1! A 40-species skeletal mechanism for ethanol/air, with NO formation 2! 3! References: 4! Zhang H., Hawkes E.R., Kook S., Luo Z., Lu T.F., 5! "Computational investigations of the effects of thermal stratification in an ethanol-fuelled HCCI engine," 6! Fuel, submitted. 7! 8! Bhagatwala A., Chen J.H., Lu T.F., 9! "Direct numerical simulations of HCCI/SACI with ethanol," 10! Combust. Flame, 161 (7) 1826-1841, 2014. 11! 12 13ELEMENTS 14C H N O AR HE 15END 16SPECIES 17H H2 O O2 18OH H2O HO2 H2O2 19CO CO2 CH2O HCO 20CH4 CH3 CH2 CH2(S) 21CH3O CH2CHO CH2OH C2H4 22C2H3 C2H5 23!=================== ethanol 24HO2CHO O2CHO OCHO CH3O2H CH3O2 CH3CHO 25CH3CO C2H5OH C2H5O 26PC2H4OH SC2H4OH O2C2H4OH C2H3O1-2 27N NO NO2 N2O 28!==========Methane 29C CH CH3OH C2H2 C2H6 HCCO CH2CO N2 30 31REACTIONS 32!R1 33H+O2<=>O+OH 3.547E+15 -0.41 1.660E+04 34!R2 35O+H2<=>H+OH 5.080E+04 2.67 6.292E+03 36!R3 37OH+H2<=>H+H2O 2.160E+08 1.51 3.430E+03 38!R4 39O+H2O<=>OH+OH 2.970E+06 2.02 1.340E+04 40!R5 41H2+M<=>H+H+M 4.577E+19 -1.40 1.044E+05 42H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ 43!R6 44O2+M<=>O+O+M 4.420E+17 -0.63 1.189E+05 45H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ CH4/2/ 46!R7 47OH+M<=>O+H+M 9.780E+17 -0.74 1.021E+05 48H2/2.5/ H2O/12/ CO/1.5/ CO2/2/ CH4/2/ 49!R8 50H2O+M<=>H+OH+M 1.907E+23 -1.83 1.185E+05 51H2/.73/ H2O/12/ CH4/2/ 52!R9 53H+O2(+M)<=>HO2(+M) 1.475E+12 0.60 0.000E+00 54LOW / 3.4820E+16 -4.1100E-01 -1.1150E+03 / 55TROE / 5.0000E-01 1.0000E-30 1.0000E+30 1.0000E+30 / !TROE FALL-OFF REACTION 56H2/1.3/ H2O/14/ CO/1.9/ CO2/3.8/ CH4/2/ 57!R10 58HO2+H<=>H2+O2 1.660E+13 0.00 8.230E+02 59!R11 60HO2+H<=>OH+OH 7.079E+13 0.00 2.950E+02 61!R12 62HO2+O<=>OH+O2 3.250E+13 0.00 0.000E+00 63!R13 64HO2+OH<=>H2O+O2 2.890E+13 0.00 -4.970E+02 65!R14 66H2O2+O2<=>HO2+HO2 1.136E+16 -0.35 4.973E+04 67DUP 68!R15 69H2O2+O2<=>HO2+HO2 2.141E+13 -0.35 3.728E+04 70DUP 71!R16 72H2O2(+M)<=>OH+OH(+M) 2.951E+14 0.00 4.843E+04 73LOW / 1.2020E+17 0.0000E+00 4.5500E+04 / 74TROE / 5.0000E-01 1.0000E-30 1.0000E+30 1.0000E+30 / !TROE FALL-OFF REACTION 75H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/ CH4/2/ 76!R17 77H2O2+H<=>H2O+OH 2.410E+13 0.00 3.970E+03 78!R18 79H2O2+H<=>H2+HO2 2.150E+10 1.00 6.000E+03 80!R19 81H2O2+O<=>OH+HO2 9.550E+06 2.00 3.970E+03 82!R20 83H2O2+OH<=>H2O+HO2 2.000E+12 0.00 4.272E+02 84DUP 85!R21 86H2O2+OH<=>H2O+HO2 1.700E+18 0.00 2.941E+04 87DUP 88!R22 89CO+O(+M)<=>CO2(+M) 1.800E+10 0.00 2.384E+03 90LOW / 1.3500E+24 -2.7880E+00 4.1910E+03 / !LINDEMANN FALL-OFF REACTION 91H2/2/ O2/6/ H2O/6/ CO/1.5/ CO2/3.5/ CH4/2/ 92!R23 93CO+O2<=>CO2+O 1.050E+12 0.00 4.254E+04 94!R24 95CO+OH<=>CO2+H 1.784E+05 1.89 -1.158E+03 96!R25 97CO+HO2<=>CO2+OH 3.010E+13 0.00 2.300E+04 98!R26 99HCO+M<=>H+CO+M 4.750E+11 0.66 1.487E+04 100H2/2/ H2O/12/ CO/1.5/ CO2/2/ CH4/2/ 101!R27 102HCO+O2<=>CO+HO2 7.580E+12 0.00 4.100E+02 103!R28 104HCO+H<=>CO+H2 7.340E+13 0.00 0.000E+00 105!R29 106HCO+O<=>CO+OH 3.020E+13 0.00 0.000E+00 107!R30 108HCO+O<=>CO2+H 3.000E+13 0.00 0.000E+00 109!R31 110HCO+OH<=>CO+H2O 1.020E+14 0.00 0.000E+00 111!R32 112HCO+CH3<=>CH4+CO 2.650E+13 0.00 0.000E+00 113!R33 114HCO+HO2<=>CH2O+O2 2.499E+14 -0.06 1.392E+04 115!R34 116HCO+HO2<=>CO2+H+OH 3.000E+13 0.00 0.000E+00 117!R35 118O2CHO<=>HCO+O2 1.396E+29 -4.55 4.630E+04 119!R36 120CH2O+O2CHO<=>HCO+HO2CHO 1.990E+12 0.00 1.166E+04 121!R37 122HO2CHO<=>OCHO+OH 5.010E+14 0.00 4.015E+04 123!R38 124H+CO2<=>OCHO 7.500E+13 0.00 2.900E+04 125!R39 126CH2O+CO<=>HCO+HCO 9.186E+13 0.37 7.304E+04 127!R40 128HCO+HCO<=>H2+CO+CO 3.000E+12 0.00 0.000E+00 129!R41 130HCO+H(+M)<=>CH2O(+M) 1.090E+12 0.48 -2.600E+02 131LOW / 1.3500E+24 -2.5700E+00 1.4250E+03 / 132TROE / 7.8240E-01 2.7100E+02 2.7550E+03 6.5700E+03 / !TROE FALL-OFF REACTION 133H2/2/ H2O/6/ CO/1.5/ CO2/2/ CH4/2/ 134!R42 135CO+H2(+M)<=>CH2O(+M) 4.300E+07 1.50 7.960E+04 136LOW / 5.0700E+27 -3.4200E+00 8.4348E+04 / 137TROE / 9.3200E-01 1.9700E+02 1.5400E+03 1.0300E+04 / !TROE FALL-OFF REACTION 138H2/2/ H2O/6/ CO/1.5/ CO2/2/ CH4/2/ 139!R43 140CH2O+OH<=>HCO+H2O 7.820E+07 1.63 -1.055E+03 141!R44 142CH2O+H<=>HCO+H2 5.740E+07 1.90 2.740E+03 143!R45 144CH2O+O<=>HCO+OH 6.260E+09 1.15 2.260E+03 145!R46 146CH2O+CH3<=>HCO+CH4 3.830E+01 3.36 4.312E+03 147!R47 148CH2O+HO2<=>HCO+H2O2 7.100E-03 4.52 6.580E+03 149!R63 150CH3O(+M)<=>CH2O+H(+M) 6.800E+13 0.00 2.617E+04 151LOW / 1.8670E+25 -3.0000E+00 2.4307E+04 / 152TROE / 9.0000E-01 2.5000E+03 1.3000E+03 1.0000E+99 / !TROE FALL-OFF REACTION 153H2/2/ H2O/6/ CO/1.5/ CO2/2/ CH4/2/ 154!R64 155CH3O+O2<=>CH2O+HO2 4.380E-19 9.50 -5.501E+03 156!R67 157CH3O+CH3<=>CH2O+CH4 1.200E+13 0.00 0.000E+00 158!R68 159CH3O+H<=>CH2O+H2 2.000E+13 0.00 0.000E+00 160!R69 161CH3O+HO2<=>CH2O+H2O2 3.010E+11 0.00 0.000E+00 162!R70 163CH2O+H(+M)<=>CH2OH(+M) 5.400E+11 0.45 3.600E+03 164LOW / 1.2700E+32 -4.8200E+00 6.5300E+03 / 165TROE / 7.1870E-01 1.0300E+02 1.2910E+03 4.1600E+03 / !TROE FALL-OFF REACTION 166H2/2/ H2O/6/ CO/1.5/ CO2/2/ CH4/2/ 167!R71 168CH2OH+O2<=>CH2O+HO2 1.510E+15 -1.00 0.000E+00 169DUP 170!R72 171CH2OH+O2<=>CH2O+HO2 2.410E+14 0.00 5.017E+03 172DUP 173!R73 174CH2OH+H<=>CH2O+H2 6.000E+12 0.00 0.000E+00 175!R74 176CH2OH+HO2<=>CH2O+H2O2 1.200E+13 0.00 0.000E+00 177!R75 178CH2OH+HCO<=>CH2O+CH2O 1.800E+14 0.00 0.000E+00 179!R78 180OH+CH2OH<=>H2O+CH2O 2.400E+13 0.00 0.000E+00 181!R79 182O+CH2OH<=>OH+CH2O 4.200E+13 0.00 0.000E+00 183!R94 184CH3+H(+M)<=>CH4(+M) 1.270E+16 -0.60 3.830E+02 185LOW / 1.9816E+33 -4.7600E+00 2.4440E+03 / 186TROE / 7.8300E-01 7.4000E+01 2.9400E+03 6.9600E+03 / !TROE FALL-OFF REACTION 187H2/2/ H2O/6/ CO/1.5/ CO2/2/ CH4/2/ 188!R95 189CH4+H<=>CH3+H2 6.140E+05 2.50 9.587E+03 190!R96 191CH4+OH<=>CH3+H2O 5.830E+04 2.60 2.190E+03 192!R97 193CH4+O<=>CH3+OH 1.020E+09 1.50 8.600E+03 194!R98 195CH4+HO2<=>CH3+H2O2 1.130E+01 3.74 2.101E+04 196!R99 197CH4+CH2<=>CH3+CH3 2.460E+06 2.00 8.270E+03 198!R100 199CH3+OH<=>CH2O+H2 8.000E+09 0.50 -1.755E+03 200!R101 201CH3+OH<=>CH2(S)+H2O 4.508E+17 -1.34 1.417E+03 202!R102 203CH3+OH<=>CH3O+H 6.943E+07 1.34 1.120E+04 204!R103 205CH3+OH<=>CH2OH+H 3.090E+07 1.60 4.506E+03 206!R104 207CH3+OH<=>CH2+H2O 5.600E+07 1.60 5.420E+03 208!R105 209CH3+HO2<=>CH3O+OH 1.000E+12 0.27 -6.875E+02 210!R106 211CH3+HO2<=>CH4+O2 1.160E+05 2.23 -3.022E+03 212!R107 213CH3+O<=>CH2O+H 5.540E+13 0.05 -1.360E+02 214!R108 215CH3+O2<=>CH3O+O 7.546E+12 0.00 2.832E+04 216!R109 217CH3+O2<=>CH2O+OH 2.641E+00 3.28 8.105E+03 218!R110 219CH3+O2(+M)<=>CH3O2(+M) 7.812E+09 0.90 0.000E+00 220LOW / 6.8500E+24 -3.0000E+00 0.0000E+00 / 221TROE / 6.0000E-01 1.0000E+03 7.0000E+01 1.7000E+03 / !TROE FALL-OFF REACTION 222!R111 223CH3O2+CH2O<=>CH3O2H+HCO 1.990E+12 0.00 1.166E+04 224!R112 225CH4+CH3O2<=>CH3+CH3O2H 1.810E+11 0.00 1.848E+04 226!R114 227CH3O2+CH3<=>CH3O+CH3O 5.080E+12 0.00 -1.411E+03 228!R115 229CH3O2+HO2<=>CH3O2H+O2 2.470E+11 0.00 -1.570E+03 230!R117 231CH3O2+CH3O2<=>O2+CH3O+CH3O 1.400E+16 -1.61 1.860E+03 232!R118 233CH3O2+H<=>CH3O+OH 9.600E+13 0.00 0.000E+00 234!R119 235CH3O2+O<=>CH3O+O2 3.600E+13 0.00 0.000E+00 236!R121 237CH3O2H<=>CH3O+OH 6.310E+14 0.00 4.230E+04 238!R122 239CH2(S)<=>CH2 1.000E+13 0.00 0.000E+00 240!R123 241CH2(S)+CH4<=>CH3+CH3 1.600E+13 0.00 -5.700E+02 242!R124 243CH2(S)+O2<=>CO+OH+H 7.000E+13 0.00 0.000E+00 244!R125 245CH2(S)+H2<=>CH3+H 7.000E+13 0.00 0.000E+00 246!R126 247CH2(S)+H<=>CH2+H 3.000E+13 0.00 0.000E+00 248!R128 249CH2(S)+O<=>CO+H+H 3.000E+13 0.00 0.000E+00 250!R129 251CH2(S)+OH<=>CH2O+H 3.000E+13 0.00 0.000E+00 252!R130 253CH2(S)+CO2<=>CH2O+CO 3.000E+12 0.00 0.000E+00 254!R131 255CH2+H(+M)<=>CH3(+M) 2.500E+16 -0.80 0.000E+00 256LOW / 3.2000E+27 -3.1400E+00 1.2300E+03 / 257TROE / 6.8000E-01 7.8000E+01 1.9950E+03 5.5900E+03 / !TROE FALL-OFF REACTION 258H2/2/ H2O/6/ CO/1.5/ CO2/2/ CH4/2/ 259!R132 260CH2+O2<=>CH2O+O 2.400E+12 0.00 1.500E+03 261!R133 262CH2+O2<=>CO2+H+H 5.800E+12 0.00 1.500E+03 263!R134 264CH2+O2<=>CO+OH+H 5.000E+12 0.00 1.500E+03 265!R135 266CH2+O<=>CO+H+H 5.000E+13 0.00 0.000E+00 267!R159 268C2H4+H(+M)<=>C2H5(+M) 1.081E+12 0.45 1.822E+03 269LOW / 1.2000E+42 -7.6200E+00 6.9700E+03 / 270TROE / 9.7500E-01 2.1000E+02 9.8400E+02 4.3740E+03 / !TROE FALL-OFF REACTION 271H2/2/ H2O/6/ CO/1.5/ CO2/2/ CH4/2/ 272!R160 273H2+CH3O2<=>H+CH3O2H 1.500E+14 0.00 2.603E+04 274!R162 275C2H5+C2H3<=>C2H4+C2H4 6.859E+11 0.11 -4.300E+03 276!R163 277CH3+C2H5<=>CH4+C2H4 1.180E+04 2.45 -2.921E+03 278!R164 279C2H5+H<=>CH3+CH3 9.690E+13 0.00 2.200E+02 280!R165 281C2H5+H<=>C2H4+H2 2.000E+12 0.00 0.000E+00 282!R166 283C2H5+O<=>CH3CHO+H 1.100E+14 0.00 0.000E+00 284!R167 285C2H5+HO2<=>C2H5O+OH 1.100E+13 0.00 0.000E+00 286!R168 287CH3O2+C2H5<=>CH3O+C2H5O 8.000E+12 0.00 -1.000E+03 288!R169 289C2H5O+O2<=>CH3CHO+HO2 4.280E+10 0.00 1.097E+03 290!R170 291C2H5O<=>CH3+CH2O 1.321E+20 -2.02 2.075E+04 292!R171 293C2H5O<=>CH3CHO+H 5.428E+15 -0.69 2.223E+04 294!R179 295C2H5+O2<=>C2H4+HO2 3.780E+14 -1.01 4.749E+03 296DUP 297!R180 298C2H5+O2<=>C2H4+HO2 4.000E-01 3.88 1.362E+04 299DUP 300!R182 301C2H5+O2<=>CH3CHO+OH 8.265E+02 2.41 5.285E+03 302!R195 303C2H3O1-2<=>CH3CO 8.500E+14 0.00 1.400E+04 304!R196 305C2H3O1-2<=>CH2CHO 1.000E+14 0.00 1.400E+04 306!R197 307CH3CHO<=>CH3+HCO 7.687E+20 -1.34 8.695E+04 308!R198 309CH3CHO+H<=>CH3CO+H2 2.370E+13 0.00 3.642E+03 310!R199 311CH3CHO+O<=>CH3CO+OH 5.940E+12 0.00 1.868E+03 312!R200 313CH3CHO+OH<=>CH3CO+H2O 3.370E+12 0.00 -6.190E+02 314!R201 315CH3CHO+O2<=>CH3CO+HO2 3.010E+13 0.00 3.915E+04 316!R202 317CH3CHO+CH3<=>CH3CO+CH4 7.080E-04 4.58 1.966E+03 318!R203 319CH3CHO+HO2<=>CH3CO+H2O2 3.010E+12 0.00 1.192E+04 320!R204 321CH3O2+CH3CHO<=>CH3O2H+CH3CO 3.010E+12 0.00 1.192E+04 322!R207 323CH3CHO+OH<=>CH2CHO+H2O 1.720E+05 2.40 8.150E+02 324!R208 325CH3CO(+M)<=>CH3+CO(+M) 3.000E+12 0.00 1.672E+04 326LOW / 1.2000E+15 0.0000E+00 1.2518E+04 / !LINDEMANN FALL-OFF REACTION 327!R221 328CH2CHO+O2<=>CH2O+CO+OH 8.950E+13 -0.60 1.012E+04 329!R237 330C2H3+H(+M)<=>C2H4(+M) 6.080E+12 0.27 2.800E+02 331LOW / 1.4000E+30 -3.8600E+00 3.3200E+03 / 332TROE / 7.8200E-01 2.0750E+02 2.6630E+03 6.0950E+03 / !TROE FALL-OFF REACTION 333H2/2/ H2O/6/ CO/1.5/ CO2/2/ CH4/2/ 334!R239 335C2H4+H<=>C2H3+H2 5.070E+07 1.93 1.295E+04 336!R240 337C2H4+O<=>CH3+HCO 8.564E+06 1.88 1.830E+02 338!R241 339C2H4+O<=>CH2CHO+H 4.986E+06 1.88 1.830E+02 340!R242 341C2H4+OH<=>C2H3+H2O 1.800E+06 2.00 2.500E+03 342!R243 343C2H4+CH3<=>C2H3+CH4 6.620E+00 3.70 9.500E+03 344!R244 345C2H4+O2<=>C2H3+HO2 4.000E+13 0.00 5.820E+04 346!R246 347C2H4+CH3O2<=>C2H3+CH3O2H 2.230E+12 0.00 1.719E+04 348!R253 349CH2(S)+CH3<=>C2H4+H 2.000E+13 0.00 0.000E+00 350!R256 351C2H3+O2<=>CH2O+HCO 8.500E+28 -5.31 6.500E+03 352!R257 353C2H3+O2<=>CH2CHO+O 5.500E+14 -0.61 5.260E+03 354!R271 355C2H5OH(+M)<=>CH2OH+CH3(+M) 2.000E+23 -1.68 9.640E+04 356LOW / 3.1100E+85 -1.8840E+01 1.1310E+05 / 357TROE / 5.0000E-01 5.5000E+02 8.2500E+02 6.1000E+03 / !TROE FALL-OFF REACTION 358H2/2/ H2O/5/ CO/2/ CO2/3/ 359!R272 360C2H5OH(+M)<=>C2H5+OH(+M) 2.400E+23 -1.62 9.954E+04 361LOW / 5.1100E+85 -1.8800E+01 1.1877E+05 / 362TROE / 5.0000E-01 6.5000E+02 8.0000E+02 1.0000E+15 / !TROE FALL-OFF REACTION 363H2/2/ H2O/5/ CO/2/ CO2/3/ 364!R273 365C2H5OH(+M)<=>C2H4+H2O(+M) 1.320E+05 2.52 6.066E+04 366LOW / 3.0900E+55 -1.0920E+01 6.2644E+04 / 367TROE / 8.9700E-01 1.0000E+10 1.0000E+00 5.0000E+09 / !TROE FALL-OFF REACTION 368H2O/5/ 369!R274 370C2H5OH(+M)<=>CH3CHO+H2(+M) 7.240E+11 0.10 9.101E+04 371LOW / 4.4600E+87 -1.9420E+01 1.1558E+05 / 372TROE / 9.0000E-01 9.0000E+02 1.1000E+03 3.5000E+03 / !TROE FALL-OFF REACTION 373H2O/5/ 374!R275 375C2H5OH+O2<=>PC2H4OH+HO2 2.000E+13 0.00 5.280E+04 376!R276 377C2H5OH+O2<=>SC2H4OH+HO2 1.500E+13 0.00 5.015E+04 378!R277 379C2H5OH+OH<=>PC2H4OH+H2O 1.810E+11 0.40 7.170E+02 380!R278 381C2H5OH+OH<=>SC2H4OH+H2O 5.560E+10 0.50 -3.800E+02 382!R279 383C2H5OH+OH<=>C2H5O+H2O 1.500E+10 0.80 2.534E+03 384!R280 385C2H5OH+H<=>PC2H4OH+H2 1.880E+03 3.20 7.150E+03 386!R281 387C2H5OH+H<=>SC2H4OH+H2 1.790E+05 2.53 3.420E+03 388!R282 389C2H5OH+H<=>C2H5O+H2 5.360E+04 2.53 4.405E+03 390!R283 391C2H5OH+HO2<=>PC2H4OH+H2O2 2.379E+04 2.55 1.649E+04 392!R284 393C2H5OH+HO2<=>SC2H4OH+H2O2 6.000E+12 0.00 1.600E+04 394!R285 395C2H5OH+HO2<=>C2H5O+H2O2 2.500E+12 0.00 2.400E+04 396!R286 397C2H5OH+CH3O2<=>PC2H4OH+CH3O2H 1.230E+04 2.55 1.575E+04 398!R287 399C2H5OH+CH3O2<=>SC2H4OH+CH3O2H 8.200E+03 2.55 1.075E+04 400!R288 401C2H5OH+CH3O2<=>C2H5O+CH3O2H 2.500E+12 0.00 2.400E+04 402!R289 403C2H5OH+O<=>PC2H4OH+OH 9.690E+02 3.23 4.658E+03 404!R290 405C2H5OH+O<=>SC2H4OH+OH 1.450E+05 2.47 8.760E+02 406!R291 407C2H5OH+O<=>C2H5O+OH 1.460E-03 4.73 1.727E+03 408!R292 409C2H5OH+CH3<=>PC2H4OH+CH4 3.300E+02 3.30 1.229E+04 410!R293 411C2H5OH+CH3<=>SC2H4OH+CH4 1.993E+01 3.37 7.634E+03 412!R294 413C2H5OH+CH3<=>C2H5O+CH4 2.035E+00 3.57 7.721E+03 414!R297 415PC2H4OH<=>C2H4+OH 1.047E+25 -3.99 3.039E+04 416!R298 417SC2H4OH+M<=>CH3CHO+H+M 1.000E+14 0.00 2.500E+04 418!R299 419O2C2H4OH<=>PC2H4OH+O2 3.900E+16 -1.00 3.000E+04 420!R300 421O2C2H4OH<=>OH+CH2O+CH2O 3.125E+09 0.00 1.890E+04 422!R301 423SC2H4OH+O2<=>CH3CHO+HO2 3.810E+06 2.00 1.641E+03 424!R513 425 N+OH=NO+H 3.8E13 0.000 0 ! SKR/GLA04 FLO/HAN77,HOW/SMI80 426!R514 427 N+O2=NO+O 6.4E09 1.000 6280 ! SKR/GLA04 BAU/DRY73 428!R515 429 N+NO=N2+O 2.1E13 0.000 0 ! TIA/QI09 CEC05 430!R551 431 NO+O(+M)=NO2(+M) 1.3E15 -0.750 0 ! RAS/GLA08 ALL/DRY97,NBS91 432 LOW /4.72E24 -2.87 1550/ ! RAS/GLA08 ALL/DRY97 (FC=0.95-1E-04*T) 433 TROE /0.880 1E03 1E04 1E30/ ! RAS/GLA08A 434 ! 435!R552 436! NO+O(+AR)=NO2(+AR) 1.3E15 -0.750 0 ! RAS/GLA08ALL/DRY97,NBS91 437! LOW /7.56E19 -1.41 0/ ! RAS/GLA08 YAR/SUT91 (FC=0.95-1E-04*T) 438! TROE /0.750 1E03 1E05 1E30/ ! RAS/GLA08A 439!R554 440 NO+HO2=NO2+OH 2.1E12 0.000 -497 ! RAS/GLA08 CEC05 441!R555 442 NO2+H=NO+OH 1.3E14 0.000 362 ! RAS/GLA08 KO/FON91 443!R556 444 NO2+O=NO+O2 1.1E14 -0.520 0 ! RAS/GLA08 BEM/CLY74 445!R561 446 NO2+NO2=NO+NO+O2 4.5E12 0.000 27599 ! RAS/GLA08 PAR/LIN98 447!R570 448 N2O(+M)=N2+O(+M) 1.3E12 0.000 62570 ! SKR/GLA04 JOH/GLA92,ROH/HAN96 449 LOW/4.0E14 0 56600/ 450 N2/1.7/ O2/1.4/ CO2/3.0/ H2O/12/ ! 451!R571 452 N2O+H=N2+OH 6.4E07 1.835 13492 ! PW 453!R572 454 N2O+O=NO+NO 9.2E13 0.000 27679 ! SKR/GLA04 MEA/AND00 455!R573 456 N2O+O=N2+O2 3.7E12 0.000 15936 ! SKR/GLA04 MEA/AND00 457!R574 458 N2O+OH=N2+HO2 1.3E-2 4.720 36560 ! SKR/GLA04 MEB/LIN96 459!R576 460 N2O+NO=NO2+N2 5.3E05 2.230 46280 ! SKR/GLA04 MEB/LIN96! 461!END 462! A 30-SPECIES SKELETAL MECHANISM BASED ON GRI3.0 463! 464! BY TIANFENG LU 465! EMAIL: TLU@ENGR.UCONN.EDU 466! 467! REFERENCE: 468! TIANFENG LU AND CHUNG K. LAW, 469! "A CRITERION BASED ON COMPUTATIONAL SINGULAR PERTURBATION 470! FOR THE IDENTIFICATION OF QUASI STEADY STATE SPECIES: 471! A REDUCED MECHANISM FOR METHANE OXIDATION WITH NO CHEMISTRY," 472! COMBUSTION AND FLAME, VOL.154 NO.4 PP.761-774, 2008. 473! 474!R1 = R6 earlier 475!!d 2O+M<=>O2+M 1.200E+17 -1.000 .00 476!!d H2/ 2.40/ H2O/15.40/ CH4/ 2.00/ CO/ 1.75/ CO2/ 3.60/ C2H6/ 3.00/ 477!R2 = R7 earlier 478!!d O+H+M<=>OH+M 5.000E+17 -1.000 .00 479!!d H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 480!R3 481!!O+H2<=>H+OH 3.870E+04 2.700 6260.00 482!R4 483!!O+HO2<=>OH+O2 2.000E+13 .000 .00 484!R5 485!!O+H2O2<=>OH+HO2 9.630E+06 2.000 4000.00 486!R6 487O+CH<=>H+CO 5.700E+13 .000 .00 488!R7 489O+CH2<=>H+HCO 8.000E+13 .000 .00 490!R8 491O+CH2(S)<=>H2+CO 1.500E+13 .000 .00 492!R9 493O+CH2(S)<=>H+HCO 1.500E+13 .000 .00 494!R10 495!!O+CH3<=>H+CH2O 5.060E+13 .000 .00 496!R11 497!!O+CH4<=>OH+CH3 1.020E+09 1.500 8600.00 498!R12 499!!O+CO(+M)<=>CO2(+M) 1.800E+10 .000 2385.00 500!! LOW/ 6.020E+14 .000 3000.00/ 501!!H2/2.00/ O2/6.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/3.50/ C2H6/3.00/ 502!R13 503!!O+HCO<=>OH+CO 3.000E+13 .000 .00 504!R14 505!!O+HCO<=>H+CO2 3.000E+13 .000 .00 506!R15 507!!O+CH2O<=>OH+HCO 3.900E+13 .000 3540.00 508!R16 509!!O+CH2OH<=>OH+CH2O 1.000E+13 .000 .00 510!R17 511O+CH3O<=>OH+CH2O 1.000E+13 .000 .00 512!R18 513O+CH3OH<=>OH+CH2OH 3.880E+05 2.500 3100.00 514!R19 515O+CH3OH<=>OH+CH3O 1.300E+05 2.500 5000.00 516!R20 517O+C2H2<=>H+HCCO 1.350E+07 2.000 1900.00 518!R21 519O+C2H2<=>CO+CH2 6.940E+06 2.000 1900.00 520!R22 521O+C2H3<=>H+CH2CO 3.000E+13 .000 .00 522!R23 523!!O+C2H4<=>CH3+HCO 1.250E+07 1.830 220.00 524!R24 525O+C2H5<=>CH3+CH2O 2.240E+13 .000 .00 526!R25 527O+C2H6<=>OH+C2H5 8.980E+07 1.920 5690.00 528!R26 529O+HCCO<=>H+2CO 1.000E+14 .000 .00 530!R27 531O+CH2CO<=>OH+HCCO 1.000E+13 .000 8000.00 532!R28 533O+CH2CO<=>CH2+CO2 1.750E+12 .000 1350.00 534!R29 535!!O2+CO<=>O+CO2 2.500E+12 .000 47800.00 536!R30 537!!O2+CH2O<=>HO2+HCO 1.000E+14 .000 40000.00 538!R31 539!!H+O2+M<=>HO2+M 2.800E+18 -.860 .00 540!!O2/ .00/ H2O/ .00/ CO/ .75/ CO2/1.50/ C2H6/1.50/ N2/ .00/ 541!R32 542H+2O2<=>HO2+O2 2.080E+19 -1.240 .00 543!R33 544H+O2+H2O<=>HO2+H2O 11.26E+18 -.760 .00 545!R34 546H+O2+N2<=>HO2+N2 2.600E+19 -1.240 .00 547!R35 548!!H+O2<=>O+OH 2.650E+16 -.6707 17041.00 549!R36 550!!2H+M<=>H2+M 1.000E+18 -1.000 .00 551!!H2/ .00/ H2O/ .00/ CH4/2.00/ CO2/ .00/ C2H6/3.00/ 552!R37 5532H+H2<=>2H2 9.000E+16 -.600 .00 554!R38 5552H+H2O<=>H2+H2O 6.000E+19 -1.250 .00 556!R39 5572H+CO2<=>H2+CO2 5.500E+20 -2.000 .00 558!R40 559!!H+OH+M<=>H2O+M 2.200E+22 -2.000 .00 560!!H2/ .73/ H2O/3.65/ CH4/2.00/ C2H6/3.00/ 561!R41 562H+HO2<=>O+H2O 3.970E+12 .000 671.00 563!R42 564!!H+HO2<=>O2+H2 4.480E+13 .000 1068.00 565!R43 566!!H+HO2<=>2OH 0.840E+14 .000 635.00 567!R44 568!!H+H2O2<=>HO2+H2 1.210E+07 2.000 5200.00 569!R45 570!!H+H2O2<=>OH+H2O 1.000E+13 .000 3600.00 571!R46 572H+CH<=>C+H2 1.650E+14 .000 .00 573!R47 574!!H+CH2(+M)<=>CH3(+M) 6.000E+14 .000 .00 575!! LOW / 1.040E+26 -2.760 1600.00/ 576!! TROE/ .5620 91.00 5836.00 8552.00/ 577!! H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 578!R48 579H+CH2(S)<=>CH+H2 3.000E+13 .000 .00 580!R49 581!!H+CH3(+M)<=>CH4(+M) 13.90E+15 -.534 536.00 582!! LOW / 2.620E+33 -4.760 2440.00/ 583!! TROE/ .7830 74.00 2941.00 6964.00 / 584!!H2/2.00/ H2O/6.00/ CH4/3.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 585!R50 586!!H+CH4<=>CH3+H2 6.600E+08 1.620 10840.00 587!R51 588!!H+HCO(+M)<=>CH2O(+M) 1.090E+12 .480 -260.00 589!! LOW / 2.470E+24 -2.570 425.00/ 590!! TROE/ .7824 271.00 2755.00 6570.00 / 591!! H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 592!R52 593!!H+HCO<=>H2+CO 7.340E+13 .000 .00 594!R53 595!!H+CH2O(+M)<=>CH2OH(+M) 5.400E+11 .454 3600.00 596!! LOW / 1.270E+32 -4.820 6530.00/ 597!! TROE/ .7187 103.00 1291.00 4160.00 / 598!! H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 599!R54 600!!H+CH2O(+M)<=>CH3O(+M) 5.400E+11 .454 2600.00 601!! LOW / 2.200E+30 -4.800 5560.00/ 602!! TROE/ .7580 94.00 1555.00 4200.00 / 603!! H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 604!R55 605!! H+CH2O<=>HCO+H2 5.740E+07 1.900 2742.00 606!R56 607H+CH2OH(+M)<=>CH3OH(+M) 1.055E+12 .500 86.00 608 LOW / 4.360E+31 -4.650 5080.00/ 609 TROE/ .600 100.00 90000.0 10000.0 / 610H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 611!R57 612!! H+CH2OH<=>H2+CH2O 2.000E+13 .000 .00 613!R58 614!! H+CH2OH<=>OH+CH3 1.650E+11 .650 -284.00 615!R59 616H+CH2OH<=>CH2(S)+H2O 3.280E+13 -.090 610.00 617!R60 618H+CH3O(+M)<=>CH3OH(+M) 2.430E+12 .515 50.00 619 LOW / 4.660E+41 -7.440 14080.0/ 620 TROE/ .700 100.00 90000.0 10000.00 / 621H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 622!R61 623H+CH3O<=>H+CH2OH 4.150E+07 1.630 1924.00 624!R62 625!! H+CH3O<=>H2+CH2O 2.000E+13 .000 .00 626!R63 627!! H+CH3O<=>OH+CH3 1.500E+12 .500 -110.00 628!R64 629H+CH3O<=>CH2(S)+H2O 2.620E+14 -.230 1070.00 630!R65 631H+CH3OH<=>CH2OH+H2 1.700E+07 2.100 4870.00 632!R66 633H+CH3OH<=>CH3O+H2 4.200E+06 2.100 4870.00 634!R67 635H+C2H2(+M)<=>C2H3(+M) 5.600E+12 .000 2400.00 636 LOW / 3.800E+40 -7.270 7220.00/ 637 TROE/ .7507 98.50 1302.00 4167.00 / 638H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 639!R68 640!!H+C2H3(+M)<=>C2H4(+M) 6.080E+12 .270 280.00 641!! LOW / 1.400E+30 -3.860 3320.00/ 642!! TROE/ .7820 207.50 2663.00 6095.00 / 643!! H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 644!R69 645H+C2H3<=>H2+C2H2 3.000E+13 .000 .00 646!R70 647!! H+C2H4(+M)<=>C2H5(+M) 0.540E+12 .454 1820.00 648!! LOW / 0.600E+42 -7.620 6970.00/ 649!! TROE/ .9753 210.00 984.00 4374.00 / 650!! H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 651!R71 652!! H+C2H4<=>C2H3+H2 1.325E+06 2.530 12240.00 653!R72 654H+C2H5(+M)<=>C2H6(+M) 5.210E+17 -.990 1580.00 655 LOW / 1.990E+41 -7.080 6685.00/ 656 TROE/ .8422 125.00 2219.00 6882.00 / 657H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 658!R73 659!! H+C2H5<=>H2+C2H4 2.000E+12 .000 .00 660!R74 661H+C2H6<=>C2H5+H2 1.150E+08 1.900 7530.00 662!R75 663H+HCCO<=>CH2(S)+CO 1.000E+14 .000 .00 664!R76 665H+CH2CO<=>HCCO+H2 5.000E+13 .000 8000.00 666!R77 667H+CH2CO<=>CH3+CO 1.130E+13 .000 3428.00 668!R78 669!!H2+CO(+M)<=>CH2O(+M) 4.300E+07 1.500 79600.00 670!! LOW / 5.070E+27 -3.420 84350.00/ 671!! TROE/ .9320 197.00 1540.00 10300.00 / 672!! H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 673!R79 674!! OH+H2<=>H+H2O 2.160E+08 1.510 3430.00 675!R80 676!!x2OH(+M)<=>H2O2(+M) 7.400E+13 -.370 .00 677!!x LOW / 2.300E+18 -.900 -1700.00/ 678!!x TROE/ .7346 94.00 1756.00 5182.00 / 679!!x H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 680!R81 681!!x2OH<=>O+H2O 3.570E+04 2.400 -2110.00 682!R82 683!!OH+HO2<=>O2+H2O 1.450E+13 .000 -500.00 684!! DUPLICATE 685!R83 686OH+H2O2<=>HO2+H2O 2.000E+12 .000 427.00 687 DUPLICATE 688!R84 689OH+H2O2<=>HO2+H2O 1.700E+18 .000 29410.00 690 DUPLICATE 691!R85 692OH+C<=>H+CO 5.000E+13 .000 .00 693!R86 694OH+CH<=>H+HCO 3.000E+13 .000 .00 695!R87 696OH+CH2<=>H+CH2O 2.000E+13 .000 .00 697!R88 698OH+CH2<=>CH+H2O 1.130E+07 2.000 3000.00 699!R89 700!!OH+CH2(S)<=>H+CH2O 3.000E+13 .000 .00 701!R90 702OH+CH3(+M)<=>CH3OH(+M) 2.790E+18 -1.430 1330.00 703 LOW / 4.000E+36 -5.920 3140.00/ 704 TROE/ .4120 195.0 5900.00 6394.00/ 705H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 706!R91 707!!OH+CH3<=>CH2+H2O 5.600E+07 1.600 5420.00 708!R92 709!!OH+CH3<=>CH2(S)+H2O 6.440E+17 -1.340 1417.00 710!R93 711!! OH+CH4<=>CH3+H2O 1.000E+08 1.600 3120.00 712!R94 713!! OH+CO<=>H+CO2 4.760E+07 1.228 70.00 714!R95 715!! OH+HCO<=>H2O+CO 5.000E+13 .000 .00 716!R96 717!! OH+CH2O<=>HCO+H2O 3.430E+09 1.180 -447.00 718!R97 719!! OH+CH2OH<=>H2O+CH2O 5.000E+12 .000 .00 720!R98 721OH+CH3O<=>H2O+CH2O 5.000E+12 .000 .00 722!R99 723OH+CH3OH<=>CH2OH+H2O 1.440E+06 2.000 -840.00 724!R100 725OH+CH3OH<=>CH3O+H2O 6.300E+06 2.000 1500.00 726!R101 727OH+C2H2<=>H+CH2CO 2.180E-04 4.500 -1000.00 728!R102 729OH+C2H2<=>CH3+CO 4.830E-04 4.000 -2000.00 730!R103 731OH+C2H3<=>H2O+C2H2 5.000E+12 .000 .00 732!R104 733!! OH+C2H4<=>C2H3+H2O 3.600E+06 2.000 2500.00 734!R105 735OH+C2H6<=>C2H5+H2O 3.540E+06 2.120 870.00 736!R106 737OH+CH2CO<=>HCCO+H2O 7.500E+12 .000 2000.00 738!R107 7392HO2<=>O2+H2O2 1.300E+11 .000 -1630.00 740 DUPLICATE 741!R108 7422HO2<=>O2+H2O2 4.200E+14 .000 12000.00 743 DUPLICATE 744!R109 745HO2+CH2<=>OH+CH2O 2.000E+13 .000 .00 746!R110 747!!HO2+CH3<=>O2+CH4 1.000E+12 .000 .00 748!R111 749!!HO2+CH3<=>OH+CH3O 3.780E+13 .000 .00 750!R112 751!!HO2+CO<=>OH+CO2 1.500E+14 .000 23600.00 752!R113 753!! HO2+CH2O<=>HCO+H2O2 5.600E+06 2.000 12000.00 754!R114 755C+O2<=>O+CO 5.800E+13 .000 576.00 756!R115 757C+CH3<=>H+C2H2 5.000E+13 .000 .00 758!R116 759CH+O2<=>O+HCO 6.710E+13 .000 .00 760!R117 761CH+H2<=>H+CH2 1.080E+14 .000 3110.00 762!R118 763CH+H2O<=>H+CH2O 5.710E+12 .000 -755.00 764!R119 765CH+CH2<=>H+C2H2 4.000E+13 .000 .00 766!R120 767CH+CH3<=>H+C2H3 3.000E+13 .000 .00 768!R121 769CH+CH4<=>H+C2H4 6.000E+13 .000 .00 770!R122 771CH+CO(+M)<=>HCCO(+M) 5.000E+13 .000 .00 772 LOW / 2.690E+28 -3.740 1936.00/ 773 TROE/ .5757 237.00 1652.00 5069.00 / 774H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 775!R123 776CH+CO2<=>HCO+CO 1.900E+14 .000 15792.00 777!R124 778CH+CH2O<=>H+CH2CO 9.460E+13 .000 -515.00 779!R125 780CH+HCCO<=>CO+C2H2 5.000E+13 .000 .00 781!R126 782!!CH2+O2=>OH+H+CO 5.000E+12 .000 1500.00 783!R127 784CH2+H2<=>H+CH3 5.000E+05 2.000 7230.00 785!R128 7862CH2<=>H2+C2H2 1.600E+15 .000 11944.00 787!R129 788CH2+CH3<=>H+C2H4 4.000E+13 .000 .00 789!R130 790!!CH2+CH4<=>2CH3 2.460E+06 2.000 8270.00 791!R131 792CH2+CO(+M)<=>CH2CO(+M) 8.100E+11 .500 4510.00 793 LOW / 2.690E+33 -5.110 7095.00/ 794 TROE/ .5907 275.00 1226.00 5185.00 / 795H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 796!R132 797CH2+HCCO<=>C2H3+CO 3.000E+13 .000 .00 798!R133 799CH2(S)+N2<=>CH2+N2 1.500E+13 .000 600.00 800!R134 801!!CH2(S)+O2<=>H+OH+CO 2.800E+13 .000 .00 802!R135 803CH2(S)+O2<=>CO+H2O 1.200E+13 .000 .00 804!R136 805!!CH2(S)+H2<=>CH3+H 7.000E+13 .000 .00 806!R137 807CH2(S)+H2O(+M)<=>CH3OH(+M) 4.820E+17 -1.160 1145.00 808 LOW / 1.880E+38 -6.360 5040.00/ 809 TROE/ .6027 208.00 3922.00 10180.0 / 810H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 811!R138 812CH2(S)+H2O<=>CH2+H2O 3.000E+13 .000 .00 813!R139 814!!CH2(S)+CH3<=>H+C2H4 1.200E+13 .000 -570.00 815!R140 816!!CH2(S)+CH4<=>2CH3 1.600E+13 .000 -570.00 817!R141 818CH2(S)+CO<=>CH2+CO 9.000E+12 .000 .00 819!R142 820CH2(S)+CO2<=>CH2+CO2 7.000E+12 .000 .00 821!R143 822!!CH2(S)+CO2<=>CO+CH2O 1.400E+13 .000 .00 823!R144 824CH2(S)+C2H6<=>CH3+C2H5 4.000E+13 .000 -550.00 825!R145 826!!CH3+O2<=>O+CH3O 3.560E+13 .000 30480.00 827!R146 828!!CH3+O2<=>OH+CH2O 2.310E+12 .000 20315.00 829!R147 830!!CH3+H2O2<=>HO2+CH4 2.450E+04 2.470 5180.00 831!R148 8322CH3(+M)<=>C2H6(+M) 6.770E+16 -1.180 654.00 833 LOW / 3.400E+41 -7.030 2762.00/ 834 TROE/ .6190 73.20 1180.00 9999.00 / 835H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 836!R149 837!!2CH3<=>H+C2H5 6.840E+12 .100 10600.00 838!R150 839!!CH3+HCO<=>CH4+CO 2.648E+13 .000 .00 840!R151 841!!CH3+CH2O<=>HCO+CH4 3.320E+03 2.810 5860.00 842!R152 843CH3+CH3OH<=>CH2OH+CH4 3.000E+07 1.500 9940.00 844!R153 845CH3+CH3OH<=>CH3O+CH4 1.000E+07 1.500 9940.00 846!R154 847!!CH3+C2H4<=>C2H3+CH4 2.270E+05 2.000 9200.00 848!R155 849CH3+C2H6<=>C2H5+CH4 6.140E+06 1.740 10450.00 850!R156 851HCO+H2O<=>H+CO+H2O 1.500E+18 -1.000 17000.00 852!R157 853!!HCO+M<=>H+CO+M 1.870E+17 -1.000 17000.00 854!!H2/2.00/ H2O/ .00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 855!R158 856!!HCO+O2<=>HO2+CO 13.45E+12 .000 400.00 857!R159 858!!CH2OH+O2<=>HO2+CH2O 1.800E+13 .000 900.00 859!R160 860!!CH3O+O2<=>HO2+CH2O 4.280E-13 7.600 -3530.00 861!R161 862!!C2H3+O2<=>HCO+CH2O 4.580E+16 -1.390 1015.00 863!R162 864C2H4(+M)<=>H2+C2H2(+M) 8.000E+12 .440 86770.00 865 LOW / 1.580E+51 -9.300 97800.00/ 866 TROE/ .7345 180.00 1035.00 5417.00 / 867H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 868!R163 869!!C2H5+O2<=>HO2+C2H4 8.400E+11 .000 3875.00 870!R164 871HCCO+O2<=>OH+2CO 3.200E+12 .000 854.00 872!R165 8732HCCO<=>2CO+C2H2 1.000E+13 .000 .00 874!R166 875O+CH3=>H+H2+CO 3.370E+13 .000 .00 876!R167 877!!O+C2H4<=>H+CH2CHO 6.700E+06 1.830 220.00 878!R168 879!!OH+HO2<=>O2+H2O 0.500E+16 .000 17330.00 880!! DUPLICATE 881!R169 882!!OH+CH3=>H2+CH2O 8.000E+09 .500 -1755.00 883!R170 884CH+H2(+M)<=>CH3(+M) 1.970E+12 .430 -370.00 885 LOW/ 4.820E+25 -2.80 590.0 / 886 TROE/ .578 122.0 2535.0 9365.0 / 887H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 888!R171 889!!CH2+O2=>2H+CO2 5.800E+12 .000 1500.00 890!R172 891!!CH2+O2<=>O+CH2O 2.400E+12 .000 1500.00 892!R173 893CH2+CH2=>2H+C2H2 2.000E+14 .000 10989.00 894!R174 895CH2(S)+H2O=>H2+CH2O 6.820E+10 .250 -935.00 896!R175 897!!C2H3+O2<=>O+CH2CHO 3.030E+11 .290 11.00 898!R176 899C2H3+O2<=>HO2+C2H2 1.337E+06 1.610 -384.00 900!R177 901H+CH2CO(+M)<=>CH2CHO(+M) 4.865E+11 0.422 -1755.00 902 LOW/ 1.012E+42 -7.63 3854.0/ 903 TROE/ 0.465 201.0 1773.0 5333.0 / 904H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ 905!R178 906O+CH2CHO=>H+CH2+CO2 1.500E+14 .000 .00 907!R179 908!!O2+CH2CHO=>OH+CO+CH2O 1.810E+10 .000 .00 909!R180 910O2+CH2CHO=>OH+2HCO 2.350E+10 .000 .00 911!R181 912H+CH2CHO<=>CH3+HCO 2.200E+13 .000 .00 913!R182 914H+CH2CHO<=>CH2CO+H2 1.100E+13 .000 .00 915!R183 916OH+CH2CHO<=>H2O+CH2CO 1.200E+13 .000 .00 917!R184 918!!OH+CH2CHO<=>HCO+CH2OH 3.010E+13 .000 .00 919END 920