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