH3+N-C7H16=>CH4+L-C7H15 1.302E+12 0.00 1.160E+04 DUPLICATE CH3+N-C7H16=>CH4+L-C7H15 2.000E+12 0.00 9.500E+03 DUPLICATE CH4+L-C7H15=>CH3+N-C7H16 6.685E+10 0.13 1.603E+04 DUPLICATE CH4+L-C7H15=>CH3+N-C7H16 1.412E+10 0.41 1.664E+04 DUPLICATE HO2+N-C7H16=>H2O2+L-C7H15 1.608E+13 0.00 1.940E+04 DUPLICATE HO2+N-C7H16=>H2O2+L-C7H15 2.440E+13 0.00 1.700E+04 DUPLICATE H2O2+L-C7H15=>HO2+N-C7H16 3.935E+10 0.16 4.587E+03 DUPLICATE H2O2+L-C7H15=>HO2+N-C7H16 8.210E+09 0.43 4.891E+03 DUPLICATE O2+N-C7H16=>HO2+L-C7H15 2.502E+13 0.00 4.900E+04 DUPLICATE O2+N-C7H16=>HO2+L-C7H15 1.000E+14 0.00 4.760E+04 DUPLICATE HO2+L-C7H15=>O2+N-C7H16 8.090E+08 0.46 -3.318E+03 DUPLICATE HO2+L-C7H15=>O2+N-C7H16 4.446E+08 0.74 -2.014E+03 DUPLICATE C2H3+N-C7H16=>C2H4+L-C7H15 1.002E+12 0.00 1.800E+04 DUPLICATE C2H3+N-C7H16=>C2H4+L-C7H15 2.000E+12 0.00 1.680E+04 DUPLICATE C2H4+L-C7H15=>C2H3+N-C7H16 2.355E+11 -0.11 2.507E+04 DUPLICATE C2H4+L-C7H15=>C2H3+N-C7H16 6.464E+10 0.16 2.657E+04 DUPLICATE CH3O2+N-C7H16=>CH3O2H+L-C7H15 1.212E+13 0.00 2.043E+04 DUPLICATE CH3O2+N-C7H16=>CH3O2H+L-C7H15 2.020E+13 0.00 1.770E+04 DUPLICATE CH3O2H+L-C7H15=>CH3O2+N-C7H16 2.535E+08 0.60 8.396E+03 DUPLICATE CH3O2H+L-C7H15=>CH3O2+N-C7H16 5.808E+07 0.88 8.370E+03 DUPLICATE C2H4+C5H11-1=>L-C7H15 8.500E+10 0.00 7.800E+03 L-C7H15=>C2H4+C5H11-1 7.938E+18 -2.09 3.121E+04 C3H6+C4H9-1=>L-C7H15 8.500E+10 0.00 7.800E+03 L-C7H15=>C3H6+C4H9-1 2.675E+18 -1.93 2.848E+04 N-C3H7+C4H8-1=>L-C7H15 8.500E+10 0.00 7.800E+03 L-C7H15=>N-C3H7+C4H8-1 1.976E+17 -1.75 2.978E+04 C2H5+C5H10-1=>L-C7H15 8.500E+10 0.00 7.800E+03 L-C7H15=>C2H5+C5H10-1 6.268E+19 -2.12 3.038E+04 H+L-C7H14=>L-C7H15 1.666E+13 0.00 2.900E+03 DUPLICATE H+L-C7H14=>L-C7H15 3.333E+12 0.00 1.200E+03 DUPLICATE L-C7H15=>H+L-C7H14 5.165E+14 -0.62 3.708E+04 DUPLICATE L-C7H15=>H+L-C7H14 5.927E+13 -0.34 3.809E+04 DUPLICATE L-C7H15=>H+L-C7H14 1.185E+14 -0.43 3.666E+04 DUPLICATE L-C7H15=>H+L-C7H14 1.226E+14 -0.36 3.673E+04 DUPLICATE C2H4+N-C3H7=C5H11-1 8.500E+10 0.00 7.800E+03 Rev / 1.500E+19 -2.18 3.051E+04 / C2H5+C3H6=C5H11-2 8.500E+10 0.00 7.800E+03 Rev / 9.054E+19 -2.26 3.064E+04 / H+C5H10-1=C5H11-1 1.000E+13 0.00 2.900E+03 Rev / 2.615E+15 -0.61 3.693E+04 / H+C5H10-1=C5H11-2 1.000E+13 0.00 1.200E+03 Rev / 2.427E+14 -0.35 3.809E+04 / C5H11-1=>C5H11-2 5.480E+08 1.62 3.876E+04 DUPLICATE C5H11-2=>C5H11-1 1.740E+07 2.01 4.128E+04 DUPLICATE C5H11-1=>C5H11-2 2.540E+09 0.35 1.976E+04 DUPLICATE C5H11-2=>C5H11-1 1.610E+08 0.74 2.228E+04 DUPLICATE O2+L-C7H15=>L-C7H15O2 2.000E+12 0.00 0.000E+00 L-C7H15O2=>O2+L-C7H15 2.660E+19 -1.76 3.533E+04 DUPLICATE L-C7H15O2=>O2+L-C7H15 1.355E+21 -2.06 3.582E+04 DUPLICATE L-C7H15O2=>R5-HEOOH-P 1.490E+12 0.00 2.790E+04 DUPLICATE L-C7H15O2=>R5-HEOOH-P 2.235E+12 0.00 2.970E+04 DUPLICATE R5-HEOOH-P=>L-C7H15O2 5.120E+11 -0.02 1.515E+04 DUPLICATE R5-HEOOH-P=>L-C7H15O2 2.871E+13 -0.57 1.567E+04 DUPLICATE L-C7H15O2=>R5-HEOOH-S 7.450E+12 0.00 2.790E+04 R5-HEOOH-S=>L-C7H15O2 4.938E+12 -0.27 1.666E+04 L-C7H15O2=>R6-HEOOH-P 1.240E+11 0.00 2.215E+04 DUPLICATE L-C7H15O2=>R6-HEOOH-P 1.853E+11 0.00 2.390E+04 DUPLICATE R6-HEOOH-P=>L-C7H15O2 4.261E+10 -0.02 9.402E+03 DUPLICATE R6-HEOOH-P=>L-C7H15O2 2.379E+12 -0.57 9.872E+03 DUPLICATE L-C7H15O2=>R6-HEOOH-S 4.960E+11 0.00 2.215E+04 R6-HEOOH-S=>L-C7H15O2 4.384E+11 -0.27 1.091E+04 L-C7H15O2=>R7-HEOOH-P 1.030E+10 0.00 1.935E+04 DUPLICATE L-C7H15O2=>R7-HEOOH-P 3.090E+10 0.00 2.110E+04 DUPLICATE R7-HEOOH-P=>L-C7H15O2 3.539E+09 -0.02 6.602E+03 DUPLICATE R7-HEOOH-P=>L-C7H15O2 3.969E+11 -0.57 7.072E+03 DUPLICATE L-C7H15O2=>R7-HEOOH-S 2.060E+10 0.00 1.935E+04 R7-HEOOH-S=>L-C7H15O2 2.731E+10 -0.27 8.110E+03 R7-HEOOH-P=>OH+R5-C7H14O 2.080E+09 0.00 6.500E+03 OH+R5-C7H14O=>R7-HEOOH-P 2.133E+09 0.43 4.393E+04 DUPLICATE OH+R5-C7H14O=>R7-HEOOH-P 1.470E+07 1.00 4.201E+04 DUPLICATE R7-HEOOH-S=>OH+R5-C7H14O 2.080E+09 0.00 6.500E+03 OH+R5-C7H14O=>R7-HEOOH-S 4.889E+08 0.71 4.310E+04 HO2+L-C7H14=>R5-HEOOH-P 6.666E+10 0.00 7.600E+03 R5-HEOOH-P=>HO2+L-C7H14 2.179E+18 -1.98 1.393E+04 DUPLICATE R5-HEOOH-P=>HO2+L-C7H14 1.587E+20 -2.54 1.584E+04 DUPLICATE HO2+L-C7H14=>R5-HEOOH-S 1.333E+11 0.00 1.100E+04 R5-HEOOH-S=>HO2+L-C7H14 1.638E+19 -2.33 1.891E+04 DUPLICATE R5-HEOOH-S=>HO2+L-C7H14 1.695E+19 -2.26 1.898E+04 DUPLICATE R6-HEOOH-S=>OH+CH3CHO+C5H10-1 1.666E+13 0.00 2.550E+04 R6-HEOOH-S=>OH+C4H8-1+C2H5CHO 1.666E+13 0.00 2.550E+04 R6-HEOOH-S=>OH+C3H6+N-C3H7CHO 1.666E+13 0.00 2.550E+04 O2+R5-HEOOH-P=>R5-HEOOHO2-P 2.000E+12 0.00 0.000E+00 R5-HEOOHO2-P=>O2+R5-HEOOH-P 3.536E+22 -2.40 3.769E+04 DUPLICATE R5-HEOOHO2-P=>O2+R5-HEOOH-P 4.856E+20 -1.83 3.577E+04 DUPLICATE O2+R5-HEOOH-S=>R5-HEOOHO2-S 2.000E+12 0.00 0.000E+00 R5-HEOOHO2-S=>O2+R5-HEOOH-S 2.448E+22 -2.30 3.731E+04 O2+R6-HEOOH-P=>R6-HEOOHO2-P 2.000E+12 0.00 0.000E+00 R6-HEOOHO2-P=>O2+R6-HEOOH-P 3.536E+22 -2.40 3.769E+04 DUPLICATE R6-HEOOHO2-P=>O2+R6-HEOOH-P 4.856E+20 -1.83 3.577E+04 DUPLICATE O2+R6-HEOOH-S=>R6-HEOOHO2-S 2.000E+12 0.00 0.000E+00 R6-HEOOHO2-S=>O2+R6-HEOOH-S 2.331E+22 -2.30 3.731E+04 O2+R7-HEOOH-P=>R7-HEOOHO2-P 2.000E+12 0.00 0.000E+00 R7-HEOOHO2-P=>O2+R7-HEOOH-P 3.536E+22 -2.40 3.769E+04 DUPLICATE R7-HEOOHO2-P=>O2+R7-HEOOH-P 2.436E+20 -1.83 3.577E+04 DUPLICATE O2+R7-HEOOH-S=>R7-HEOOHO2-S 2.000E+12 0.00 0.000E+00 R7-HEOOHO2-S=>O2+R7-HEOOH-S 2.796E+22 -2.30 3.731E+04 R5-HEOOHO2-P=>OH+R5-O-HEPOOH-P 7.450E+11 0.00 2.490E+04 DUPLICATE R5-HEOOHO2-P=>OH+R5-O-HEPOOH-P 1.490E+12 0.00 2.670E+04 DUPLICATE OH+R5-O-HEPOOH-P=>R5-HEOOHO2-P 4.965E+02 2.13 4.452E+04 DUPLICATE OH+R5-O-HEPOOH-P=>R5-HEOOHO2-P 8.705E+02 2.22 4.611E+04 DUPLICATE R5-HEOOHO2-S=>OH+R5-O-HEPOOH-S 1.490E+12 0.00 2.490E+04 OH+R5-O-HEPOOH-S=>R5-HEOOHO2-S 2.331E+02 2.19 4.645E+04 DUPLICATE OH+R5-O-HEPOOH-S=>R5-HEOOHO2-S 1.871E+02 2.19 5.070E+04 DUPLICATE OH+R5-O-HEPOOH-S=>R5-HEOOHO2-S 1.284E+02 2.31 4.640E+04 DUPLICATE R6-HEOOHO2-P=>OH+R6-O-HEPOOH-P 1.240E+11 0.00 2.090E+04 DUPLICATE R6-HEOOHO2-P=>OH+R6-O-HEPOOH-P 6.200E+10 0.00 1.915E+04 DUPLICATE OH+R6-O-HEPOOH-P=>R6-HEOOHO2-P 1.511E+02 1.97 4.307E+04 DUPLICATE OH+R6-O-HEPOOH-P=>R6-HEOOHO2-P 4.030E+01 2.14 4.489E+04 DUPLICATE R6-HEOOHO2-S=>OH+R6-O-HEPOOH-S 1.240E+11 0.00 1.915E+04 OH+R6-O-HEPOOH-S=>R6-HEOOHO2-S 7.750E+01 2.14 4.477E+04 DUPLICATE OH+R6-O-HEPOOH-S=>R6-HEOOHO2-S 2.076E+01 2.19 4.495E+04 DUPLICATE R7-HEOOHO2-P=>OH+R7-O-HEPOOH-P 1.030E+10 0.00 1.810E+04 DUPLICATE R7-HEOOHO2-P=>OH+R7-O-HEPOOH-P 5.150E+09 0.00 1.635E+04 DUPLICATE OH+R7-O-HEPOOH-P=>R7-HEOOHO2-P 1.255E+01 1.97 4.027E+04 DUPLICATE OH+R7-O-HEPOOH-P=>R7-HEOOHO2-P 3.348E+00 2.14 4.209E+04 DUPLICATE R7-HEOOHO2-S=>OH+R7-O-HEPOOH-S 1.030E+10 0.00 1.635E+04 OH+R7-O-HEPOOH-S=>R7-HEOOHO2-S 9.648E+00 2.14 4.197E+04 R5-O-HEPOOH-P=>OH+CH2O+N-C5H11CO 5.000E+15 0.00 4.300E+04 R5-O-HEPOOH-P=>OH+HCO+N-C5H11CHO 5.000E+15 0.00 4.300E+04 R5-O-HEPOOH-S=>OH+N-C3H7CHO+C2H5CO 2.500E+15 0.00 4.300E+04 R5-O-HEPOOH-S=>OH+N-C3H7CO+C2H5CHO 2.500E+15 0.00 4.300E+04 R6-O-HEPOOH-P=>OH+CH2O+N-C4H9COCH2 5.000E+15 0.00 4.300E+04 R6-O-HEPOOH-S=>OH+N-C3H7CHO+CH3COCH2 3.333E+15 0.00 4.300E+04 R6-O-HEPOOH-S=>OH+C2H5CHO+C2H5COCH2 3.333E+15 0.00 4.300E+04 R6-O-HEPOOH-S=>OH+CH3CHO+N-C3H7COCH2 3.333E+15 0.00 4.300E+04 R7-O-HEPOOH-P=>OH+CH2O+N-C3H7COC2H4-1 5.000E+15 0.00 4.300E+04 R7-O-HEPOOH-P=>OH+N-C3H7CHO+CH2CH2CHO 5.000E+15 0.00 4.300E+04 R7-O-HEPOOH-S=>OH+C2H5CHO+CH2CH2COCH3 5.000E+15 0.00 4.300E+04 R7-O-HEPOOH-S=>OH+CH3CHO+C2H4COC2H5-1 5.000E+15 0.00 4.300E+04 OH+R5-C7H14O=>CH2CHO+H2O+C5H10-1 9.500E+07 1.61 -3.500E+01 OH+R5-C7H14O=>C2H4+H2O+N-C3H7COCH2 4.420E+09 1.00 -1.490E+02 OH+R5-C7H14O=>C4H8-1+H2O+CH3COCH2 4.420E+09 1.00 -1.490E+02 OH+R5-C7H14O=>C3H6+H2O+C2H5COCH2 4.420E+09 1.00 -1.490E+02 HO2+R5-C7H14O=>H2O2+CH2CHO+C5H10-1 3.000E+04 2.60 1.391E+04 HO2+R5-C7H14O=>H2O2+C2H4+N-C3H7COCH2 5.400E+03 2.55 1.053E+04 HO2+R5-C7H14O=>H2O2+C4H8-1+CH3COCH2 5.400E+03 2.55 1.053E+04 HO2+R5-C7H14O=>H2O2+C3H6+C2H5COCH2 5.400E+03 2.55 1.053E+04 O+L-C7H14=>CH2CHO+C5H11-1 6.666E+09 0.00 -1.050E+03 O+L-C7H14=>CH3CHO+C5H10-1 6.666E+09 0.00 -1.050E+03 O+L-C7H14=>C4H8-1+C2H5CHO 6.666E+09 0.00 -1.050E+03 OH+L-C7H14=>CH3CHO+C5H11-1 6.666E+09 0.00 -4.000E+03 OH+L-C7H14=>C4H9-1+C2H5CHO 6.666E+09 0.00 -4.000E+03 L-C7H14=>C3H5+C4H9-1 8.333E+15 0.00 7.100E+04 C3H5+C4H9-1=>L-C7H14 2.773E+07 1.64 6.829E+03 DUPLICATE C3H5+C4H9-1=>L-C7H14 2.773E+07 1.55 3.704E+03 DUPLICATE L-C7H14=>N-C3H7+C4H7 1.250E+15 0.00 7.100E+04 N-C3H7+C4H7=>L-C7H14 1.857E+06 2.15 -1.284E+04 DUPLICATE N-C3H7+C4H7=>L-C7H14 1.857E+06 2.06 -1.597E+04 DUPLICATE N-C3H7+C4H7=>L-C7H14 1.284E+06 2.14 -1.590E+04 DUPLICATE O+C5H10-1=>CH3CO+N-C3H7 2.000E+10 0.00 -1.050E+03 OH+C5H10-1=>CH2O+C4H9-1 2.000E+10 0.00 -4.000E+03 C5H10-1=C2H5+C3H5 1.250E+16 0.00 7.100E+04 Rev / 3.357E+06 1.97 4.672E+03 / C5H10-1=CH3+C4H7 1.250E+16 0.00 7.100E+04 Rev / 1.229E+06 2.04 -1.581E+04 / O2+N-C5H11CHO=HO2+N-C5H11CO 2.000E+13 0.50 4.220E+04 Rev / 1.760E+10 0.96 2.003E+03 / OH+N-C5H11CHO=H2O+N-C5H11CO 1.500E+13 0.00 0.000E+00 Rev / 5.168E+10 0.62 2.952E+04 / H+N-C5H11CHO=H2+N-C5H11CO 4.000E+13 0.00 4.200E+03 Rev / 2.153E+09 0.94 1.777E+04 / O+N-C5H11CHO=OH+N-C5H11CO 5.000E+12 0.00 1.790E+03 Rev / 1.896E+08 0.88 1.362E+04 / HO2+N-C5H11CHO=H2O2+N-C5H11CO 2.800E+12 0.00 1.360E+04 Rev / 1.865E+11 0.15 1.091E+04 / CH3+N-C5H11CHO=CH4+N-C5H11CO 1.700E+12 0.00 8.440E+03 Rev / 2.376E+12 0.12 2.499E+04 / CH3O2+N-C5H11CHO=CH3O2H+N-C5H11CO 1.000E+12 0.00 9.500E+03 Rev / 5.692E+08 0.59 9.587E+03 / N-C5H11CO=CO+C5H11-1 1.000E+11 0.00 9.600E+03 Rev / 7.411E+02 1.93 -1.322E+03 / O2+N-C3H7CHO=HO2+N-C3H7CO 2.000E+13 0.50 4.220E+04 Rev / 2.299E+10 0.92 2.091E+03 / OH+N-C3H7CHO=H2O+N-C3H7CO 1.500E+13 0.00 0.000E+00 Rev / 6.750E+10 0.59 2.961E+04 / H+N-C3H7CHO=H2+N-C3H7CO 4.000E+13 0.00 4.200E+03 Rev / 2.811E+09 0.91 1.786E+04 / O+N-C3H7CHO=OH+N-C3H7CO 5.000E+12 0.00 1.790E+03 Rev / 2.476E+08 0.85 1.371E+04 / HO2+N-C3H7CHO=H2O2+N-C3H7CO 2.800E+12 0.00 1.360E+04 Rev / 2.436E+11 0.12 1.100E+04 / CH3+N-C3H7CHO=CH4+N-C3H7CO 1.700E+12 0.00 8.440E+03 Rev / 3.103E+12 0.09 2.508E+04 / CH3O2+N-C3H7CHO=CH3O2H+N-C3H7CO 1.000E+12 0.00 9.500E+03 Rev / 7.433E+08 0.56 9.675E+03 / N-C3H7CO=N-C3H7+CO 1.000E+11 0.00 9.600E+03 Rev / 2.421E+03 2.01 -7.239E+02 / N-C3H7COC2H4-1=C2H4+N-C3H7CO 5.398E+17 -1.45 2.604E+04 Rev / 3.945E+09 0.54 7.028E+03 / N-C3H7COCH2=CH2CO+N-C3H7 1.226E+18 -1.40 4.345E+04 Rev / 1.811E+07 1.18 1.125E+04 / O2+C2H5CHO=HO2+C2H5CO 2.000E+13 0.50 4.220E+04 Rev / 1.640E+10 0.96 1.981E+03 / OH+C2H5CHO=H2O+C2H5CO 1.500E+13 0.00 2.000E+03 Rev / 4.815E+10 0.63 3.150E+04 / H+C2H5CHO=H2+C2H5CO 3.980E+13 0.00 4.200E+03 Rev / 1.996E+09 0.95 1.775E+04 / O+C2H5CHO=OH+C2H5CO 5.010E+12 0.00 1.790E+03 Rev / 1.770E+08 0.89 1.360E+04 / HO2+C2H5CHO=H2O2+C2H5CO 1.000E+12 0.00 1.100E+04 Rev / 6.207E+10 0.16 8.286E+03 / CH3+C2H5CHO=CH4+C2H5CO 7.586E+11 0.00 8.000E+03 Rev / 9.877E+11 0.13 2.453E+04 / CH3O2+C2H5CHO=CH3O2H+C2H5CO 2.800E+12 0.00 1.360E+04 Rev / 1.485E+09 0.60 1.366E+04 / C2H3+C2H5CHO=C2H4+C2H5CO 1.700E+12 0.00 8.440E+03 Rev / 1.013E+13 -0.11 2.760E+04 / N-C3H7+C2H5CHO=C3H8+C2H5CO 1.700E+12 0.00 8.440E+03 Rev / 9.278E+11 0.05 1.945E+04 / C3H5+C2H5CHO=C3H6+C2H5CO 1.700E+12 0.00 8.440E+03 Rev / 2.731E+09 0.84 -1.838E+03 / C2H5CO=C2H5+CO 1.000E+11 0.00 1.000E+04 Rev / 7.151E+01 2.21 -3.608E+02 / C2H5CHO=HCO+C2H5 7.000E+15 0.00 8.500E+04 Rev / 1.131E+04 2.49 2.869E+02 / O2+C2H5COCH3=HO2+C2H5COCH2 2.050E+13 0.00 4.915E+04 Rev / 1.740E+13 2.16 7.886E+03 / OH+C2H5COCH3=H2O+C2H5COCH2 5.100E+11 0.00 1.192E+03 Rev / 1.695E+12 2.33 2.964E+04 / H+C2H5COCH3=H2+C2H5COCH2 9.300E+12 0.00 6.357E+03 Rev / 4.828E+11 2.64 1.886E+04 / O+C2H5COCH3=OH+C2H5COCH2 5.000E+12 0.00 5.962E+03 Rev / 1.829E+11 2.59 1.672E+04 / HO2+C2H5COCH3=>H2O2+C2H5COCH2 2.380E+04 2.55 1.469E+04 H2O2+C2H5COCH2=>HO2+C2H5COCH3 1.520E+07 4.13 1.289E+04 CH3+C2H5COCH3=CH4+C2H5COCH2 1.620E+11 0.00 9.630E+03 Rev / 2.184E+14 1.83 2.512E+04 / CH3O2+C2H5COCH3=CH3O2H+C2H5COCH2 3.010E+12 0.00 1.758E+04 Rev / 1.653E+12 2.30 1.660E+04 / C2H3+C2H5COCH3=C2H4+C2H5COCH2 6.150E+10 0.00 4.278E+03 Rev / 3.795E+14 1.59 2.240E+04 / C2H5COCH2=CH2CO+C2H5 1.570E+13 0.00 3.000E+04 Rev / 1.945E+03 2.39 -1.663E+03 / O2+C2H5COCH3=HO2+CH2CH2COCH3 2.050E+13 0.00 5.131E+04 Rev / 8.733E+12 2.16 3.850E+03 / OH+C2H5COCH3=H2O+CH2CH2COCH3 5.100E+11 0.00 1.192E+03 Rev / 8.506E+11 2.33 2.345E+04 / H+C2H5COCH3=H2+CH2CH2COCH3 9.160E+06 2.00 7.700E+03 Rev / 2.386E+05 4.64 1.401E+04 / O+C2H5COCH3=OH+CH2CH2COCH3 2.250E+13 0.00 7.700E+03 Rev / 4.129E+11 2.59 1.227E+04 / HO2+C2H5COCH3=>H2O2+CH2CH2COCH3 2.380E+04 2.55 1.649E+04 H2O2+CH2CH2COCH3=>HO2+C2H5COCH3 7.626E+06 4.13 8.483E+03 CH3+C2H5COCH3=CH4+CH2CH2COCH3 3.190E+01 3.17 7.172E+03 Rev / 2.158E+04 5.00 1.646E+04 / CH3O2+C2H5COCH3=CH3O2H+CH2CH2COCH3 3.010E+12 0.00 1.938E+04 Rev / 8.293E+11 2.30 1.220E+04 / C2H3+C2H5COCH3=C2H4+CH2CH2COCH3 5.000E+11 0.00 1.040E+04 Rev / 1.548E+15 1.59 2.232E+04 / CH2CH2COCH3=CH3CO+C2H4 5.970E+12 0.00 2.073E+04 Rev / 1.655E+04 2.23 4.372E+03 / O2+C2H5COCH3=HO2+CH3CHCOCH3 1.550E+13 0.00 4.197E+04 Rev / 1.201E+12 2.46 6.314E+03 / OH+C2H5COCH3=H2O+CH3CHCOCH3 5.100E+11 0.00 1.192E+03 Rev / 1.547E+11 2.63 3.525E+04 / HO2+C2H5COCH3=>H2O2+CH3CHCOCH3 2.000E+11 0.00 8.698E+03 H2O2+CH3CHCOCH3=>HO2+C2H5COCH3 8.375E+12 1.92 1.239E+04 O+C2H5COCH3=OH+CH3CHCOCH3 3.070E+13 0.00 3.400E+03 Rev / 1.025E+11 2.89 1.977E+04 / H+C2H5COCH3=H2+CH3CHCOCH3 4.460E+06 2.00 3.200E+03 Rev / 2.113E+04 4.95 2.131E+04 / CH3+C2H5COCH3=CH4+CH3CHCOCH3 1.740E+00 3.46 3.680E+03 Rev / 2.141E+02 5.59 2.478E+04 / CH3O2+C2H5COCH3=CH3O2H+CH3CHCOCH3 2.000E+12 0.00 1.525E+04 Rev / 1.002E+11 2.60 1.988E+04 / C2H3+C2H5COCH3=C2H4+CH3CHCOCH3 3.000E+11 0.00 3.400E+03 Rev / 1.690E+14 1.89 2.713E+04 / CH2CH2CHO=HCO+C2H4 1.000E+14 0.00 2.300E+04 Rev / 8.901E+06 1.86 3.545E+03 / C2H4COC2H5-1=C2H4+C2H5CO 1.548E+17 -1.46 2.784E+04 Rev / 1.133E+09 0.53 8.837E+03 / N-C4H9COCH2=CH2CO+C4H9-1 8.279E+17 -1.13 4.300E+04 Rev / 5.575E+06 1.25 1.313E+04 / CH3COCH2=CH3+CH2CO 2.000E+14 0.00 3.100E+04 Rev / 1.542E+05 2.11 -1.065E+03 / C2H5O2=C2H5+O2 4.930E+50 -11.50 4.225E+04 Rev / 5.501E+41 -9.42 8.550E+03 / C2H5O2=HO2+C2H4 9.122E+31 -6.88 3.390E+04 Rev / 5.821E+23 -4.94 1.307E+04 / CH3O2+C2H5=CH3O+C2H5O 1.900E+12 0.00 -1.200E+03 Rev / 3.511E+10 0.92 3.326E+04 / HO2+C2H5=OH+C2H5O 3.200E+13 0.00 0.000E+00 Rev / 7.963E+13 0.26 2.424E+04 / C2H5O2=C2H4O2H 5.640E+47 -11.44 3.732E+04 Rev / 4.603E+46 -11.54 2.326E+04 / C2H4O2H=HO2+C2H4 9.290E+30 -6.10 1.993E+04 Rev / 7.264E+23 -4.06 1.316E+04 / C2H4O2H=C2H5+O2 2.150E+37 -8.21 2.802E+04 Rev / 2.939E+29 -6.03 8.378E+03 / CH2CHO+O2=HO2+CH2CO 1.810E+11 0.00 1.840E+03 Rev / 8.326E+10 0.09 1.723E+04 / CH2CHO=CH3CO 1.000E+13 0.00 4.710E+04 Rev / 9.033E+12 0.07 5.872E+04 / N-C3H7O2=HO2+C3H6 2.453E+25 -4.48 3.261E+04 Rev / 7.763E+16 -2.40 1.456E+04 / N-C3H7O2=N-C3H7+O2 1.009E+18 -1.16 3.457E+04 Rev / 3.630E+10 0.72 9.162E+02 / CH3O2+C2H4=CH3O2H+C2H3 1.130E+13 0.00 3.043E+04 Rev / 1.005E+09 0.72 1.133E+04 / CH3O2+C3H6=CH3O2H+C3H5 3.240E+11 0.00 1.490E+04 Rev / 1.069E+11 -0.23 2.524E+04 / CH3O2+C3H8=CH3O2H+N-C3H7 1.700E+13 0.00 2.046E+04 Rev / 1.652E+10 0.55 9.511E+03 / CH3O2+CH3CHO=CH3O2H+CH3CO 2.800E+12 0.00 1.360E+04 Rev / 1.620E+09 0.62 1.645E+04 / CH3O2+CH4=CH3+CH3O2H 1.120E+13 0.00 2.464E+04 Rev / 4.561E+09 0.47 8.173E+03 / I-C3H7O2=HO2+C3H6 2.627E+36 -7.86 3.662E+04 Rev / 2.022E+27 -5.67 1.450E+04 / C2H2+A1C2H*=A1C2HAC 1.000E+13 0.00 0.000E+00 Rev / 7.928E+19 -1.60 4.331E+04 / A1C2HAC=A2-X 1.000E+10 0.00 0.000E+00 Rev / 2.090E+14 -0.33 4.825E+04 / O2+A1C2HAC=>2HCO+A1C2H* 1.000E+13 0.00 0.000E+00 H+A2-X=A2 1.000E+13 0.00 0.000E+00 Rev / 2.227E+18 -0.90 1.161E+05 / H+A2=H2+A2-X 1.000E+14 0.00 0.000E+00 Rev / 1.189E+09 0.95 -1.187E+04 / OH+A2=H2O+A2-X 2.100E+13 0.00 1.910E+01 Rev / 1.599E+10 0.63 4.095E+03 / C2H+A2=C2H2+A2-X 2.000E+13 0.00 0.000E+00 Rev / 1.274E+13 -0.16 1.826E+04 / CH3+A2=CH4+A2-X 2.000E+13 0.00 0.000E+00 Rev / 6.176E+12 0.13 -8.889E+03 / OH+A2=>HCO+CH2-3+A1C2H 1.000E+13 0.00 0.000E+00 O2+A2-X=>HCO+A1C2H+CO 1.000E+13 0.00 0.000E+00 C2H2+A2-X=H+A2R5 1.000E+13 0.00 0.000E+00 Rev / 2.943E+20 -1.26 3.956E+04 / H+A2R5-=A2R5 1.000E+13 0.00 0.000E+00 Rev / 1.114E+18 -0.90 1.161E+05 / H+A2R5=H2+A2R5- 1.000E+14 0.00 0.000E+00 Rev / 2.379E+09 0.95 -1.187E+04 / OH+A2R5=H2O+A2R5- 2.100E+13 0.00 1.910E+01 Rev / 3.198E+10 0.63 4.094E+03 / C2H+A2R5=C2H2+A2R5- 2.000E+13 0.00 0.000E+00 Rev / 2.548E+13 -0.16 1.825E+04 / CH3+A2R5=CH4+A2R5- 2.000E+13 0.00 0.000E+00 Rev / 1.235E+13 0.13 -8.889E+03 / H+A2R5C2H=C2H2+A2R5- 1.000E+14 0.00 0.000E+00 Rev / 5.769E+07 1.23 -8.984E+03 / C2H+A2R5C2H=C4H2+A2R5- 2.000E+13 0.00 0.000E+00 Rev / 1.828E+12 0.11 2.223E+04 / H+A2R5C2H*=A2R5C2H 1.000E+13 0.00 0.000E+00 Rev / 5.568E+17 -0.90 1.161E+05 / H+A2R5C2H=H2+A2R5C2H* 1.000E+14 0.00 0.000E+00 Rev / 4.757E+09 0.95 -1.187E+04 / OH+A2R5C2H=H2O+A2R5C2H* 2.100E+13 0.00 1.910E+01 Rev / 6.395E+10 0.63 4.094E+03 / C2H+A2R5C2H=C2H2+A2R5C2H* 2.000E+13 0.00 0.000E+00 Rev / 5.096E+13 -0.16 1.825E+04 / CH3+A2R5C2H=CH4+A2R5C2H* 2.000E+13 0.00 0.000E+00 Rev / 2.471E+13 0.13 -8.889E+03 / C2H2+A2R5C2H*=ANC2HAC 1.000E+13 0.00 0.000E+00 Rev / 3.594E+20 -1.72 4.860E+04 / ANC2HAC=A3R5- 1.000E+10 0.00 0.000E+00 Rev / 2.090E+14 -0.33 5.045E+04 / H+A3R5-=A3R5 1.000E+13 0.00 0.000E+00 Rev / 5.568E+17 -0.90 1.161E+05 / H+A3R5=H2+A3R5- 1.000E+14 0.00 0.000E+00 Rev / 4.757E+09 0.95 -1.187E+04 / OH+A3R5=H2O+A3R5- 2.100E+13 0.00 1.910E+01 Rev / 6.395E+10 0.63 4.096E+03 / C2H+A3R5=C2H2+A3R5- 2.000E+13 0.00 0.000E+00 Rev / 5.096E+13 -0.16 1.826E+04 / CH3+A3R5=CH4+A3R5- 2.000E+13 0.00 0.000E+00 Rev / 2.470E+13 0.13 -8.887E+03 / OH+A2R5=>HCCO+A2 1.000E+13 0.00 0.000E+00 O2+A2R5-=>2CO+A2-X 1.000E+13 0.00 0.000E+00 OH+A2R5C2H=>HCCO+A2R5 1.000E+13 0.00 0.000E+00 O2+A2R5C2H*=>2CO+A2R5- 1.000E+13 0.00 0.000E+00 O2+ANC2HAC=>2HCO+A2R5C2H* 1.000E+13 0.00 0.000E+00 OH+A3R5=>HCO+CH2-3+A2R5C2H 1.000E+13 0.00 0.000E+00 O2+A3R5-=>HCO+CO+A2R5C2H 1.000E+13 0.00 0.000E+00 N+NO=O+N2 2.700E+13 0.00 3.550E+02 Rev / 5.365E+13 0.10 7.546E+04 / O2+N=O+NO 9.000E+09 1.00 6.500E+03 Rev / 8.260E+08 1.10 3.792E+04 / OH+N=H+NO 3.360E+13 0.00 3.850E+02 Rev / 1.245E+15 -0.31 4.899E+04 / CO2+N=CO+NO 3.000E+12 0.00 1.130E+04 Rev / 1.784E+07 0.98 3.381E+04 / HO2+NO=OH+NO2 2.110E+12 0.00 -4.800E+02 Rev / 3.049E+13 -0.15 6.151E+03 / O+NO+M=NO2+M 1.060E+20 -1.41 0.000E+00 Rev / 2.679E+25 -2.40 7.425E+04 / CH4/ 2.00/CO/ 1.50/CO2/ 2.00/H2/ 2.00/H2O/ 6.00/AR/ 0.70/ O+NO2=O2+NO 3.900E+12 0.00 -2.400E+02 Rev / 1.163E+10 0.57 4.515E+04 / H+NO2=OH+NO 1.320E+14 0.00 3.600E+02 Rev / 9.747E+08 0.98 2.857E+04 / END