1c4762a1bSJed Brown! A 40-species skeletal mechanism for ethanol/air, with NO formation 2c4762a1bSJed Brown! 3c4762a1bSJed Brown! References: 4c4762a1bSJed Brown! Zhang H., Hawkes E.R., Kook S., Luo Z., Lu T.F., 5c4762a1bSJed Brown! "Computational investigations of the effects of thermal stratification in an ethanol-fuelled HCCI engine," 6c4762a1bSJed Brown! Fuel, submitted. 7c4762a1bSJed Brown! 8c4762a1bSJed Brown! Bhagatwala A., Chen J.H., Lu T.F., 9*36186e57Sprj-! "Direct numerical simulations of HCCI/SACI with ethanol," 10c4762a1bSJed Brown! Combust. Flame, 161 (7) 1826-1841, 2014. 11c4762a1bSJed Brown! 12c4762a1bSJed Brown 13c4762a1bSJed BrownELEMENTS 14c4762a1bSJed BrownC H N O AR HE 15c4762a1bSJed BrownEND 16c4762a1bSJed BrownSPECIES 17c4762a1bSJed BrownH H2 O O2 18c4762a1bSJed BrownOH H2O HO2 H2O2 19c4762a1bSJed BrownCO CO2 CH2O HCO 20c4762a1bSJed BrownCH4 CH3 CH2 CH2(S) 21c4762a1bSJed BrownCH3O CH2CHO CH2OH C2H4 22c4762a1bSJed BrownC2H3 C2H5 23c4762a1bSJed Brown!=================== ethanol 24c4762a1bSJed BrownHO2CHO O2CHO OCHO CH3O2H CH3O2 CH3CHO 25c4762a1bSJed BrownCH3CO C2H5OH C2H5O 26c4762a1bSJed BrownPC2H4OH SC2H4OH O2C2H4OH C2H3O1-2 27c4762a1bSJed BrownN NO NO2 N2O 28c4762a1bSJed Brown!==========Methane 29c4762a1bSJed BrownC CH CH3OH C2H2 C2H6 HCCO CH2CO N2 30c4762a1bSJed Brown 31c4762a1bSJed BrownREACTIONS 32c4762a1bSJed Brown!R1 33c4762a1bSJed BrownH+O2<=>O+OH 3.547E+15 -0.41 1.660E+04 34c4762a1bSJed Brown!R2 35c4762a1bSJed BrownO+H2<=>H+OH 5.080E+04 2.67 6.292E+03 36c4762a1bSJed Brown!R3 37c4762a1bSJed BrownOH+H2<=>H+H2O 2.160E+08 1.51 3.430E+03 38c4762a1bSJed Brown!R4 39c4762a1bSJed BrownO+H2O<=>OH+OH 2.970E+06 2.02 1.340E+04 40c4762a1bSJed Brown!R5 41c4762a1bSJed BrownH2+M<=>H+H+M 4.577E+19 -1.40 1.044E+05 42c4762a1bSJed BrownH2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ 43c4762a1bSJed Brown!R6 44c4762a1bSJed BrownO2+M<=>O+O+M 4.420E+17 -0.63 1.189E+05 45c4762a1bSJed BrownH2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ CH4/2/ 46c4762a1bSJed Brown!R7 47c4762a1bSJed BrownOH+M<=>O+H+M 9.780E+17 -0.74 1.021E+05 48c4762a1bSJed BrownH2/2.5/ H2O/12/ CO/1.5/ CO2/2/ CH4/2/ 49c4762a1bSJed Brown!R8 50c4762a1bSJed BrownH2O+M<=>H+OH+M 1.907E+23 -1.83 1.185E+05 51c4762a1bSJed BrownH2/.73/ H2O/12/ CH4/2/ 52c4762a1bSJed Brown!R9 53c4762a1bSJed BrownH+O2(+M)<=>HO2(+M) 1.475E+12 0.60 0.000E+00 54c4762a1bSJed BrownLOW / 3.4820E+16 -4.1100E-01 -1.1150E+03 / 55c4762a1bSJed BrownTROE / 5.0000E-01 1.0000E-30 1.0000E+30 1.0000E+30 / !TROE FALL-OFF REACTION 56c4762a1bSJed BrownH2/1.3/ H2O/14/ CO/1.9/ CO2/3.8/ CH4/2/ 57c4762a1bSJed Brown!R10 58c4762a1bSJed BrownHO2+H<=>H2+O2 1.660E+13 0.00 8.230E+02 59c4762a1bSJed Brown!R11 60c4762a1bSJed BrownHO2+H<=>OH+OH 7.079E+13 0.00 2.950E+02 61c4762a1bSJed Brown!R12 62c4762a1bSJed BrownHO2+O<=>OH+O2 3.250E+13 0.00 0.000E+00 63c4762a1bSJed Brown!R13 64c4762a1bSJed BrownHO2+OH<=>H2O+O2 2.890E+13 0.00 -4.970E+02 65c4762a1bSJed Brown!R14 66c4762a1bSJed BrownH2O2+O2<=>HO2+HO2 1.136E+16 -0.35 4.973E+04 67c4762a1bSJed BrownDUP 68c4762a1bSJed Brown!R15 69c4762a1bSJed BrownH2O2+O2<=>HO2+HO2 2.141E+13 -0.35 3.728E+04 70c4762a1bSJed BrownDUP 71c4762a1bSJed Brown!R16 72c4762a1bSJed BrownH2O2(+M)<=>OH+OH(+M) 2.951E+14 0.00 4.843E+04 73c4762a1bSJed BrownLOW / 1.2020E+17 0.0000E+00 4.5500E+04 / 74c4762a1bSJed BrownTROE / 5.0000E-01 1.0000E-30 1.0000E+30 1.0000E+30 / !TROE FALL-OFF REACTION 75c4762a1bSJed BrownH2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ CH4/2/ 76c4762a1bSJed Brown!R17 77c4762a1bSJed BrownH2O2+H<=>H2O+OH 2.410E+13 0.00 3.970E+03 78c4762a1bSJed Brown!R18 79c4762a1bSJed BrownH2O2+H<=>H2+HO2 2.150E+10 1.00 6.000E+03 80c4762a1bSJed Brown!R19 81c4762a1bSJed BrownH2O2+O<=>OH+HO2 9.550E+06 2.00 3.970E+03 82c4762a1bSJed Brown!R20 83c4762a1bSJed BrownH2O2+OH<=>H2O+HO2 2.000E+12 0.00 4.272E+02 84c4762a1bSJed BrownDUP 85c4762a1bSJed Brown!R21 86c4762a1bSJed BrownH2O2+OH<=>H2O+HO2 1.700E+18 0.00 2.941E+04 87c4762a1bSJed BrownDUP 88c4762a1bSJed Brown!R22 89c4762a1bSJed BrownCO+O(+M)<=>CO2(+M) 1.800E+10 0.00 2.384E+03 90c4762a1bSJed BrownLOW / 1.3500E+24 -2.7880E+00 4.1910E+03 / !LINDEMANN FALL-OFF REACTION 91c4762a1bSJed BrownH2/2/ O2/6/ H2O/6/ CO/1.5/ CO2/3.5/ CH4/2/ 92c4762a1bSJed Brown!R23 93c4762a1bSJed BrownCO+O2<=>CO2+O 1.050E+12 0.00 4.254E+04 94c4762a1bSJed Brown!R24 95c4762a1bSJed BrownCO+OH<=>CO2+H 1.784E+05 1.89 -1.158E+03 96c4762a1bSJed Brown!R25 97c4762a1bSJed BrownCO+HO2<=>CO2+OH 3.010E+13 0.00 2.300E+04 98c4762a1bSJed Brown!R26 99c4762a1bSJed BrownHCO+M<=>H+CO+M 4.750E+11 0.66 1.487E+04 100c4762a1bSJed BrownH2/2/ H2O/12/ CO/1.5/ CO2/2/ CH4/2/ 101c4762a1bSJed Brown!R27 102c4762a1bSJed BrownHCO+O2<=>CO+HO2 7.580E+12 0.00 4.100E+02 103c4762a1bSJed Brown!R28 104c4762a1bSJed BrownHCO+H<=>CO+H2 7.340E+13 0.00 0.000E+00 105c4762a1bSJed Brown!R29 106c4762a1bSJed BrownHCO+O<=>CO+OH 3.020E+13 0.00 0.000E+00 107c4762a1bSJed Brown!R30 108c4762a1bSJed BrownHCO+O<=>CO2+H 3.000E+13 0.00 0.000E+00 109c4762a1bSJed Brown!R31 110c4762a1bSJed BrownHCO+OH<=>CO+H2O 1.020E+14 0.00 0.000E+00 111c4762a1bSJed Brown!R32 112c4762a1bSJed BrownHCO+CH3<=>CH4+CO 2.650E+13 0.00 0.000E+00 113c4762a1bSJed Brown!R33 114c4762a1bSJed BrownHCO+HO2<=>CH2O+O2 2.499E+14 -0.06 1.392E+04 115c4762a1bSJed Brown!R34 116c4762a1bSJed BrownHCO+HO2<=>CO2+H+OH 3.000E+13 0.00 0.000E+00 117c4762a1bSJed Brown!R35 118c4762a1bSJed BrownO2CHO<=>HCO+O2 1.396E+29 -4.55 4.630E+04 119c4762a1bSJed Brown!R36 120c4762a1bSJed BrownCH2O+O2CHO<=>HCO+HO2CHO 1.990E+12 0.00 1.166E+04 121c4762a1bSJed Brown!R37 122c4762a1bSJed BrownHO2CHO<=>OCHO+OH 5.010E+14 0.00 4.015E+04 123c4762a1bSJed Brown!R38 124c4762a1bSJed BrownH+CO2<=>OCHO 7.500E+13 0.00 2.900E+04 125c4762a1bSJed Brown!R39 126c4762a1bSJed BrownCH2O+CO<=>HCO+HCO 9.186E+13 0.37 7.304E+04 127c4762a1bSJed Brown!R40 128c4762a1bSJed BrownHCO+HCO<=>H2+CO+CO 3.000E+12 0.00 0.000E+00 129c4762a1bSJed Brown!R41 130c4762a1bSJed BrownHCO+H(+M)<=>CH2O(+M) 1.090E+12 0.48 -2.600E+02 131c4762a1bSJed BrownLOW / 1.3500E+24 -2.5700E+00 1.4250E+03 / 132c4762a1bSJed BrownTROE / 7.8240E-01 2.7100E+02 2.7550E+03 6.5700E+03 / !TROE FALL-OFF REACTION 133c4762a1bSJed BrownH2/2/ H2O/6/ CO/1.5/ CO2/2/ CH4/2/ 134c4762a1bSJed Brown!R42 135c4762a1bSJed BrownCO+H2(+M)<=>CH2O(+M) 4.300E+07 1.50 7.960E+04 136c4762a1bSJed BrownLOW / 5.0700E+27 -3.4200E+00 8.4348E+04 / 137c4762a1bSJed BrownTROE / 9.3200E-01 1.9700E+02 1.5400E+03 1.0300E+04 / !TROE FALL-OFF REACTION 138c4762a1bSJed BrownH2/2/ H2O/6/ CO/1.5/ CO2/2/ CH4/2/ 139c4762a1bSJed Brown!R43 140c4762a1bSJed BrownCH2O+OH<=>HCO+H2O 7.820E+07 1.63 -1.055E+03 141c4762a1bSJed Brown!R44 142c4762a1bSJed BrownCH2O+H<=>HCO+H2 5.740E+07 1.90 2.740E+03 143c4762a1bSJed Brown!R45 144c4762a1bSJed BrownCH2O+O<=>HCO+OH 6.260E+09 1.15 2.260E+03 145c4762a1bSJed Brown!R46 146c4762a1bSJed BrownCH2O+CH3<=>HCO+CH4 3.830E+01 3.36 4.312E+03 147c4762a1bSJed Brown!R47 148c4762a1bSJed BrownCH2O+HO2<=>HCO+H2O2 7.100E-03 4.52 6.580E+03 149c4762a1bSJed Brown!R63 150c4762a1bSJed BrownCH3O(+M)<=>CH2O+H(+M) 6.800E+13 0.00 2.617E+04 151c4762a1bSJed BrownLOW / 1.8670E+25 -3.0000E+00 2.4307E+04 / 152c4762a1bSJed BrownTROE / 9.0000E-01 2.5000E+03 1.3000E+03 1.0000E+99 / !TROE FALL-OFF REACTION 153c4762a1bSJed BrownH2/2/ H2O/6/ CO/1.5/ CO2/2/ CH4/2/ 154c4762a1bSJed Brown!R64 155c4762a1bSJed BrownCH3O+O2<=>CH2O+HO2 4.380E-19 9.50 -5.501E+03 156c4762a1bSJed Brown!R67 157c4762a1bSJed BrownCH3O+CH3<=>CH2O+CH4 1.200E+13 0.00 0.000E+00 158c4762a1bSJed Brown!R68 159c4762a1bSJed BrownCH3O+H<=>CH2O+H2 2.000E+13 0.00 0.000E+00 160c4762a1bSJed Brown!R69 161c4762a1bSJed BrownCH3O+HO2<=>CH2O+H2O2 3.010E+11 0.00 0.000E+00 162c4762a1bSJed Brown!R70 163c4762a1bSJed BrownCH2O+H(+M)<=>CH2OH(+M) 5.400E+11 0.45 3.600E+03 164c4762a1bSJed BrownLOW / 1.2700E+32 -4.8200E+00 6.5300E+03 / 165c4762a1bSJed BrownTROE / 7.1870E-01 1.0300E+02 1.2910E+03 4.1600E+03 / !TROE FALL-OFF REACTION 166c4762a1bSJed BrownH2/2/ H2O/6/ CO/1.5/ CO2/2/ CH4/2/ 167c4762a1bSJed Brown!R71 168c4762a1bSJed BrownCH2OH+O2<=>CH2O+HO2 1.510E+15 -1.00 0.000E+00 169c4762a1bSJed BrownDUP 170c4762a1bSJed Brown!R72 171c4762a1bSJed BrownCH2OH+O2<=>CH2O+HO2 2.410E+14 0.00 5.017E+03 172c4762a1bSJed BrownDUP 173c4762a1bSJed Brown!R73 174c4762a1bSJed BrownCH2OH+H<=>CH2O+H2 6.000E+12 0.00 0.000E+00 175c4762a1bSJed Brown!R74 176c4762a1bSJed BrownCH2OH+HO2<=>CH2O+H2O2 1.200E+13 0.00 0.000E+00 177c4762a1bSJed Brown!R75 178c4762a1bSJed BrownCH2OH+HCO<=>CH2O+CH2O 1.800E+14 0.00 0.000E+00 179c4762a1bSJed Brown!R78 180c4762a1bSJed BrownOH+CH2OH<=>H2O+CH2O 2.400E+13 0.00 0.000E+00 181c4762a1bSJed Brown!R79 182c4762a1bSJed BrownO+CH2OH<=>OH+CH2O 4.200E+13 0.00 0.000E+00 183c4762a1bSJed Brown!R94 184c4762a1bSJed BrownCH3+H(+M)<=>CH4(+M) 1.270E+16 -0.60 3.830E+02 185c4762a1bSJed BrownLOW / 1.9816E+33 -4.7600E+00 2.4440E+03 / 186c4762a1bSJed BrownTROE / 7.8300E-01 7.4000E+01 2.9400E+03 6.9600E+03 / !TROE FALL-OFF REACTION 187c4762a1bSJed BrownH2/2/ H2O/6/ CO/1.5/ CO2/2/ CH4/2/ 188c4762a1bSJed Brown!R95 189c4762a1bSJed BrownCH4+H<=>CH3+H2 6.140E+05 2.50 9.587E+03 190c4762a1bSJed Brown!R96 191c4762a1bSJed BrownCH4+OH<=>CH3+H2O 5.830E+04 2.60 2.190E+03 192c4762a1bSJed Brown!R97 193c4762a1bSJed BrownCH4+O<=>CH3+OH 1.020E+09 1.50 8.600E+03 194c4762a1bSJed Brown!R98 195c4762a1bSJed BrownCH4+HO2<=>CH3+H2O2 1.130E+01 3.74 2.101E+04 196c4762a1bSJed Brown!R99 197c4762a1bSJed BrownCH4+CH2<=>CH3+CH3 2.460E+06 2.00 8.270E+03 198c4762a1bSJed Brown!R100 199c4762a1bSJed BrownCH3+OH<=>CH2O+H2 8.000E+09 0.50 -1.755E+03 200c4762a1bSJed Brown!R101 201c4762a1bSJed BrownCH3+OH<=>CH2(S)+H2O 4.508E+17 -1.34 1.417E+03 202c4762a1bSJed Brown!R102 203c4762a1bSJed BrownCH3+OH<=>CH3O+H 6.943E+07 1.34 1.120E+04 204c4762a1bSJed Brown!R103 205c4762a1bSJed BrownCH3+OH<=>CH2OH+H 3.090E+07 1.60 4.506E+03 206c4762a1bSJed Brown!R104 207c4762a1bSJed BrownCH3+OH<=>CH2+H2O 5.600E+07 1.60 5.420E+03 208c4762a1bSJed Brown!R105 209c4762a1bSJed BrownCH3+HO2<=>CH3O+OH 1.000E+12 0.27 -6.875E+02 210c4762a1bSJed Brown!R106 211c4762a1bSJed BrownCH3+HO2<=>CH4+O2 1.160E+05 2.23 -3.022E+03 212c4762a1bSJed Brown!R107 213c4762a1bSJed BrownCH3+O<=>CH2O+H 5.540E+13 0.05 -1.360E+02 214c4762a1bSJed Brown!R108 215c4762a1bSJed BrownCH3+O2<=>CH3O+O 7.546E+12 0.00 2.832E+04 216c4762a1bSJed Brown!R109 217c4762a1bSJed BrownCH3+O2<=>CH2O+OH 2.641E+00 3.28 8.105E+03 218c4762a1bSJed Brown!R110 219c4762a1bSJed BrownCH3+O2(+M)<=>CH3O2(+M) 7.812E+09 0.90 0.000E+00 220c4762a1bSJed BrownLOW / 6.8500E+24 -3.0000E+00 0.0000E+00 / 221c4762a1bSJed BrownTROE / 6.0000E-01 1.0000E+03 7.0000E+01 1.7000E+03 / !TROE FALL-OFF REACTION 222c4762a1bSJed Brown!R111 223c4762a1bSJed BrownCH3O2+CH2O<=>CH3O2H+HCO 1.990E+12 0.00 1.166E+04 224c4762a1bSJed Brown!R112 225c4762a1bSJed BrownCH4+CH3O2<=>CH3+CH3O2H 1.810E+11 0.00 1.848E+04 226c4762a1bSJed Brown!R114 227c4762a1bSJed BrownCH3O2+CH3<=>CH3O+CH3O 5.080E+12 0.00 -1.411E+03 228c4762a1bSJed Brown!R115 229c4762a1bSJed BrownCH3O2+HO2<=>CH3O2H+O2 2.470E+11 0.00 -1.570E+03 230c4762a1bSJed Brown!R117 231c4762a1bSJed BrownCH3O2+CH3O2<=>O2+CH3O+CH3O 1.400E+16 -1.61 1.860E+03 232c4762a1bSJed Brown!R118 233c4762a1bSJed BrownCH3O2+H<=>CH3O+OH 9.600E+13 0.00 0.000E+00 234c4762a1bSJed Brown!R119 235c4762a1bSJed BrownCH3O2+O<=>CH3O+O2 3.600E+13 0.00 0.000E+00 236c4762a1bSJed Brown!R121 237c4762a1bSJed BrownCH3O2H<=>CH3O+OH 6.310E+14 0.00 4.230E+04 238c4762a1bSJed Brown!R122 239c4762a1bSJed BrownCH2(S)<=>CH2 1.000E+13 0.00 0.000E+00 240c4762a1bSJed Brown!R123 241c4762a1bSJed BrownCH2(S)+CH4<=>CH3+CH3 1.600E+13 0.00 -5.700E+02 242c4762a1bSJed Brown!R124 243c4762a1bSJed BrownCH2(S)+O2<=>CO+OH+H 7.000E+13 0.00 0.000E+00 244c4762a1bSJed Brown!R125 245c4762a1bSJed BrownCH2(S)+H2<=>CH3+H 7.000E+13 0.00 0.000E+00 246c4762a1bSJed Brown!R126 247c4762a1bSJed BrownCH2(S)+H<=>CH2+H 3.000E+13 0.00 0.000E+00 248c4762a1bSJed Brown!R128 249c4762a1bSJed BrownCH2(S)+O<=>CO+H+H 3.000E+13 0.00 0.000E+00 250c4762a1bSJed Brown!R129 251c4762a1bSJed BrownCH2(S)+OH<=>CH2O+H 3.000E+13 0.00 0.000E+00 252c4762a1bSJed Brown!R130 253c4762a1bSJed BrownCH2(S)+CO2<=>CH2O+CO 3.000E+12 0.00 0.000E+00 254c4762a1bSJed Brown!R131 255c4762a1bSJed BrownCH2+H(+M)<=>CH3(+M) 2.500E+16 -0.80 0.000E+00 256c4762a1bSJed BrownLOW / 3.2000E+27 -3.1400E+00 1.2300E+03 / 257c4762a1bSJed BrownTROE / 6.8000E-01 7.8000E+01 1.9950E+03 5.5900E+03 / !TROE FALL-OFF REACTION 258c4762a1bSJed BrownH2/2/ H2O/6/ CO/1.5/ CO2/2/ CH4/2/ 259c4762a1bSJed Brown!R132 260c4762a1bSJed BrownCH2+O2<=>CH2O+O 2.400E+12 0.00 1.500E+03 261c4762a1bSJed Brown!R133 262c4762a1bSJed BrownCH2+O2<=>CO2+H+H 5.800E+12 0.00 1.500E+03 263c4762a1bSJed Brown!R134 264c4762a1bSJed BrownCH2+O2<=>CO+OH+H 5.000E+12 0.00 1.500E+03 265c4762a1bSJed Brown!R135 266c4762a1bSJed BrownCH2+O<=>CO+H+H 5.000E+13 0.00 0.000E+00 267c4762a1bSJed Brown!R159 268c4762a1bSJed BrownC2H4+H(+M)<=>C2H5(+M) 1.081E+12 0.45 1.822E+03 269c4762a1bSJed BrownLOW / 1.2000E+42 -7.6200E+00 6.9700E+03 / 270c4762a1bSJed BrownTROE / 9.7500E-01 2.1000E+02 9.8400E+02 4.3740E+03 / !TROE FALL-OFF REACTION 271c4762a1bSJed BrownH2/2/ H2O/6/ CO/1.5/ CO2/2/ CH4/2/ 272c4762a1bSJed Brown!R160 273c4762a1bSJed BrownH2+CH3O2<=>H+CH3O2H 1.500E+14 0.00 2.603E+04 274c4762a1bSJed Brown!R162 275c4762a1bSJed BrownC2H5+C2H3<=>C2H4+C2H4 6.859E+11 0.11 -4.300E+03 276c4762a1bSJed Brown!R163 277c4762a1bSJed BrownCH3+C2H5<=>CH4+C2H4 1.180E+04 2.45 -2.921E+03 278c4762a1bSJed Brown!R164 279c4762a1bSJed BrownC2H5+H<=>CH3+CH3 9.690E+13 0.00 2.200E+02 280c4762a1bSJed Brown!R165 281c4762a1bSJed BrownC2H5+H<=>C2H4+H2 2.000E+12 0.00 0.000E+00 282c4762a1bSJed Brown!R166 283c4762a1bSJed BrownC2H5+O<=>CH3CHO+H 1.100E+14 0.00 0.000E+00 284c4762a1bSJed Brown!R167 285c4762a1bSJed BrownC2H5+HO2<=>C2H5O+OH 1.100E+13 0.00 0.000E+00 286c4762a1bSJed Brown!R168 287c4762a1bSJed BrownCH3O2+C2H5<=>CH3O+C2H5O 8.000E+12 0.00 -1.000E+03 288c4762a1bSJed Brown!R169 289c4762a1bSJed BrownC2H5O+O2<=>CH3CHO+HO2 4.280E+10 0.00 1.097E+03 290c4762a1bSJed Brown!R170 291c4762a1bSJed BrownC2H5O<=>CH3+CH2O 1.321E+20 -2.02 2.075E+04 292c4762a1bSJed Brown!R171 293c4762a1bSJed BrownC2H5O<=>CH3CHO+H 5.428E+15 -0.69 2.223E+04 294c4762a1bSJed Brown!R179 295c4762a1bSJed BrownC2H5+O2<=>C2H4+HO2 3.780E+14 -1.01 4.749E+03 296c4762a1bSJed BrownDUP 297c4762a1bSJed Brown!R180 298c4762a1bSJed BrownC2H5+O2<=>C2H4+HO2 4.000E-01 3.88 1.362E+04 299c4762a1bSJed BrownDUP 300c4762a1bSJed Brown!R182 301c4762a1bSJed BrownC2H5+O2<=>CH3CHO+OH 8.265E+02 2.41 5.285E+03 302c4762a1bSJed Brown!R195 303c4762a1bSJed BrownC2H3O1-2<=>CH3CO 8.500E+14 0.00 1.400E+04 304c4762a1bSJed Brown!R196 305c4762a1bSJed BrownC2H3O1-2<=>CH2CHO 1.000E+14 0.00 1.400E+04 306c4762a1bSJed Brown!R197 307c4762a1bSJed BrownCH3CHO<=>CH3+HCO 7.687E+20 -1.34 8.695E+04 308c4762a1bSJed Brown!R198 309c4762a1bSJed BrownCH3CHO+H<=>CH3CO+H2 2.370E+13 0.00 3.642E+03 310c4762a1bSJed Brown!R199 311c4762a1bSJed BrownCH3CHO+O<=>CH3CO+OH 5.940E+12 0.00 1.868E+03 312c4762a1bSJed Brown!R200 313c4762a1bSJed BrownCH3CHO+OH<=>CH3CO+H2O 3.370E+12 0.00 -6.190E+02 314c4762a1bSJed Brown!R201 315c4762a1bSJed BrownCH3CHO+O2<=>CH3CO+HO2 3.010E+13 0.00 3.915E+04 316c4762a1bSJed Brown!R202 317c4762a1bSJed BrownCH3CHO+CH3<=>CH3CO+CH4 7.080E-04 4.58 1.966E+03 318c4762a1bSJed Brown!R203 319c4762a1bSJed BrownCH3CHO+HO2<=>CH3CO+H2O2 3.010E+12 0.00 1.192E+04 320c4762a1bSJed Brown!R204 321c4762a1bSJed BrownCH3O2+CH3CHO<=>CH3O2H+CH3CO 3.010E+12 0.00 1.192E+04 322c4762a1bSJed Brown!R207 323c4762a1bSJed BrownCH3CHO+OH<=>CH2CHO+H2O 1.720E+05 2.40 8.150E+02 324c4762a1bSJed Brown!R208 325c4762a1bSJed BrownCH3CO(+M)<=>CH3+CO(+M) 3.000E+12 0.00 1.672E+04 326c4762a1bSJed BrownLOW / 1.2000E+15 0.0000E+00 1.2518E+04 / !LINDEMANN FALL-OFF REACTION 327c4762a1bSJed Brown!R221 328c4762a1bSJed BrownCH2CHO+O2<=>CH2O+CO+OH 8.950E+13 -0.60 1.012E+04 329c4762a1bSJed Brown!R237 330c4762a1bSJed BrownC2H3+H(+M)<=>C2H4(+M) 6.080E+12 0.27 2.800E+02 331c4762a1bSJed BrownLOW / 1.4000E+30 -3.8600E+00 3.3200E+03 / 332c4762a1bSJed BrownTROE / 7.8200E-01 2.0750E+02 2.6630E+03 6.0950E+03 / !TROE FALL-OFF REACTION 333c4762a1bSJed BrownH2/2/ H2O/6/ CO/1.5/ CO2/2/ CH4/2/ 334c4762a1bSJed Brown!R239 335c4762a1bSJed BrownC2H4+H<=>C2H3+H2 5.070E+07 1.93 1.295E+04 336c4762a1bSJed Brown!R240 337c4762a1bSJed BrownC2H4+O<=>CH3+HCO 8.564E+06 1.88 1.830E+02 338c4762a1bSJed Brown!R241 339c4762a1bSJed BrownC2H4+O<=>CH2CHO+H 4.986E+06 1.88 1.830E+02 340c4762a1bSJed Brown!R242 341c4762a1bSJed BrownC2H4+OH<=>C2H3+H2O 1.800E+06 2.00 2.500E+03 342c4762a1bSJed Brown!R243 343c4762a1bSJed BrownC2H4+CH3<=>C2H3+CH4 6.620E+00 3.70 9.500E+03 344c4762a1bSJed Brown!R244 345c4762a1bSJed BrownC2H4+O2<=>C2H3+HO2 4.000E+13 0.00 5.820E+04 346c4762a1bSJed Brown!R246 347c4762a1bSJed BrownC2H4+CH3O2<=>C2H3+CH3O2H 2.230E+12 0.00 1.719E+04 348c4762a1bSJed Brown!R253 349c4762a1bSJed BrownCH2(S)+CH3<=>C2H4+H 2.000E+13 0.00 0.000E+00 350c4762a1bSJed Brown!R256 351c4762a1bSJed BrownC2H3+O2<=>CH2O+HCO 8.500E+28 -5.31 6.500E+03 352c4762a1bSJed Brown!R257 353c4762a1bSJed BrownC2H3+O2<=>CH2CHO+O 5.500E+14 -0.61 5.260E+03 354c4762a1bSJed Brown!R271 355c4762a1bSJed BrownC2H5OH(+M)<=>CH2OH+CH3(+M) 2.000E+23 -1.68 9.640E+04 356c4762a1bSJed BrownLOW / 3.1100E+85 -1.8840E+01 1.1310E+05 / 357c4762a1bSJed BrownTROE / 5.0000E-01 5.5000E+02 8.2500E+02 6.1000E+03 / !TROE FALL-OFF REACTION 358c4762a1bSJed BrownH2/2/ H2O/5/ CO/2/ CO2/3/ 359c4762a1bSJed Brown!R272 360c4762a1bSJed BrownC2H5OH(+M)<=>C2H5+OH(+M) 2.400E+23 -1.62 9.954E+04 361c4762a1bSJed BrownLOW / 5.1100E+85 -1.8800E+01 1.1877E+05 / 362c4762a1bSJed BrownTROE / 5.0000E-01 6.5000E+02 8.0000E+02 1.0000E+15 / !TROE FALL-OFF REACTION 363c4762a1bSJed BrownH2/2/ H2O/5/ CO/2/ CO2/3/ 364c4762a1bSJed Brown!R273 365c4762a1bSJed BrownC2H5OH(+M)<=>C2H4+H2O(+M) 1.320E+05 2.52 6.066E+04 366c4762a1bSJed BrownLOW / 3.0900E+55 -1.0920E+01 6.2644E+04 / 367c4762a1bSJed BrownTROE / 8.9700E-01 1.0000E+10 1.0000E+00 5.0000E+09 / !TROE FALL-OFF REACTION 368c4762a1bSJed BrownH2O/5/ 369c4762a1bSJed Brown!R274 370c4762a1bSJed BrownC2H5OH(+M)<=>CH3CHO+H2(+M) 7.240E+11 0.10 9.101E+04 371c4762a1bSJed BrownLOW / 4.4600E+87 -1.9420E+01 1.1558E+05 / 372c4762a1bSJed BrownTROE / 9.0000E-01 9.0000E+02 1.1000E+03 3.5000E+03 / !TROE FALL-OFF REACTION 373c4762a1bSJed BrownH2O/5/ 374c4762a1bSJed Brown!R275 375c4762a1bSJed BrownC2H5OH+O2<=>PC2H4OH+HO2 2.000E+13 0.00 5.280E+04 376c4762a1bSJed Brown!R276 377c4762a1bSJed BrownC2H5OH+O2<=>SC2H4OH+HO2 1.500E+13 0.00 5.015E+04 378c4762a1bSJed Brown!R277 379c4762a1bSJed BrownC2H5OH+OH<=>PC2H4OH+H2O 1.810E+11 0.40 7.170E+02 380c4762a1bSJed Brown!R278 381c4762a1bSJed BrownC2H5OH+OH<=>SC2H4OH+H2O 5.560E+10 0.50 -3.800E+02 382c4762a1bSJed Brown!R279 383c4762a1bSJed BrownC2H5OH+OH<=>C2H5O+H2O 1.500E+10 0.80 2.534E+03 384c4762a1bSJed Brown!R280 385c4762a1bSJed BrownC2H5OH+H<=>PC2H4OH+H2 1.880E+03 3.20 7.150E+03 386c4762a1bSJed Brown!R281 387c4762a1bSJed BrownC2H5OH+H<=>SC2H4OH+H2 1.790E+05 2.53 3.420E+03 388c4762a1bSJed Brown!R282 389c4762a1bSJed BrownC2H5OH+H<=>C2H5O+H2 5.360E+04 2.53 4.405E+03 390c4762a1bSJed Brown!R283 391c4762a1bSJed BrownC2H5OH+HO2<=>PC2H4OH+H2O2 2.379E+04 2.55 1.649E+04 392c4762a1bSJed Brown!R284 393c4762a1bSJed BrownC2H5OH+HO2<=>SC2H4OH+H2O2 6.000E+12 0.00 1.600E+04 394c4762a1bSJed Brown!R285 395c4762a1bSJed BrownC2H5OH+HO2<=>C2H5O+H2O2 2.500E+12 0.00 2.400E+04 396c4762a1bSJed Brown!R286 397c4762a1bSJed BrownC2H5OH+CH3O2<=>PC2H4OH+CH3O2H 1.230E+04 2.55 1.575E+04 398c4762a1bSJed Brown!R287 399c4762a1bSJed BrownC2H5OH+CH3O2<=>SC2H4OH+CH3O2H 8.200E+03 2.55 1.075E+04 400c4762a1bSJed Brown!R288 401c4762a1bSJed BrownC2H5OH+CH3O2<=>C2H5O+CH3O2H 2.500E+12 0.00 2.400E+04 402c4762a1bSJed Brown!R289 403c4762a1bSJed BrownC2H5OH+O<=>PC2H4OH+OH 9.690E+02 3.23 4.658E+03 404c4762a1bSJed Brown!R290 405c4762a1bSJed BrownC2H5OH+O<=>SC2H4OH+OH 1.450E+05 2.47 8.760E+02 406c4762a1bSJed Brown!R291 407c4762a1bSJed BrownC2H5OH+O<=>C2H5O+OH 1.460E-03 4.73 1.727E+03 408c4762a1bSJed Brown!R292 409c4762a1bSJed BrownC2H5OH+CH3<=>PC2H4OH+CH4 3.300E+02 3.30 1.229E+04 410c4762a1bSJed Brown!R293 411c4762a1bSJed BrownC2H5OH+CH3<=>SC2H4OH+CH4 1.993E+01 3.37 7.634E+03 412c4762a1bSJed Brown!R294 413c4762a1bSJed BrownC2H5OH+CH3<=>C2H5O+CH4 2.035E+00 3.57 7.721E+03 414c4762a1bSJed Brown!R297 415c4762a1bSJed BrownPC2H4OH<=>C2H4+OH 1.047E+25 -3.99 3.039E+04 416c4762a1bSJed Brown!R298 417c4762a1bSJed BrownSC2H4OH+M<=>CH3CHO+H+M 1.000E+14 0.00 2.500E+04 418c4762a1bSJed Brown!R299 419c4762a1bSJed BrownO2C2H4OH<=>PC2H4OH+O2 3.900E+16 -1.00 3.000E+04 420c4762a1bSJed Brown!R300 421c4762a1bSJed BrownO2C2H4OH<=>OH+CH2O+CH2O 3.125E+09 0.00 1.890E+04 422c4762a1bSJed Brown!R301 423c4762a1bSJed BrownSC2H4OH+O2<=>CH3CHO+HO2 3.810E+06 2.00 1.641E+03 424c4762a1bSJed Brown!R513 425c4762a1bSJed Brown N+OH=NO+H 3.8E13 0.000 0 ! SKR/GLA04 FLO/HAN77,HOW/SMI80 426c4762a1bSJed Brown!R514 427c4762a1bSJed Brown N+O2=NO+O 6.4E09 1.000 6280 ! SKR/GLA04 BAU/DRY73 428c4762a1bSJed Brown!R515 429c4762a1bSJed Brown N+NO=N2+O 2.1E13 0.000 0 ! TIA/QI09 CEC05 430c4762a1bSJed Brown!R551 431c4762a1bSJed Brown NO+O(+M)=NO2(+M) 1.3E15 -0.750 0 ! RAS/GLA08 ALL/DRY97,NBS91 432c4762a1bSJed Brown LOW /4.72E24 -2.87 1550/ ! RAS/GLA08 ALL/DRY97 (FC=0.95-1E-04*T) 433c4762a1bSJed Brown TROE /0.880 1E03 1E04 1E30/ ! RAS/GLA08A 434c4762a1bSJed Brown ! 435c4762a1bSJed Brown!R552 436c4762a1bSJed Brown! NO+O(+AR)=NO2(+AR) 1.3E15 -0.750 0 ! RAS/GLA08ALL/DRY97,NBS91 437c4762a1bSJed Brown! LOW /7.56E19 -1.41 0/ ! RAS/GLA08 YAR/SUT91 (FC=0.95-1E-04*T) 438c4762a1bSJed Brown! TROE /0.750 1E03 1E05 1E30/ ! RAS/GLA08A 439c4762a1bSJed Brown!R554 440c4762a1bSJed Brown NO+HO2=NO2+OH 2.1E12 0.000 -497 ! RAS/GLA08 CEC05 441c4762a1bSJed Brown!R555 442c4762a1bSJed Brown NO2+H=NO+OH 1.3E14 0.000 362 ! RAS/GLA08 KO/FON91 443c4762a1bSJed Brown!R556 444c4762a1bSJed Brown NO2+O=NO+O2 1.1E14 -0.520 0 ! RAS/GLA08 BEM/CLY74 445c4762a1bSJed Brown!R561 446c4762a1bSJed Brown NO2+NO2=NO+NO+O2 4.5E12 0.000 27599 ! RAS/GLA08 PAR/LIN98 447c4762a1bSJed Brown!R570 448c4762a1bSJed Brown N2O(+M)=N2+O(+M) 1.3E12 0.000 62570 ! SKR/GLA04 JOH/GLA92,ROH/HAN96 449c4762a1bSJed Brown LOW/4.0E14 0 56600/ 450c4762a1bSJed Brown N2/1.7/ O2/1.4/ CO2/3.0/ H2O/12/ ! 451c4762a1bSJed Brown!R571 452c4762a1bSJed Brown N2O+H=N2+OH 6.4E07 1.835 13492 ! PW 453c4762a1bSJed Brown!R572 454c4762a1bSJed Brown N2O+O=NO+NO 9.2E13 0.000 27679 ! SKR/GLA04 MEA/AND00 455c4762a1bSJed Brown!R573 456c4762a1bSJed Brown N2O+O=N2+O2 3.7E12 0.000 15936 ! SKR/GLA04 MEA/AND00 457c4762a1bSJed Brown!R574 458c4762a1bSJed Brown N2O+OH=N2+HO2 1.3E-2 4.720 36560 ! SKR/GLA04 MEB/LIN96 459c4762a1bSJed Brown!R576 460c4762a1bSJed Brown N2O+NO=NO2+N2 5.3E05 2.230 46280 ! SKR/GLA04 MEB/LIN96! 461c4762a1bSJed Brown!END 462c4762a1bSJed Brown! A 30-SPECIES SKELETAL MECHANISM BASED ON GRI3.0 463c4762a1bSJed Brown! 464c4762a1bSJed Brown! BY TIANFENG LU 465c4762a1bSJed Brown! EMAIL: TLU@ENGR.UCONN.EDU 466c4762a1bSJed Brown! 467c4762a1bSJed Brown! REFERENCE: 468c4762a1bSJed Brown! TIANFENG LU AND CHUNG K. LAW, 469c4762a1bSJed Brown! "A CRITERION BASED ON COMPUTATIONAL SINGULAR PERTURBATION 470c4762a1bSJed Brown! FOR THE IDENTIFICATION OF QUASI STEADY STATE SPECIES: 471c4762a1bSJed Brown! A REDUCED MECHANISM FOR METHANE OXIDATION WITH NO CHEMISTRY," 472*36186e57Sprj-! COMBUSTION AND FLAME, VOL.154 NO.4 PP.761-774, 2008. 473c4762a1bSJed Brown! 474c4762a1bSJed Brown!R1 = R6 earlier 475c4762a1bSJed Brown!!d 2O+M<=>O2+M 1.200E+17 -1.000 .00 476c4762a1bSJed Brown!!d H2/ 2.40/ H2O/15.40/ CH4/ 2.00/ CO/ 1.75/ CO2/ 3.60/ C2H6/ 3.00/ 477c4762a1bSJed Brown!R2 = R7 earlier 478c4762a1bSJed Brown!!d O+H+M<=>OH+M 5.000E+17 -1.000 .00 479c4762a1bSJed Brown!!d H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 480c4762a1bSJed Brown!R3 481c4762a1bSJed Brown!!O+H2<=>H+OH 3.870E+04 2.700 6260.00 482c4762a1bSJed Brown!R4 483c4762a1bSJed Brown!!O+HO2<=>OH+O2 2.000E+13 .000 .00 484c4762a1bSJed Brown!R5 485c4762a1bSJed Brown!!O+H2O2<=>OH+HO2 9.630E+06 2.000 4000.00 486c4762a1bSJed Brown!R6 487c4762a1bSJed BrownO+CH<=>H+CO 5.700E+13 .000 .00 488c4762a1bSJed Brown!R7 489c4762a1bSJed BrownO+CH2<=>H+HCO 8.000E+13 .000 .00 490c4762a1bSJed Brown!R8 491c4762a1bSJed BrownO+CH2(S)<=>H2+CO 1.500E+13 .000 .00 492c4762a1bSJed Brown!R9 493c4762a1bSJed BrownO+CH2(S)<=>H+HCO 1.500E+13 .000 .00 494c4762a1bSJed Brown!R10 495c4762a1bSJed Brown!!O+CH3<=>H+CH2O 5.060E+13 .000 .00 496c4762a1bSJed Brown!R11 497c4762a1bSJed Brown!!O+CH4<=>OH+CH3 1.020E+09 1.500 8600.00 498c4762a1bSJed Brown!R12 499c4762a1bSJed Brown!!O+CO(+M)<=>CO2(+M) 1.800E+10 .000 2385.00 500c4762a1bSJed Brown!! LOW/ 6.020E+14 .000 3000.00/ 501c4762a1bSJed Brown!!H2/2.00/ O2/6.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/3.50/ C2H6/3.00/ 502c4762a1bSJed Brown!R13 503c4762a1bSJed Brown!!O+HCO<=>OH+CO 3.000E+13 .000 .00 504c4762a1bSJed Brown!R14 505c4762a1bSJed Brown!!O+HCO<=>H+CO2 3.000E+13 .000 .00 506c4762a1bSJed Brown!R15 507c4762a1bSJed Brown!!O+CH2O<=>OH+HCO 3.900E+13 .000 3540.00 508c4762a1bSJed Brown!R16 509c4762a1bSJed Brown!!O+CH2OH<=>OH+CH2O 1.000E+13 .000 .00 510c4762a1bSJed Brown!R17 511c4762a1bSJed BrownO+CH3O<=>OH+CH2O 1.000E+13 .000 .00 512c4762a1bSJed Brown!R18 513c4762a1bSJed BrownO+CH3OH<=>OH+CH2OH 3.880E+05 2.500 3100.00 514c4762a1bSJed Brown!R19 515c4762a1bSJed BrownO+CH3OH<=>OH+CH3O 1.300E+05 2.500 5000.00 516c4762a1bSJed Brown!R20 517c4762a1bSJed BrownO+C2H2<=>H+HCCO 1.350E+07 2.000 1900.00 518c4762a1bSJed Brown!R21 519c4762a1bSJed BrownO+C2H2<=>CO+CH2 6.940E+06 2.000 1900.00 520c4762a1bSJed Brown!R22 521c4762a1bSJed BrownO+C2H3<=>H+CH2CO 3.000E+13 .000 .00 522c4762a1bSJed Brown!R23 523c4762a1bSJed Brown!!O+C2H4<=>CH3+HCO 1.250E+07 1.830 220.00 524c4762a1bSJed Brown!R24 525c4762a1bSJed BrownO+C2H5<=>CH3+CH2O 2.240E+13 .000 .00 526c4762a1bSJed Brown!R25 527c4762a1bSJed BrownO+C2H6<=>OH+C2H5 8.980E+07 1.920 5690.00 528c4762a1bSJed Brown!R26 529c4762a1bSJed BrownO+HCCO<=>H+2CO 1.000E+14 .000 .00 530c4762a1bSJed Brown!R27 531c4762a1bSJed BrownO+CH2CO<=>OH+HCCO 1.000E+13 .000 8000.00 532c4762a1bSJed Brown!R28 533c4762a1bSJed BrownO+CH2CO<=>CH2+CO2 1.750E+12 .000 1350.00 534c4762a1bSJed Brown!R29 535c4762a1bSJed Brown!!O2+CO<=>O+CO2 2.500E+12 .000 47800.00 536c4762a1bSJed Brown!R30 537c4762a1bSJed Brown!!O2+CH2O<=>HO2+HCO 1.000E+14 .000 40000.00 538c4762a1bSJed Brown!R31 539c4762a1bSJed Brown!!H+O2+M<=>HO2+M 2.800E+18 -.860 .00 540c4762a1bSJed Brown!!O2/ .00/ H2O/ .00/ CO/ .75/ CO2/1.50/ C2H6/1.50/ N2/ .00/ 541c4762a1bSJed Brown!R32 542c4762a1bSJed BrownH+2O2<=>HO2+O2 2.080E+19 -1.240 .00 543c4762a1bSJed Brown!R33 544c4762a1bSJed BrownH+O2+H2O<=>HO2+H2O 11.26E+18 -.760 .00 545c4762a1bSJed Brown!R34 546c4762a1bSJed BrownH+O2+N2<=>HO2+N2 2.600E+19 -1.240 .00 547c4762a1bSJed Brown!R35 548c4762a1bSJed Brown!!H+O2<=>O+OH 2.650E+16 -.6707 17041.00 549c4762a1bSJed Brown!R36 550c4762a1bSJed Brown!!2H+M<=>H2+M 1.000E+18 -1.000 .00 551c4762a1bSJed Brown!!H2/ .00/ H2O/ .00/ CH4/2.00/ CO2/ .00/ C2H6/3.00/ 552c4762a1bSJed Brown!R37 553c4762a1bSJed Brown2H+H2<=>2H2 9.000E+16 -.600 .00 554c4762a1bSJed Brown!R38 555c4762a1bSJed Brown2H+H2O<=>H2+H2O 6.000E+19 -1.250 .00 556c4762a1bSJed Brown!R39 557c4762a1bSJed Brown2H+CO2<=>H2+CO2 5.500E+20 -2.000 .00 558c4762a1bSJed Brown!R40 559c4762a1bSJed Brown!!H+OH+M<=>H2O+M 2.200E+22 -2.000 .00 560c4762a1bSJed Brown!!H2/ .73/ H2O/3.65/ CH4/2.00/ C2H6/3.00/ 561c4762a1bSJed Brown!R41 562c4762a1bSJed BrownH+HO2<=>O+H2O 3.970E+12 .000 671.00 563c4762a1bSJed Brown!R42 564c4762a1bSJed Brown!!H+HO2<=>O2+H2 4.480E+13 .000 1068.00 565c4762a1bSJed Brown!R43 566c4762a1bSJed Brown!!H+HO2<=>2OH 0.840E+14 .000 635.00 567c4762a1bSJed Brown!R44 568c4762a1bSJed Brown!!H+H2O2<=>HO2+H2 1.210E+07 2.000 5200.00 569c4762a1bSJed Brown!R45 570c4762a1bSJed Brown!!H+H2O2<=>OH+H2O 1.000E+13 .000 3600.00 571c4762a1bSJed Brown!R46 572c4762a1bSJed BrownH+CH<=>C+H2 1.650E+14 .000 .00 573c4762a1bSJed Brown!R47 574c4762a1bSJed Brown!!H+CH2(+M)<=>CH3(+M) 6.000E+14 .000 .00 575c4762a1bSJed Brown!! LOW / 1.040E+26 -2.760 1600.00/ 576c4762a1bSJed Brown!! TROE/ .5620 91.00 5836.00 8552.00/ 577c4762a1bSJed Brown!! H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 578c4762a1bSJed Brown!R48 579c4762a1bSJed BrownH+CH2(S)<=>CH+H2 3.000E+13 .000 .00 580c4762a1bSJed Brown!R49 581c4762a1bSJed Brown!!H+CH3(+M)<=>CH4(+M) 13.90E+15 -.534 536.00 582c4762a1bSJed Brown!! LOW / 2.620E+33 -4.760 2440.00/ 583c4762a1bSJed Brown!! TROE/ .7830 74.00 2941.00 6964.00 / 584c4762a1bSJed Brown!!H2/2.00/ H2O/6.00/ CH4/3.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 585c4762a1bSJed Brown!R50 586c4762a1bSJed Brown!!H+CH4<=>CH3+H2 6.600E+08 1.620 10840.00 587c4762a1bSJed Brown!R51 588c4762a1bSJed Brown!!H+HCO(+M)<=>CH2O(+M) 1.090E+12 .480 -260.00 589c4762a1bSJed Brown!! LOW / 2.470E+24 -2.570 425.00/ 590c4762a1bSJed Brown!! TROE/ .7824 271.00 2755.00 6570.00 / 591c4762a1bSJed Brown!! H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 592c4762a1bSJed Brown!R52 593c4762a1bSJed Brown!!H+HCO<=>H2+CO 7.340E+13 .000 .00 594c4762a1bSJed Brown!R53 595c4762a1bSJed Brown!!H+CH2O(+M)<=>CH2OH(+M) 5.400E+11 .454 3600.00 596c4762a1bSJed Brown!! LOW / 1.270E+32 -4.820 6530.00/ 597c4762a1bSJed Brown!! TROE/ .7187 103.00 1291.00 4160.00 / 598c4762a1bSJed Brown!! H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 599c4762a1bSJed Brown!R54 600c4762a1bSJed Brown!!H+CH2O(+M)<=>CH3O(+M) 5.400E+11 .454 2600.00 601c4762a1bSJed Brown!! LOW / 2.200E+30 -4.800 5560.00/ 602c4762a1bSJed Brown!! TROE/ .7580 94.00 1555.00 4200.00 / 603c4762a1bSJed Brown!! H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 604c4762a1bSJed Brown!R55 605c4762a1bSJed Brown!! H+CH2O<=>HCO+H2 5.740E+07 1.900 2742.00 606c4762a1bSJed Brown!R56 607c4762a1bSJed BrownH+CH2OH(+M)<=>CH3OH(+M) 1.055E+12 .500 86.00 608c4762a1bSJed Brown LOW / 4.360E+31 -4.650 5080.00/ 609c4762a1bSJed Brown TROE/ .600 100.00 90000.0 10000.0 / 610c4762a1bSJed BrownH2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 611c4762a1bSJed Brown!R57 612c4762a1bSJed Brown!! H+CH2OH<=>H2+CH2O 2.000E+13 .000 .00 613c4762a1bSJed Brown!R58 614c4762a1bSJed Brown!! H+CH2OH<=>OH+CH3 1.650E+11 .650 -284.00 615c4762a1bSJed Brown!R59 616c4762a1bSJed BrownH+CH2OH<=>CH2(S)+H2O 3.280E+13 -.090 610.00 617c4762a1bSJed Brown!R60 618c4762a1bSJed BrownH+CH3O(+M)<=>CH3OH(+M) 2.430E+12 .515 50.00 619c4762a1bSJed Brown LOW / 4.660E+41 -7.440 14080.0/ 620c4762a1bSJed Brown TROE/ .700 100.00 90000.0 10000.00 / 621c4762a1bSJed BrownH2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 622c4762a1bSJed Brown!R61 623c4762a1bSJed BrownH+CH3O<=>H+CH2OH 4.150E+07 1.630 1924.00 624c4762a1bSJed Brown!R62 625c4762a1bSJed Brown!! H+CH3O<=>H2+CH2O 2.000E+13 .000 .00 626c4762a1bSJed Brown!R63 627c4762a1bSJed Brown!! H+CH3O<=>OH+CH3 1.500E+12 .500 -110.00 628c4762a1bSJed Brown!R64 629c4762a1bSJed BrownH+CH3O<=>CH2(S)+H2O 2.620E+14 -.230 1070.00 630c4762a1bSJed Brown!R65 631c4762a1bSJed BrownH+CH3OH<=>CH2OH+H2 1.700E+07 2.100 4870.00 632c4762a1bSJed Brown!R66 633c4762a1bSJed BrownH+CH3OH<=>CH3O+H2 4.200E+06 2.100 4870.00 634c4762a1bSJed Brown!R67 635c4762a1bSJed BrownH+C2H2(+M)<=>C2H3(+M) 5.600E+12 .000 2400.00 636c4762a1bSJed Brown LOW / 3.800E+40 -7.270 7220.00/ 637c4762a1bSJed Brown TROE/ .7507 98.50 1302.00 4167.00 / 638c4762a1bSJed BrownH2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 639c4762a1bSJed Brown!R68 640c4762a1bSJed Brown!!H+C2H3(+M)<=>C2H4(+M) 6.080E+12 .270 280.00 641c4762a1bSJed Brown!! LOW / 1.400E+30 -3.860 3320.00/ 642c4762a1bSJed Brown!! TROE/ .7820 207.50 2663.00 6095.00 / 643c4762a1bSJed Brown!! H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 644c4762a1bSJed Brown!R69 645c4762a1bSJed BrownH+C2H3<=>H2+C2H2 3.000E+13 .000 .00 646c4762a1bSJed Brown!R70 647c4762a1bSJed Brown!! H+C2H4(+M)<=>C2H5(+M) 0.540E+12 .454 1820.00 648c4762a1bSJed Brown!! LOW / 0.600E+42 -7.620 6970.00/ 649c4762a1bSJed Brown!! TROE/ .9753 210.00 984.00 4374.00 / 650c4762a1bSJed Brown!! H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 651c4762a1bSJed Brown!R71 652c4762a1bSJed Brown!! H+C2H4<=>C2H3+H2 1.325E+06 2.530 12240.00 653c4762a1bSJed Brown!R72 654c4762a1bSJed BrownH+C2H5(+M)<=>C2H6(+M) 5.210E+17 -.990 1580.00 655c4762a1bSJed Brown LOW / 1.990E+41 -7.080 6685.00/ 656c4762a1bSJed Brown TROE/ .8422 125.00 2219.00 6882.00 / 657c4762a1bSJed BrownH2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 658c4762a1bSJed Brown!R73 659c4762a1bSJed Brown!! H+C2H5<=>H2+C2H4 2.000E+12 .000 .00 660c4762a1bSJed Brown!R74 661c4762a1bSJed BrownH+C2H6<=>C2H5+H2 1.150E+08 1.900 7530.00 662c4762a1bSJed Brown!R75 663c4762a1bSJed BrownH+HCCO<=>CH2(S)+CO 1.000E+14 .000 .00 664c4762a1bSJed Brown!R76 665c4762a1bSJed BrownH+CH2CO<=>HCCO+H2 5.000E+13 .000 8000.00 666c4762a1bSJed Brown!R77 667c4762a1bSJed BrownH+CH2CO<=>CH3+CO 1.130E+13 .000 3428.00 668c4762a1bSJed Brown!R78 669c4762a1bSJed Brown!!H2+CO(+M)<=>CH2O(+M) 4.300E+07 1.500 79600.00 670c4762a1bSJed Brown!! LOW / 5.070E+27 -3.420 84350.00/ 671c4762a1bSJed Brown!! TROE/ .9320 197.00 1540.00 10300.00 / 672c4762a1bSJed Brown!! H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 673c4762a1bSJed Brown!R79 674c4762a1bSJed Brown!! OH+H2<=>H+H2O 2.160E+08 1.510 3430.00 675c4762a1bSJed Brown!R80 676c4762a1bSJed Brown!!x2OH(+M)<=>H2O2(+M) 7.400E+13 -.370 .00 677c4762a1bSJed Brown!!x LOW / 2.300E+18 -.900 -1700.00/ 678c4762a1bSJed Brown!!x TROE/ .7346 94.00 1756.00 5182.00 / 679c4762a1bSJed Brown!!x H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 680c4762a1bSJed Brown!R81 681c4762a1bSJed Brown!!x2OH<=>O+H2O 3.570E+04 2.400 -2110.00 682c4762a1bSJed Brown!R82 683c4762a1bSJed Brown!!OH+HO2<=>O2+H2O 1.450E+13 .000 -500.00 684c4762a1bSJed Brown!! DUPLICATE 685c4762a1bSJed Brown!R83 686c4762a1bSJed BrownOH+H2O2<=>HO2+H2O 2.000E+12 .000 427.00 687c4762a1bSJed Brown DUPLICATE 688c4762a1bSJed Brown!R84 689c4762a1bSJed BrownOH+H2O2<=>HO2+H2O 1.700E+18 .000 29410.00 690c4762a1bSJed Brown DUPLICATE 691c4762a1bSJed Brown!R85 692c4762a1bSJed BrownOH+C<=>H+CO 5.000E+13 .000 .00 693c4762a1bSJed Brown!R86 694c4762a1bSJed BrownOH+CH<=>H+HCO 3.000E+13 .000 .00 695c4762a1bSJed Brown!R87 696c4762a1bSJed BrownOH+CH2<=>H+CH2O 2.000E+13 .000 .00 697c4762a1bSJed Brown!R88 698c4762a1bSJed BrownOH+CH2<=>CH+H2O 1.130E+07 2.000 3000.00 699c4762a1bSJed Brown!R89 700c4762a1bSJed Brown!!OH+CH2(S)<=>H+CH2O 3.000E+13 .000 .00 701c4762a1bSJed Brown!R90 702c4762a1bSJed BrownOH+CH3(+M)<=>CH3OH(+M) 2.790E+18 -1.430 1330.00 703c4762a1bSJed Brown LOW / 4.000E+36 -5.920 3140.00/ 704c4762a1bSJed Brown TROE/ .4120 195.0 5900.00 6394.00/ 705c4762a1bSJed BrownH2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 706c4762a1bSJed Brown!R91 707c4762a1bSJed Brown!!OH+CH3<=>CH2+H2O 5.600E+07 1.600 5420.00 708c4762a1bSJed Brown!R92 709c4762a1bSJed Brown!!OH+CH3<=>CH2(S)+H2O 6.440E+17 -1.340 1417.00 710c4762a1bSJed Brown!R93 711c4762a1bSJed Brown!! OH+CH4<=>CH3+H2O 1.000E+08 1.600 3120.00 712c4762a1bSJed Brown!R94 713c4762a1bSJed Brown!! OH+CO<=>H+CO2 4.760E+07 1.228 70.00 714c4762a1bSJed Brown!R95 715c4762a1bSJed Brown!! OH+HCO<=>H2O+CO 5.000E+13 .000 .00 716c4762a1bSJed Brown!R96 717c4762a1bSJed Brown!! OH+CH2O<=>HCO+H2O 3.430E+09 1.180 -447.00 718c4762a1bSJed Brown!R97 719c4762a1bSJed Brown!! OH+CH2OH<=>H2O+CH2O 5.000E+12 .000 .00 720c4762a1bSJed Brown!R98 721c4762a1bSJed BrownOH+CH3O<=>H2O+CH2O 5.000E+12 .000 .00 722c4762a1bSJed Brown!R99 723c4762a1bSJed BrownOH+CH3OH<=>CH2OH+H2O 1.440E+06 2.000 -840.00 724c4762a1bSJed Brown!R100 725c4762a1bSJed BrownOH+CH3OH<=>CH3O+H2O 6.300E+06 2.000 1500.00 726c4762a1bSJed Brown!R101 727c4762a1bSJed BrownOH+C2H2<=>H+CH2CO 2.180E-04 4.500 -1000.00 728c4762a1bSJed Brown!R102 729c4762a1bSJed BrownOH+C2H2<=>CH3+CO 4.830E-04 4.000 -2000.00 730c4762a1bSJed Brown!R103 731c4762a1bSJed BrownOH+C2H3<=>H2O+C2H2 5.000E+12 .000 .00 732c4762a1bSJed Brown!R104 733c4762a1bSJed Brown!! OH+C2H4<=>C2H3+H2O 3.600E+06 2.000 2500.00 734c4762a1bSJed Brown!R105 735c4762a1bSJed BrownOH+C2H6<=>C2H5+H2O 3.540E+06 2.120 870.00 736c4762a1bSJed Brown!R106 737c4762a1bSJed BrownOH+CH2CO<=>HCCO+H2O 7.500E+12 .000 2000.00 738c4762a1bSJed Brown!R107 739c4762a1bSJed Brown2HO2<=>O2+H2O2 1.300E+11 .000 -1630.00 740c4762a1bSJed Brown DUPLICATE 741c4762a1bSJed Brown!R108 742c4762a1bSJed Brown2HO2<=>O2+H2O2 4.200E+14 .000 12000.00 743c4762a1bSJed Brown DUPLICATE 744c4762a1bSJed Brown!R109 745c4762a1bSJed BrownHO2+CH2<=>OH+CH2O 2.000E+13 .000 .00 746c4762a1bSJed Brown!R110 747c4762a1bSJed Brown!!HO2+CH3<=>O2+CH4 1.000E+12 .000 .00 748c4762a1bSJed Brown!R111 749c4762a1bSJed Brown!!HO2+CH3<=>OH+CH3O 3.780E+13 .000 .00 750c4762a1bSJed Brown!R112 751c4762a1bSJed Brown!!HO2+CO<=>OH+CO2 1.500E+14 .000 23600.00 752c4762a1bSJed Brown!R113 753c4762a1bSJed Brown!! HO2+CH2O<=>HCO+H2O2 5.600E+06 2.000 12000.00 754c4762a1bSJed Brown!R114 755c4762a1bSJed BrownC+O2<=>O+CO 5.800E+13 .000 576.00 756c4762a1bSJed Brown!R115 757c4762a1bSJed BrownC+CH3<=>H+C2H2 5.000E+13 .000 .00 758c4762a1bSJed Brown!R116 759c4762a1bSJed BrownCH+O2<=>O+HCO 6.710E+13 .000 .00 760c4762a1bSJed Brown!R117 761c4762a1bSJed BrownCH+H2<=>H+CH2 1.080E+14 .000 3110.00 762c4762a1bSJed Brown!R118 763c4762a1bSJed BrownCH+H2O<=>H+CH2O 5.710E+12 .000 -755.00 764c4762a1bSJed Brown!R119 765c4762a1bSJed BrownCH+CH2<=>H+C2H2 4.000E+13 .000 .00 766c4762a1bSJed Brown!R120 767c4762a1bSJed BrownCH+CH3<=>H+C2H3 3.000E+13 .000 .00 768c4762a1bSJed Brown!R121 769c4762a1bSJed BrownCH+CH4<=>H+C2H4 6.000E+13 .000 .00 770c4762a1bSJed Brown!R122 771c4762a1bSJed BrownCH+CO(+M)<=>HCCO(+M) 5.000E+13 .000 .00 772c4762a1bSJed Brown LOW / 2.690E+28 -3.740 1936.00/ 773c4762a1bSJed Brown TROE/ .5757 237.00 1652.00 5069.00 / 774c4762a1bSJed BrownH2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 775c4762a1bSJed Brown!R123 776c4762a1bSJed BrownCH+CO2<=>HCO+CO 1.900E+14 .000 15792.00 777c4762a1bSJed Brown!R124 778c4762a1bSJed BrownCH+CH2O<=>H+CH2CO 9.460E+13 .000 -515.00 779c4762a1bSJed Brown!R125 780c4762a1bSJed BrownCH+HCCO<=>CO+C2H2 5.000E+13 .000 .00 781c4762a1bSJed Brown!R126 782c4762a1bSJed Brown!!CH2+O2=>OH+H+CO 5.000E+12 .000 1500.00 783c4762a1bSJed Brown!R127 784c4762a1bSJed BrownCH2+H2<=>H+CH3 5.000E+05 2.000 7230.00 785c4762a1bSJed Brown!R128 786c4762a1bSJed Brown2CH2<=>H2+C2H2 1.600E+15 .000 11944.00 787c4762a1bSJed Brown!R129 788c4762a1bSJed BrownCH2+CH3<=>H+C2H4 4.000E+13 .000 .00 789c4762a1bSJed Brown!R130 790c4762a1bSJed Brown!!CH2+CH4<=>2CH3 2.460E+06 2.000 8270.00 791c4762a1bSJed Brown!R131 792c4762a1bSJed BrownCH2+CO(+M)<=>CH2CO(+M) 8.100E+11 .500 4510.00 793c4762a1bSJed Brown LOW / 2.690E+33 -5.110 7095.00/ 794c4762a1bSJed Brown TROE/ .5907 275.00 1226.00 5185.00 / 795c4762a1bSJed BrownH2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 796c4762a1bSJed Brown!R132 797c4762a1bSJed BrownCH2+HCCO<=>C2H3+CO 3.000E+13 .000 .00 798c4762a1bSJed Brown!R133 799c4762a1bSJed BrownCH2(S)+N2<=>CH2+N2 1.500E+13 .000 600.00 800c4762a1bSJed Brown!R134 801c4762a1bSJed Brown!!CH2(S)+O2<=>H+OH+CO 2.800E+13 .000 .00 802c4762a1bSJed Brown!R135 803c4762a1bSJed BrownCH2(S)+O2<=>CO+H2O 1.200E+13 .000 .00 804c4762a1bSJed Brown!R136 805c4762a1bSJed Brown!!CH2(S)+H2<=>CH3+H 7.000E+13 .000 .00 806c4762a1bSJed Brown!R137 807c4762a1bSJed BrownCH2(S)+H2O(+M)<=>CH3OH(+M) 4.820E+17 -1.160 1145.00 808c4762a1bSJed Brown LOW / 1.880E+38 -6.360 5040.00/ 809c4762a1bSJed Brown TROE/ .6027 208.00 3922.00 10180.0 / 810c4762a1bSJed BrownH2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 811c4762a1bSJed Brown!R138 812c4762a1bSJed BrownCH2(S)+H2O<=>CH2+H2O 3.000E+13 .000 .00 813c4762a1bSJed Brown!R139 814c4762a1bSJed Brown!!CH2(S)+CH3<=>H+C2H4 1.200E+13 .000 -570.00 815c4762a1bSJed Brown!R140 816c4762a1bSJed Brown!!CH2(S)+CH4<=>2CH3 1.600E+13 .000 -570.00 817c4762a1bSJed Brown!R141 818c4762a1bSJed BrownCH2(S)+CO<=>CH2+CO 9.000E+12 .000 .00 819c4762a1bSJed Brown!R142 820c4762a1bSJed BrownCH2(S)+CO2<=>CH2+CO2 7.000E+12 .000 .00 821c4762a1bSJed Brown!R143 822c4762a1bSJed Brown!!CH2(S)+CO2<=>CO+CH2O 1.400E+13 .000 .00 823c4762a1bSJed Brown!R144 824c4762a1bSJed BrownCH2(S)+C2H6<=>CH3+C2H5 4.000E+13 .000 -550.00 825c4762a1bSJed Brown!R145 826c4762a1bSJed Brown!!CH3+O2<=>O+CH3O 3.560E+13 .000 30480.00 827c4762a1bSJed Brown!R146 828c4762a1bSJed Brown!!CH3+O2<=>OH+CH2O 2.310E+12 .000 20315.00 829c4762a1bSJed Brown!R147 830c4762a1bSJed Brown!!CH3+H2O2<=>HO2+CH4 2.450E+04 2.470 5180.00 831c4762a1bSJed Brown!R148 832c4762a1bSJed Brown2CH3(+M)<=>C2H6(+M) 6.770E+16 -1.180 654.00 833c4762a1bSJed Brown LOW / 3.400E+41 -7.030 2762.00/ 834c4762a1bSJed Brown TROE/ .6190 73.20 1180.00 9999.00 / 835c4762a1bSJed BrownH2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 836c4762a1bSJed Brown!R149 837c4762a1bSJed Brown!!2CH3<=>H+C2H5 6.840E+12 .100 10600.00 838c4762a1bSJed Brown!R150 839c4762a1bSJed Brown!!CH3+HCO<=>CH4+CO 2.648E+13 .000 .00 840c4762a1bSJed Brown!R151 841c4762a1bSJed Brown!!CH3+CH2O<=>HCO+CH4 3.320E+03 2.810 5860.00 842c4762a1bSJed Brown!R152 843c4762a1bSJed BrownCH3+CH3OH<=>CH2OH+CH4 3.000E+07 1.500 9940.00 844c4762a1bSJed Brown!R153 845c4762a1bSJed BrownCH3+CH3OH<=>CH3O+CH4 1.000E+07 1.500 9940.00 846c4762a1bSJed Brown!R154 847c4762a1bSJed Brown!!CH3+C2H4<=>C2H3+CH4 2.270E+05 2.000 9200.00 848c4762a1bSJed Brown!R155 849c4762a1bSJed BrownCH3+C2H6<=>C2H5+CH4 6.140E+06 1.740 10450.00 850c4762a1bSJed Brown!R156 851c4762a1bSJed BrownHCO+H2O<=>H+CO+H2O 1.500E+18 -1.000 17000.00 852c4762a1bSJed Brown!R157 853c4762a1bSJed Brown!!HCO+M<=>H+CO+M 1.870E+17 -1.000 17000.00 854c4762a1bSJed Brown!!H2/2.00/ H2O/ .00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 855c4762a1bSJed Brown!R158 856c4762a1bSJed Brown!!HCO+O2<=>HO2+CO 13.45E+12 .000 400.00 857c4762a1bSJed Brown!R159 858c4762a1bSJed Brown!!CH2OH+O2<=>HO2+CH2O 1.800E+13 .000 900.00 859c4762a1bSJed Brown!R160 860c4762a1bSJed Brown!!CH3O+O2<=>HO2+CH2O 4.280E-13 7.600 -3530.00 861c4762a1bSJed Brown!R161 862c4762a1bSJed Brown!!C2H3+O2<=>HCO+CH2O 4.580E+16 -1.390 1015.00 863c4762a1bSJed Brown!R162 864c4762a1bSJed BrownC2H4(+M)<=>H2+C2H2(+M) 8.000E+12 .440 86770.00 865c4762a1bSJed Brown LOW / 1.580E+51 -9.300 97800.00/ 866c4762a1bSJed Brown TROE/ .7345 180.00 1035.00 5417.00 / 867c4762a1bSJed BrownH2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 868c4762a1bSJed Brown!R163 869c4762a1bSJed Brown!!C2H5+O2<=>HO2+C2H4 8.400E+11 .000 3875.00 870c4762a1bSJed Brown!R164 871c4762a1bSJed BrownHCCO+O2<=>OH+2CO 3.200E+12 .000 854.00 872c4762a1bSJed Brown!R165 873c4762a1bSJed Brown2HCCO<=>2CO+C2H2 1.000E+13 .000 .00 874c4762a1bSJed Brown!R166 875c4762a1bSJed BrownO+CH3=>H+H2+CO 3.370E+13 .000 .00 876c4762a1bSJed Brown!R167 877c4762a1bSJed Brown!!O+C2H4<=>H+CH2CHO 6.700E+06 1.830 220.00 878c4762a1bSJed Brown!R168 879c4762a1bSJed Brown!!OH+HO2<=>O2+H2O 0.500E+16 .000 17330.00 880c4762a1bSJed Brown!! DUPLICATE 881c4762a1bSJed Brown!R169 882c4762a1bSJed Brown!!OH+CH3=>H2+CH2O 8.000E+09 .500 -1755.00 883c4762a1bSJed Brown!R170 884c4762a1bSJed BrownCH+H2(+M)<=>CH3(+M) 1.970E+12 .430 -370.00 885c4762a1bSJed Brown LOW/ 4.820E+25 -2.80 590.0 / 886c4762a1bSJed Brown TROE/ .578 122.0 2535.0 9365.0 / 887c4762a1bSJed BrownH2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 888c4762a1bSJed Brown!R171 889c4762a1bSJed Brown!!CH2+O2=>2H+CO2 5.800E+12 .000 1500.00 890c4762a1bSJed Brown!R172 891c4762a1bSJed Brown!!CH2+O2<=>O+CH2O 2.400E+12 .000 1500.00 892c4762a1bSJed Brown!R173 893c4762a1bSJed BrownCH2+CH2=>2H+C2H2 2.000E+14 .000 10989.00 894c4762a1bSJed Brown!R174 895c4762a1bSJed BrownCH2(S)+H2O=>H2+CH2O 6.820E+10 .250 -935.00 896c4762a1bSJed Brown!R175 897c4762a1bSJed Brown!!C2H3+O2<=>O+CH2CHO 3.030E+11 .290 11.00 898c4762a1bSJed Brown!R176 899c4762a1bSJed BrownC2H3+O2<=>HO2+C2H2 1.337E+06 1.610 -384.00 900c4762a1bSJed Brown!R177 901c4762a1bSJed BrownH+CH2CO(+M)<=>CH2CHO(+M) 4.865E+11 0.422 -1755.00 902c4762a1bSJed Brown LOW/ 1.012E+42 -7.63 3854.0/ 903c4762a1bSJed Brown TROE/ 0.465 201.0 1773.0 5333.0 / 904c4762a1bSJed BrownH2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 905c4762a1bSJed Brown!R178 906c4762a1bSJed BrownO+CH2CHO=>H+CH2+CO2 1.500E+14 .000 .00 907c4762a1bSJed Brown!R179 908c4762a1bSJed Brown!!O2+CH2CHO=>OH+CO+CH2O 1.810E+10 .000 .00 909c4762a1bSJed Brown!R180 910c4762a1bSJed BrownO2+CH2CHO=>OH+2HCO 2.350E+10 .000 .00 911c4762a1bSJed Brown!R181 912c4762a1bSJed BrownH+CH2CHO<=>CH3+HCO 2.200E+13 .000 .00 913c4762a1bSJed Brown!R182 914c4762a1bSJed BrownH+CH2CHO<=>CH2CO+H2 1.100E+13 .000 .00 915c4762a1bSJed Brown!R183 916c4762a1bSJed BrownOH+CH2CHO<=>H2O+CH2CO 1.200E+13 .000 .00 917c4762a1bSJed Brown!R184 918c4762a1bSJed Brown!!OH+CH2CHO<=>HCO+CH2OH 3.010E+13 .000 .00 919c4762a1bSJed BrownEND 920