1description: |- 2 GRI-Mech Version 3.0 7/30/99 CHEMKIN-II format 3 See README30 file at anonymous FTP site unix.sri.com, directory gri; 4 WorldWideWeb home page http://www.me.berkeley.edu/gri_mech/ or 5 through http://www.gri.org , under 'Basic Research', 6 for additional information, contacts, and disclaimer 7 8 Updated webpage at http://combustion.berkeley.edu/gri-mech/version30/text30.html 9 10 Modified to add high-temperature thermodynamic polynomials by Joseph 11 Shepherd at CalTech based on data from McBride et al. in NASA TM-4513 12 https://ntrs.nasa.gov/search.jsp?R=19940013151 13 14generator: cti2yaml 15cantera-version: 2.5.0 16date: Wed, 11 Dec 2019 16:59:05 -0500 17input-files: [gri30_highT.cti] 18 19units: {length: cm, quantity: mol, activation-energy: cal/mol} 20 21phases: 22- name: gri30 23 thermo: ideal-gas 24 elements: [O, H, C, N, Ar] 25 species: [H2, H, O, O2, OH, H2O, HO2, H2O2, C, CH, CH2, CH2(S), CH3, CH4, 26 CO, CO2, HCO, CH2O, CH2OH, CH3O, CH3OH, C2H, C2H2, C2H3, C2H4, C2H5, 27 C2H6, HCCO, CH2CO, HCCOH, N, NH, NH2, NH3, NNH, NO, NO2, N2O, HNO, CN, 28 HCN, H2CN, HCNN, HCNO, HOCN, HNCO, NCO, N2, AR, C3H7, C3H8, CH2CHO, 29 CH3CHO] 30 kinetics: gas 31 reactions: all 32 transport: mixture-averaged 33 state: 34 T: 300.0 35 P: 1.01325e+05 36 37species: 38- name: H2 39 composition: {H: 2} 40 thermo: 41 model: NASA7 42 temperature-ranges: [200.0, 1000.0, 6000.0] 43 data: 44 - [2.34433112, 7.98052075e-03, -1.9478151e-05, 2.01572094e-08, -7.37611761e-12, 45 -917.935173, 0.683010238] 46 - [2.93286579, 8.26607967e-04, -1.46402335e-07, 1.54100359e-11, -6.88804432e-16, 47 -813.065597, -1.02432887] 48 transport: 49 model: gas 50 geometry: linear 51 diameter: 2.92 52 well-depth: 38.0 53 polarizability: 0.79 54 rotational-relaxation: 280.0 55 note: TPIS78 56- name: H 57 composition: {H: 1} 58 thermo: 59 model: NASA7 60 temperature-ranges: [200.0, 1000.0, 6000.0] 61 data: 62 - [2.5, 0.0, 0.0, 0.0, 0.0, 2.54736599e+04, -0.446682853] 63 - [2.50000286, -5.65334214e-09, 3.63251723e-12, -9.1994972e-16, 7.95260746e-20, 64 2.54736589e+04, -0.446698494] 65 transport: 66 model: gas 67 geometry: atom 68 diameter: 2.05 69 well-depth: 145.0 70 note: L 7/88 71- name: O 72 composition: {O: 1} 73 thermo: 74 model: NASA7 75 temperature-ranges: [200.0, 1000.0, 6000.0] 76 data: 77 - [3.1682671, -3.27931884e-03, 6.64306396e-06, -6.12806624e-09, 2.11265971e-12, 78 2.91222592e+04, 2.05193346] 79 - [2.54363697, -2.73162486e-05, -4.1902952e-09, 4.95481845e-12, -4.79553694e-16, 80 2.9226012e+04, 4.92229457] 81 transport: 82 model: gas 83 geometry: atom 84 diameter: 2.75 85 well-depth: 80.0 86 note: L 1/90 87- name: O2 88 composition: {O: 2} 89 thermo: 90 model: NASA7 91 temperature-ranges: [200.0, 1000.0, 6000.0] 92 data: 93 - [3.78245636, -2.99673415e-03, 9.847302e-06, -9.68129508e-09, 3.24372836e-12, 94 -1063.94356, 3.65767573] 95 - [3.66096083, 6.56365523e-04, -1.41149485e-07, 2.05797658e-11, -1.29913248e-15, 96 -1215.97725, 3.41536184] 97 transport: 98 model: gas 99 geometry: linear 100 diameter: 3.458 101 well-depth: 107.4 102 polarizability: 1.6 103 rotational-relaxation: 3.8 104 note: TPIS89 105- name: OH 106 composition: {O: 1, H: 1} 107 thermo: 108 model: NASA7 109 temperature-ranges: [200.0, 1000.0, 6000.0] 110 data: 111 - [3.99201543, -2.40131752e-03, 4.61793841e-06, -3.88113333e-09, 1.3641147e-12, 112 3615.08056, -0.103925458] 113 - [2.83864607, 1.10725586e-03, -2.93914978e-07, 4.20524247e-11, -2.42169092e-15, 114 3943.95852, 5.84452662] 115 transport: 116 model: gas 117 geometry: linear 118 diameter: 2.75 119 well-depth: 80.0 120 note: RUS 78 121- name: H2O 122 composition: {H: 2, O: 1} 123 thermo: 124 model: NASA7 125 temperature-ranges: [200.0, 1000.0, 6000.0] 126 data: 127 - [4.19864056, -2.0364341e-03, 6.52040211e-06, -5.48797062e-09, 1.77197817e-12, 128 -3.02937267e+04, -0.849032208] 129 - [2.67703787, 2.97318329e-03, -7.7376969e-07, 9.44336689e-11, -4.26900959e-15, 130 -2.98858938e+04, 6.88255571] 131 transport: 132 model: gas 133 geometry: nonlinear 134 diameter: 2.605 135 well-depth: 572.4 136 dipole: 1.844 137 rotational-relaxation: 4.0 138 note: L 8/89 139- name: HO2 140 composition: {H: 1, O: 2} 141 thermo: 142 model: NASA7 143 temperature-ranges: [200.0, 1000.0, 6000.0] 144 data: 145 - [4.30179801, -4.74912051e-03, 2.11582891e-05, -2.42763894e-08, 9.29225124e-12, 146 294.80804, 3.71666245] 147 - [4.17228728, 1.88117647e-03, -3.46277408e-07, 1.94657853e-11, 1.76254294e-16, 148 61.8102964, 2.95767746] 149 transport: 150 model: gas 151 geometry: nonlinear 152 diameter: 3.458 153 well-depth: 107.4 154 rotational-relaxation: 1.0 155 note: L 5/89 156- name: H2O2 157 composition: {H: 2, O: 2} 158 thermo: 159 model: NASA7 160 temperature-ranges: [200.0, 1000.0, 6000.0] 161 data: 162 - [4.27611269, -5.42822417e-04, 1.67335701e-05, -2.15770813e-08, 8.62454363e-12, 163 -1.77542989e+04, 3.43505074] 164 - [4.57333537, 4.0498407e-03, -1.29479479e-06, 1.9728171e-10, -1.13402846e-14, 165 -1.80548121e+04, 0.704278488] 166 transport: 167 model: gas 168 geometry: nonlinear 169 diameter: 3.458 170 well-depth: 107.4 171 rotational-relaxation: 3.8 172 note: L 7/88 173- name: C 174 composition: {C: 1} 175 thermo: 176 model: NASA7 177 temperature-ranges: [200.0, 1000.0, 6000.0] 178 data: 179 - [2.55423955, -3.21537724e-04, 7.33792245e-07, -7.32234889e-10, 2.66521446e-13, 180 8.54438832e+04, 4.53130848] 181 - [2.60558298, -1.95934335e-04, 1.06737219e-07, -1.6423939e-11, 8.18705752e-16, 182 8.54129443e+04, 4.19238681] 183 transport: 184 model: gas 185 geometry: atom 186 diameter: 3.298 187 well-depth: 71.4 188 note: L11/88 189- name: CH 190 composition: {C: 1, H: 1} 191 thermo: 192 model: NASA7 193 temperature-ranges: [200.0, 1000.0, 6000.0] 194 data: 195 - [3.48981665, 3.23835541e-04, -1.68899065e-06, 3.16217327e-09, -1.40609067e-12, 196 7.07972934e+04, 2.08401108] 197 - [2.52090627, 1.76537235e-03, -4.61475705e-07, 5.92885472e-11, -3.34731962e-15, 198 7.11314363e+04, 7.40532163] 199 transport: 200 model: gas 201 geometry: linear 202 diameter: 2.75 203 well-depth: 80.0 204 note: TPIS79 205- name: CH2 206 composition: {C: 1, H: 2} 207 thermo: 208 model: NASA7 209 temperature-ranges: [200.0, 1000.0, 6000.0] 210 data: 211 - [3.74484879, 1.17960823e-03, 1.94502264e-06, -2.52932506e-09, 1.12447631e-12, 212 4.55799523e+04, 1.62850125] 213 - [2.77723166, 3.83663476e-03, -1.3485322e-06, 2.11641255e-10, -1.23445662e-14, 214 4.58590304e+04, 6.67286429] 215 transport: 216 model: gas 217 geometry: linear 218 diameter: 3.8 219 well-depth: 144.0 220 note: L S/93 221- name: CH2(S) 222 composition: {C: 1, H: 2} 223 thermo: 224 model: NASA7 225 temperature-ranges: [200.0, 1000.0, 6000.0] 226 data: 227 - [4.19331325, -2.33105184e-03, 8.15676451e-06, -6.62985981e-09, 1.93233199e-12, 228 5.03662246e+04, -0.74673431] 229 - [3.13501686, 2.89593926e-03, -8.1666809e-07, 1.13572697e-10, -6.36262835e-15, 230 5.05040504e+04, 4.06030621] 231 transport: 232 model: gas 233 geometry: linear 234 diameter: 3.8 235 well-depth: 144.0 236 note: L S/93 237- name: CH3 238 composition: {C: 1, H: 3} 239 thermo: 240 model: NASA7 241 temperature-ranges: [200.0, 1000.0, 6000.0] 242 data: 243 - [3.6735904, 2.01095175e-03, 5.73021856e-06, -6.87117425e-09, 2.54385734e-12, 244 1.64449988e+04, 1.60456433] 245 - [2.96866033, 5.80717546e-03, -1.97778534e-06, 3.07278752e-10, -1.78853897e-14, 246 1.65388869e+04, 4.77944503] 247 transport: 248 model: gas 249 geometry: linear 250 diameter: 3.8 251 well-depth: 144.0 252 note: L11/89 253- name: CH4 254 composition: {C: 1, H: 4} 255 thermo: 256 model: NASA7 257 temperature-ranges: [200.0, 1000.0, 6000.0] 258 data: 259 - [5.14987613, -0.0136709788, 4.91800599e-05, -4.84743026e-08, 1.66693956e-11, 260 -1.02466476e+04, -4.64130376] 261 - [1.63552643, 0.0100842795, -3.36916254e-06, 5.34958667e-10, -3.15518833e-14, 262 -1.00056455e+04, 9.99313326] 263 transport: 264 model: gas 265 geometry: nonlinear 266 diameter: 3.746 267 well-depth: 141.4 268 polarizability: 2.6 269 rotational-relaxation: 13.0 270 note: L 8/88 271- name: CO 272 composition: {C: 1, O: 1} 273 thermo: 274 model: NASA7 275 temperature-ranges: [200.0, 1000.0, 6000.0] 276 data: 277 - [3.57953347, -6.1035368e-04, 1.01681433e-06, 9.07005884e-10, -9.04424499e-13, 278 -1.4344086e+04, 3.50840928] 279 - [3.04848583, 1.35172818e-03, -4.85794075e-07, 7.88536486e-11, -4.69807489e-15, 280 -1.42661171e+04, 6.0170979] 281 transport: 282 model: gas 283 geometry: linear 284 diameter: 3.65 285 well-depth: 98.1 286 polarizability: 1.95 287 rotational-relaxation: 1.8 288 note: TPIS79 289- name: CO2 290 composition: {C: 1, O: 2} 291 thermo: 292 model: NASA7 293 temperature-ranges: [200.0, 1000.0, 6000.0] 294 data: 295 - [2.35677352, 8.98459677e-03, -7.12356269e-06, 2.45919022e-09, -1.43699548e-13, 296 -4.83719697e+04, 9.90105222] 297 - [4.63659493, 2.74131991e-03, -9.95828531e-07, 1.60373011e-10, -9.16103468e-15, 298 -4.90249341e+04, -1.93534855] 299 transport: 300 model: gas 301 geometry: linear 302 diameter: 3.763 303 well-depth: 244.0 304 polarizability: 2.65 305 rotational-relaxation: 2.1 306 note: L 7/88 307- name: HCO 308 composition: {H: 1, C: 1, O: 1} 309 thermo: 310 model: NASA7 311 temperature-ranges: [200.0, 1000.0, 6000.0] 312 data: 313 - [4.22118584, -3.24392532e-03, 1.37799446e-05, -1.33144093e-08, 4.33768865e-12, 314 3839.56496, 3.39437243] 315 - [3.64896209, 3.08090819e-03, -1.12429876e-06, 1.86308085e-10, -1.13951828e-14, 316 3712.09048, 5.06147406] 317 transport: 318 model: gas 319 geometry: nonlinear 320 diameter: 3.59 321 well-depth: 498.0 322 note: L12/89 323- name: CH2O 324 composition: {H: 2, C: 1, O: 1} 325 thermo: 326 model: NASA7 327 temperature-ranges: [200.0, 1000.0, 6000.0] 328 data: 329 - [4.79372315, -9.90833369e-03, 3.73220008e-05, -3.79285261e-08, 1.31772652e-11, 330 -1.43089567e+04, 0.6028129] 331 - [3.16952654, 6.19320583e-03, -2.25056377e-06, 3.6597568e-10, -2.2014947e-14, 332 -1.44784444e+04, 6.04209449] 333 transport: 334 model: gas 335 geometry: nonlinear 336 diameter: 3.59 337 well-depth: 498.0 338 rotational-relaxation: 2.0 339 note: L 8/88 340- name: CH2OH 341 composition: {C: 1, H: 3, O: 1} 342 thermo: 343 model: NASA7 344 temperature-ranges: [200.0, 1000.0, 6000.0] 345 data: 346 - [3.86388918, 5.59672304e-03, 5.93271791e-06, -1.04532012e-08, 4.36967278e-12, 347 -2505.01367, 5.47302243] 348 - [4.67625639, 6.56406014e-03, -2.26525471e-06, 3.55602481e-10, -2.0862619e-14, 349 -2892.48574, 0.487737005] 350 transport: 351 model: gas 352 geometry: nonlinear 353 diameter: 3.69 354 well-depth: 417.0 355 dipole: 1.7 356 rotational-relaxation: 2.0 357 note: GUNL93 358- name: CH3O 359 composition: {C: 1, H: 3, O: 1} 360 thermo: 361 model: NASA7 362 temperature-ranges: [200.0, 1000.0, 6000.0] 363 data: 364 - [3.26524894, 3.30300117e-03, 1.70493964e-05, -2.27104476e-08, 8.8075652e-12, 365 333.281488, 7.4256804] 366 - [4.26676538, 7.8538011e-03, -2.83739943e-06, 4.59039659e-10, -2.74426084e-14, 367 -340.073227, 0.385637447] 368 transport: 369 model: gas 370 geometry: nonlinear 371 diameter: 3.69 372 well-depth: 417.0 373 dipole: 1.7 374 rotational-relaxation: 2.0 375 note: '121686' 376- name: CH3OH 377 composition: {C: 1, H: 4, O: 1} 378 thermo: 379 model: NASA7 380 temperature-ranges: [200.0, 1000.0, 6000.0] 381 data: 382 - [5.71539582, -0.0152309129, 6.52441155e-05, -7.10806889e-08, 2.61352698e-11, 383 -2.56427656e+04, -1.50409823] 384 - [3.60134486, 0.0102430954, -3.59985517e-06, 5.72505986e-10, -3.3911764e-14, 385 -2.5997191e+04, 4.70512253] 386 transport: 387 model: gas 388 geometry: nonlinear 389 diameter: 3.626 390 well-depth: 481.8 391 rotational-relaxation: 1.0 392 note: L 8/88 393- name: C2H 394 composition: {C: 2, H: 1} 395 thermo: 396 model: NASA7 397 temperature-ranges: [200.0, 1000.0, 6000.0] 398 data: 399 - [2.88965733, 0.0134099611, -2.84769501e-05, 2.94791045e-08, -1.09331511e-11, 400 6.68393932e+04, 6.22296438] 401 - [3.36118395, 4.38989724e-03, -1.62772218e-06, 2.60556663e-10, -1.52939305e-14, 402 6.70492214e+04, 5.57127542] 403 transport: 404 model: gas 405 geometry: linear 406 diameter: 4.1 407 well-depth: 209.0 408 rotational-relaxation: 2.5 409 note: L 1/91 410- name: C2H2 411 composition: {C: 2, H: 2} 412 thermo: 413 model: NASA7 414 temperature-ranges: [200.0, 1000.0, 6000.0] 415 data: 416 - [0.808681094, 0.0233615629, -3.55171815e-05, 2.80152437e-08, -8.50072974e-12, 417 2.64289807e+04, 13.9397051] 418 - [4.65878504, 4.88396547e-03, -1.60828775e-06, 2.46974226e-10, -1.3860568e-14, 419 2.57594044e+04, -3.99834772] 420 transport: 421 model: gas 422 geometry: linear 423 diameter: 4.1 424 well-depth: 209.0 425 rotational-relaxation: 2.5 426 note: L 1/91 427- name: C2H3 428 composition: {C: 2, H: 3} 429 thermo: 430 model: NASA7 431 temperature-ranges: [200.0, 1000.0, 6000.0] 432 data: 433 - [3.21246645, 1.51479162e-03, 2.59209412e-05, -3.57657847e-08, 1.47150873e-11, 434 3.48598468e+04, 8.51054025] 435 - [4.35105055, 7.49330091e-03, -2.64314586e-06, 4.21285906e-10, -2.49896119e-14, 436 3.41546181e+04, 0.571676529] 437 transport: 438 model: gas 439 geometry: nonlinear 440 diameter: 4.1 441 well-depth: 209.0 442 rotational-relaxation: 1.0 443 note: L 2/92 444- name: C2H4 445 composition: {C: 2, H: 4} 446 thermo: 447 model: NASA7 448 temperature-ranges: [200.0, 1000.0, 6000.0] 449 data: 450 - [3.95920148, -7.57052247e-03, 5.70990292e-05, -6.91588753e-08, 2.69884373e-11, 451 5089.77593, 4.09733096] 452 - [3.99182761, 0.010483391, -3.71721385e-06, 5.94628514e-10, -3.53630526e-14, 453 4268.65819, -0.269052151] 454 transport: 455 model: gas 456 geometry: nonlinear 457 diameter: 3.971 458 well-depth: 280.8 459 rotational-relaxation: 1.5 460 note: L 1/91 461- name: C2H5 462 composition: {C: 2, H: 5} 463 thermo: 464 model: NASA7 465 temperature-ranges: [200.0, 1000.0, 6000.0] 466 data: 467 - [4.30646568, -4.18658892e-03, 4.97142807e-05, -5.99126606e-08, 2.30509004e-11, 468 1.28416265e+04, 4.70720924] 469 - [4.28800535, 0.0124337374, -4.41383829e-06, 7.06526943e-10, -4.20341856e-14, 470 1.205642e+04, 0.845299623] 471 transport: 472 model: gas 473 geometry: nonlinear 474 diameter: 4.302 475 well-depth: 252.3 476 rotational-relaxation: 1.5 477 note: L12/92 478- name: C2H6 479 composition: {C: 2, H: 6} 480 thermo: 481 model: NASA7 482 temperature-ranges: [200.0, 1000.0, 6000.0] 483 data: 484 - [4.29142492, -5.5015427e-03, 5.99438288e-05, -7.08466285e-08, 2.68685771e-11, 485 -1.15222055e+04, 2.66682316] 486 - [4.04666674, 0.0153538766, -5.47039321e-06, 8.77826228e-10, -5.23167305e-14, 487 -1.24473512e+04, -0.968683607] 488 transport: 489 model: gas 490 geometry: nonlinear 491 diameter: 4.302 492 well-depth: 252.3 493 rotational-relaxation: 1.5 494 note: L 8/88 495- name: HCCO 496 composition: {H: 1, C: 2, O: 1} 497 thermo: 498 model: NASA7 499 temperature-ranges: [300.0, 1000.0, 6000.0] 500 data: 501 - [2.2517214, 0.017655021, -2.3729101e-05, 1.7275759e-08, -5.0664811e-12, 502 2.0059449e+04, 12.490417] 503 - [5.6282058, 4.0853401e-03, -1.5934547e-06, 2.8626052e-10, -1.9407832e-14, 504 1.9327215e+04, -3.9302595] 505 transport: 506 model: gas 507 geometry: nonlinear 508 diameter: 2.5 509 well-depth: 150.0 510 rotational-relaxation: 1.0 511 note: SRIC91 512- name: CH2CO 513 composition: {C: 2, H: 2, O: 1} 514 thermo: 515 model: NASA7 516 temperature-ranges: [200.0, 1000.0, 6000.0] 517 data: 518 - [2.1358363, 0.0181188721, -1.73947474e-05, 9.34397568e-09, -2.01457615e-12, 519 -7042.91804, 12.215648] 520 - [5.75793307, 6.34911413e-03, -2.25814835e-06, 3.62026733e-10, -2.15651204e-14, 521 -7978.78384, -6.1077215] 522 transport: 523 model: gas 524 geometry: nonlinear 525 diameter: 3.97 526 well-depth: 436.0 527 rotational-relaxation: 2.0 528 note: L 5/90 529- name: HCCOH 530 composition: {C: 2, O: 1, H: 2} 531 thermo: 532 model: NASA7 533 temperature-ranges: [300.0, 1000.0, 5000.0] 534 data: 535 - [1.2423733, 0.031072201, -5.0866864e-05, 4.3137131e-08, -1.4014594e-11, 536 8031.6143, 13.874319] 537 - [5.9238291, 6.79236e-03, -2.5658564e-06, 4.4987841e-10, -2.9940101e-14, 538 7264.626, -7.6017742] 539 transport: 540 model: gas 541 geometry: nonlinear 542 diameter: 3.97 543 well-depth: 436.0 544 rotational-relaxation: 2.0 545 note: SRI91 546- name: N 547 composition: {N: 1} 548 thermo: 549 model: NASA7 550 temperature-ranges: [200.0, 1000.0, 6000.0] 551 data: 552 - [2.5, 0.0, 0.0, 0.0, 0.0, 5.6104637e+04, 4.1939087] 553 - [2.4159429, 1.7489065e-04, -1.1902369e-07, 3.0226245e-11, -2.0360982e-15, 554 5.6133773e+04, 4.6496096] 555 transport: 556 model: gas 557 geometry: atom 558 diameter: 3.298 559 well-depth: 71.4 560 note: L 6/88 561- name: NH 562 composition: {N: 1, H: 1} 563 thermo: 564 model: NASA7 565 temperature-ranges: [200.0, 1000.0, 6000.0] 566 data: 567 - [3.4929085, 3.1179198e-04, -1.4890484e-06, 2.4816442e-09, -1.0356967e-12, 568 4.1880629e+04, 1.8483278] 569 - [2.7836928, 1.329843e-03, -4.2478047e-07, 7.8348501e-11, -5.504447e-15, 570 4.2120848e+04, 5.7407799] 571 transport: 572 model: gas 573 geometry: linear 574 diameter: 2.65 575 well-depth: 80.0 576 rotational-relaxation: 4.0 577 note: And94 578- name: NH2 579 composition: {N: 1, H: 2} 580 thermo: 581 model: NASA7 582 temperature-ranges: [200.0, 1000.0, 6000.0] 583 data: 584 - [4.2040029, -2.1061385e-03, 7.1068348e-06, -5.6115197e-09, 1.6440717e-12, 585 2.188591e+04, -0.14184248] 586 - [2.8347421, 3.2073082e-03, -9.3390804e-07, 1.3702953e-10, -7.9206144e-15, 587 2.2171957e+04, 6.5204163] 588 transport: 589 model: gas 590 geometry: nonlinear 591 diameter: 2.65 592 well-depth: 80.0 593 polarizability: 2.26 594 rotational-relaxation: 4.0 595 note: And89 596- name: NH3 597 composition: {N: 1, H: 3} 598 thermo: 599 model: NASA7 600 temperature-ranges: [200.0, 1000.0, 6000.0] 601 data: 602 - [4.2860274, -4.660523e-03, 2.1718513e-05, -2.2808887e-08, 8.2638046e-12, 603 -6741.7285, -0.62537277] 604 - [2.6344521, 5.666256e-03, -1.7278676e-06, 2.3867161e-10, -1.2578786e-14, 605 -6544.6958, 6.5662928] 606 transport: 607 model: gas 608 geometry: nonlinear 609 diameter: 2.92 610 well-depth: 481.0 611 dipole: 1.47 612 rotational-relaxation: 10.0 613 note: J 6/77 614- name: NNH 615 composition: {N: 2, H: 1} 616 thermo: 617 model: NASA7 618 temperature-ranges: [200.0, 1000.0, 6000.0] 619 data: 620 - [4.3446927, -4.8497072e-03, 2.0059459e-05, -2.1726464e-08, 7.9469539e-12, 621 2.8791973e+04, 2.977941] 622 - [3.7667544, 2.8915082e-03, -1.041662e-06, 1.6842594e-10, -1.0091896e-14, 623 2.8650697e+04, 4.4705067] 624 transport: 625 model: gas 626 geometry: nonlinear 627 diameter: 3.798 628 well-depth: 71.4 629 rotational-relaxation: 1.0 630 note: T07/93 631- name: NO 632 composition: {N: 1, O: 1} 633 thermo: 634 model: NASA7 635 temperature-ranges: [200.0, 1000.0, 6000.0] 636 data: 637 - [4.2184763, -4.638976e-03, 1.1041022e-05, -9.3361354e-09, 2.803577e-12, 638 9844.623, 2.2808464] 639 - [3.2606056, 1.1911043e-03, -4.2917048e-07, 6.9457669e-11, -4.0336099e-15, 640 9920.9746, 6.3693027] 641 transport: 642 model: gas 643 geometry: linear 644 diameter: 3.621 645 well-depth: 97.53 646 polarizability: 1.76 647 rotational-relaxation: 4.0 648 note: RUS 78 649- name: NO2 650 composition: {N: 1, O: 2} 651 thermo: 652 model: NASA7 653 temperature-ranges: [200.0, 1000.0, 6000.0] 654 data: 655 - [3.9440312, -1.585429e-03, 1.6657812e-05, -2.0475426e-08, 7.8350564e-12, 656 2896.6179, 6.3119917] 657 - [4.8847542, 2.1723956e-03, -8.2806906e-07, 1.574751e-10, -1.0510895e-14, 658 2316.4983, -0.11741695] 659 transport: 660 model: gas 661 geometry: nonlinear 662 diameter: 3.5 663 well-depth: 200.0 664 rotational-relaxation: 1.0 665 note: L 7/88 666- name: N2O 667 composition: {N: 2, O: 1} 668 thermo: 669 model: NASA7 670 temperature-ranges: [200.0, 1000.0, 6000.0] 671 data: 672 - [2.2571502, 0.011304728, -1.3671319e-05, 9.6819806e-09, -2.9307182e-12, 673 8741.7744, 10.757992] 674 - [4.8230729, 2.6270251e-03, -9.5850874e-07, 1.6000712e-10, -9.7752303e-15, 675 8073.4048, -2.2017207] 676 transport: 677 model: gas 678 geometry: linear 679 diameter: 3.828 680 well-depth: 232.4 681 rotational-relaxation: 1.0 682 note: L 7/88 683- name: HNO 684 composition: {H: 1, N: 1, O: 1} 685 thermo: 686 model: NASA7 687 temperature-ranges: [200.0, 1000.0, 6000.0] 688 data: 689 - [4.5334916, -5.6696171e-03, 1.8473207e-05, -1.7137094e-08, 5.5454573e-12, 690 1.1548297e+04, 1.7498417] 691 - [2.9792509, 3.4944059e-03, -7.8549778e-07, 5.7479594e-11, -1.9335916e-16, 692 1.1750582e+04, 8.6063728] 693 transport: 694 model: gas 695 geometry: nonlinear 696 diameter: 3.492 697 well-depth: 116.7 698 rotational-relaxation: 1.0 699 note: And93 700- name: CN 701 composition: {C: 1, N: 1} 702 thermo: 703 model: NASA7 704 temperature-ranges: [200.0, 1000.0, 6000.0] 705 data: 706 - [3.6129351, -9.5551327e-04, 2.1442977e-06, -3.1516323e-10, -4.6430356e-13, 707 5.170834e+04, 3.9804995] 708 - [3.7459805, 4.3450775e-05, 2.9705984e-07, -6.8651806e-11, 4.4134173e-15, 709 5.1536188e+04, 2.7867601] 710 transport: 711 model: gas 712 geometry: linear 713 diameter: 3.856 714 well-depth: 75.0 715 rotational-relaxation: 1.0 716 note: HBH92 717- name: HCN 718 composition: {H: 1, C: 1, N: 1} 719 thermo: 720 model: NASA7 721 temperature-ranges: [200.0, 1000.0, 6000.0] 722 data: 723 - [2.2589886, 0.01005117, -1.3351763e-05, 1.0092349e-08, -3.0089028e-12, 724 1.4712633e+04, 8.9164419] 725 - [3.8022392, 3.1464228e-03, -1.0632185e-06, 1.6619757e-10, -9.799757e-15, 726 1.4407292e+04, 1.5754601] 727 transport: 728 model: gas 729 geometry: linear 730 diameter: 3.63 731 well-depth: 569.0 732 rotational-relaxation: 1.0 733 note: GRI/98 734- name: H2CN 735 composition: {H: 2, C: 1, N: 1} 736 thermo: 737 model: NASA7 738 temperature-ranges: [300.0, 1000.0, 6000.0] 739 data: 740 - [2.851661, 5.6952331e-03, 1.07114e-06, -1.622612e-09, -2.3511081e-13, 741 2.863782e+04, 8.9927511] 742 - [5.209703, 2.9692911e-03, -2.8555891e-07, -1.63555e-10, 3.0432589e-14, 743 2.7677109e+04, -4.444478] 744 transport: 745 model: gas 746 geometry: linear 747 diameter: 3.63 748 well-depth: 569.0 749 rotational-relaxation: 1.0 750 note: '41687' 751- name: HCNN 752 composition: {C: 1, N: 2, H: 1} 753 thermo: 754 model: NASA7 755 temperature-ranges: [300.0, 1000.0, 5000.0] 756 data: 757 - [2.5243194, 0.015960619, -1.8816354e-05, 1.212554e-08, -3.2357378e-12, 758 5.4261984e+04, 11.67587] 759 - [5.8946362, 3.9895959e-03, -1.598238e-06, 2.9249395e-10, -2.0094686e-14, 760 5.3452941e+04, -5.1030502] 761 transport: 762 model: gas 763 geometry: nonlinear 764 diameter: 2.5 765 well-depth: 150.0 766 rotational-relaxation: 1.0 767 note: SRI/94 768- name: HCNO 769 composition: {H: 1, N: 1, C: 1, O: 1} 770 thermo: 771 model: NASA7 772 temperature-ranges: [300.0, 1382.0, 5000.0] 773 data: 774 - [2.64727989, 0.0127505342, -1.04794236e-05, 4.41432836e-09, -7.57521466e-13, 775 1.92990252e+04, 10.7332972] 776 - [6.59860456, 3.02778626e-03, -1.07704346e-06, 1.71666528e-10, -1.01439391e-14, 777 1.79661339e+04, -10.3306599] 778 transport: 779 model: gas 780 geometry: nonlinear 781 diameter: 3.828 782 well-depth: 232.4 783 rotational-relaxation: 1.0 784 note: BDEA94 785- name: HOCN 786 composition: {H: 1, N: 1, C: 1, O: 1} 787 thermo: 788 model: NASA7 789 temperature-ranges: [300.0, 1368.0, 5000.0] 790 data: 791 - [3.78604952, 6.88667922e-03, -3.21487864e-06, 5.17195767e-10, 1.19360788e-14, 792 -2826.984, 5.63292162] 793 - [5.89784885, 3.16789393e-03, -1.11801064e-06, 1.77243144e-10, -1.04339177e-14, 794 -3706.53331, -6.18167825] 795 transport: 796 model: gas 797 geometry: nonlinear 798 diameter: 3.828 799 well-depth: 232.4 800 rotational-relaxation: 1.0 801 note: BDEA94 802- name: HNCO 803 composition: {H: 1, N: 1, C: 1, O: 1} 804 thermo: 805 model: NASA7 806 temperature-ranges: [300.0, 1478.0, 5000.0] 807 data: 808 - [3.63096317, 7.30282357e-03, -2.28050003e-06, -6.61271298e-10, 3.62235752e-13, 809 -1.55873636e+04, 6.19457727] 810 - [6.22395134, 3.17864004e-03, -1.09378755e-06, 1.70735163e-10, -9.95021955e-15, 811 -1.66599344e+04, -8.38224741] 812 transport: 813 model: gas 814 geometry: nonlinear 815 diameter: 3.828 816 well-depth: 232.4 817 rotational-relaxation: 1.0 818 note: BDEA94 819- name: NCO 820 composition: {N: 1, C: 1, O: 1} 821 thermo: 822 model: NASA7 823 temperature-ranges: [200.0, 1000.0, 6000.0] 824 data: 825 - [2.8269308, 8.8051688e-03, -8.3866134e-06, 4.8016964e-09, -1.3313595e-12, 826 1.4682477e+04, 9.5504646] 827 - [5.1521845, 2.3051761e-03, -8.8033153e-07, 1.4789098e-10, -9.0977996e-15, 828 1.4004123e+04, -2.544266] 829 transport: 830 model: gas 831 geometry: linear 832 diameter: 3.828 833 well-depth: 232.4 834 rotational-relaxation: 1.0 835 note: EA 93 836- name: N2 837 composition: {N: 2} 838 thermo: 839 model: NASA7 840 temperature-ranges: [300.0, 1000.0, 5000.0] 841 data: 842 - [3.298677, 1.4082404e-03, -3.963222e-06, 5.641515e-09, -2.444854e-12, 843 -1020.8999, 3.950372] 844 - [2.92664, 1.4879768e-03, -5.68476e-07, 1.0097038e-10, -6.753351e-15, 845 -922.7977, 5.980528] 846 transport: 847 model: gas 848 geometry: linear 849 diameter: 3.621 850 well-depth: 97.53 851 polarizability: 1.76 852 rotational-relaxation: 4.0 853 note: '121286' 854- name: AR 855 composition: {Ar: 1} 856 thermo: 857 model: NASA7 858 temperature-ranges: [300.0, 1000.0, 5000.0] 859 data: 860 - [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 4.366] 861 - [2.5, 0.0, 0.0, 0.0, 0.0, -745.375, 4.366] 862 transport: 863 model: gas 864 geometry: atom 865 diameter: 3.33 866 well-depth: 136.5 867 note: '120186' 868- name: C3H7 869 composition: {C: 3, H: 7} 870 thermo: 871 model: NASA7 872 temperature-ranges: [300.0, 1000.0, 5000.0] 873 data: 874 - [1.0515518, 0.02599198, 2.380054e-06, -1.9609569e-08, 9.373247e-12, 875 1.0631863e+04, 21.122559] 876 - [7.7026987, 0.016044203, -5.283322e-06, 7.629859e-10, -3.9392284e-14, 877 8298.4336, -15.48018] 878 transport: 879 model: gas 880 geometry: nonlinear 881 diameter: 4.982 882 well-depth: 266.8 883 rotational-relaxation: 1.0 884 note: L 9/84 885- name: C3H8 886 composition: {C: 3, H: 8} 887 thermo: 888 model: NASA7 889 temperature-ranges: [300.0, 1000.0, 5000.0] 890 data: 891 - [0.93355381, 0.026424579, 6.1059727e-06, -2.1977499e-08, 9.5149253e-12, 892 -1.395852e+04, 19.201691] 893 - [7.5341368, 0.018872239, -6.2718491e-06, 9.1475649e-10, -4.7838069e-14, 894 -1.6467516e+04, -17.892349] 895 transport: 896 model: gas 897 geometry: nonlinear 898 diameter: 4.982 899 well-depth: 266.8 900 rotational-relaxation: 1.0 901 note: L 4/85 902- name: CH2CHO 903 composition: {O: 1, H: 3, C: 2} 904 thermo: 905 model: NASA7 906 temperature-ranges: [300.0, 1000.0, 5000.0] 907 data: 908 - [3.409062, 0.010738574, 1.891492e-06, -7.158583e-09, 2.867385e-12, 909 1521.4766, 9.55829] 910 - [5.97567, 8.130591e-03, -2.743624e-06, 4.070304e-10, -2.176017e-14, 911 490.3218, -5.045251] 912 transport: 913 model: gas 914 geometry: nonlinear 915 diameter: 3.97 916 well-depth: 436.0 917 rotational-relaxation: 2.0 918 note: SAND86 919- name: CH3CHO 920 composition: {C: 2, H: 4, O: 1} 921 thermo: 922 model: NASA7 923 temperature-ranges: [200.0, 1000.0, 6000.0] 924 data: 925 - [4.7294595, -3.1932858e-03, 4.7534921e-05, -5.7458611e-08, 2.1931112e-11, 926 -2.1572878e+04, 4.1030159] 927 - [5.4041108, 0.011723059, -4.2263137e-06, 6.8372451e-10, -4.0984863e-14, 928 -2.2593122e+04, -3.4807917] 929 transport: 930 model: gas 931 geometry: nonlinear 932 diameter: 3.97 933 well-depth: 436.0 934 rotational-relaxation: 2.0 935 note: L 8/88 936 937reactions: 938- equation: 2 O + M <=> O2 + M # Reaction 1 939 type: three-body 940 rate-constant: {A: 1.2e+17, b: -1, Ea: 0} 941 efficiencies: {AR: 0.83, C2H6: 3, CH4: 2, CO: 1.75, CO2: 3.6, H2: 2.4, 942 H2O: 15.4} 943- equation: O + H + M <=> OH + M # Reaction 2 944 type: three-body 945 rate-constant: {A: 5.0e+17, b: -1, Ea: 0} 946 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 947- equation: O + H2 <=> H + OH # Reaction 3 948 rate-constant: {A: 3.87e+04, b: 2.7, Ea: 6260} 949- equation: O + HO2 <=> OH + O2 # Reaction 4 950 rate-constant: {A: 2.0e+13, b: 0, Ea: 0} 951- equation: O + H2O2 <=> OH + HO2 # Reaction 5 952 rate-constant: {A: 9.63e+06, b: 2, Ea: 4000} 953- equation: O + CH <=> H + CO # Reaction 6 954 rate-constant: {A: 5.7e+13, b: 0, Ea: 0} 955- equation: O + CH2 <=> H + HCO # Reaction 7 956 rate-constant: {A: 8.0e+13, b: 0, Ea: 0} 957- equation: O + CH2(S) <=> H2 + CO # Reaction 8 958 rate-constant: {A: 1.5e+13, b: 0, Ea: 0} 959- equation: O + CH2(S) <=> H + HCO # Reaction 9 960 rate-constant: {A: 1.5e+13, b: 0, Ea: 0} 961- equation: O + CH3 <=> H + CH2O # Reaction 10 962 rate-constant: {A: 5.06e+13, b: 0, Ea: 0} 963- equation: O + CH4 <=> OH + CH3 # Reaction 11 964 rate-constant: {A: 1.02e+09, b: 1.5, Ea: 8600} 965- equation: O + CO (+ M) <=> CO2 (+ M) # Reaction 12 966 type: falloff 967 low-P-rate-constant: {A: 6.02e+14, b: 0, Ea: 3000} 968 high-P-rate-constant: {A: 1.8e+10, b: 0, Ea: 2385} 969 efficiencies: {AR: 0.5, C2H6: 3, CH4: 2, CO: 1.5, CO2: 3.5, H2: 2, H2O: 6, 970 O2: 6} 971- equation: O + HCO <=> OH + CO # Reaction 13 972 rate-constant: {A: 3.0e+13, b: 0, Ea: 0} 973- equation: O + HCO <=> H + CO2 # Reaction 14 974 rate-constant: {A: 3.0e+13, b: 0, Ea: 0} 975- equation: O + CH2O <=> OH + HCO # Reaction 15 976 rate-constant: {A: 3.9e+13, b: 0, Ea: 3540} 977- equation: O + CH2OH <=> OH + CH2O # Reaction 16 978 rate-constant: {A: 1.0e+13, b: 0, Ea: 0} 979- equation: O + CH3O <=> OH + CH2O # Reaction 17 980 rate-constant: {A: 1.0e+13, b: 0, Ea: 0} 981- equation: O + CH3OH <=> OH + CH2OH # Reaction 18 982 rate-constant: {A: 3.88e+05, b: 2.5, Ea: 3100} 983- equation: O + CH3OH <=> OH + CH3O # Reaction 19 984 rate-constant: {A: 1.3e+05, b: 2.5, Ea: 5000} 985- equation: O + C2H <=> CH + CO # Reaction 20 986 rate-constant: {A: 5.0e+13, b: 0, Ea: 0} 987- equation: O + C2H2 <=> H + HCCO # Reaction 21 988 rate-constant: {A: 1.35e+07, b: 2, Ea: 1900} 989- equation: O + C2H2 <=> OH + C2H # Reaction 22 990 rate-constant: {A: 4.6e+19, b: -1.41, Ea: 28950} 991- equation: O + C2H2 <=> CO + CH2 # Reaction 23 992 rate-constant: {A: 6.94e+06, b: 2, Ea: 1900} 993- equation: O + C2H3 <=> H + CH2CO # Reaction 24 994 rate-constant: {A: 3.0e+13, b: 0, Ea: 0} 995- equation: O + C2H4 <=> CH3 + HCO # Reaction 25 996 rate-constant: {A: 1.25e+07, b: 1.83, Ea: 220} 997- equation: O + C2H5 <=> CH3 + CH2O # Reaction 26 998 rate-constant: {A: 2.24e+13, b: 0, Ea: 0} 999- equation: O + C2H6 <=> OH + C2H5 # Reaction 27 1000 rate-constant: {A: 8.98e+07, b: 1.92, Ea: 5690} 1001- equation: O + HCCO <=> H + 2 CO # Reaction 28 1002 rate-constant: {A: 1.0e+14, b: 0, Ea: 0} 1003- equation: O + CH2CO <=> OH + HCCO # Reaction 29 1004 rate-constant: {A: 1.0e+13, b: 0, Ea: 8000} 1005- equation: O + CH2CO <=> CH2 + CO2 # Reaction 30 1006 rate-constant: {A: 1.75e+12, b: 0, Ea: 1350} 1007- equation: O2 + CO <=> O + CO2 # Reaction 31 1008 rate-constant: {A: 2.5e+12, b: 0, Ea: 47800} 1009- equation: O2 + CH2O <=> HO2 + HCO # Reaction 32 1010 rate-constant: {A: 1.0e+14, b: 0, Ea: 40000} 1011- equation: H + O2 + M <=> HO2 + M # Reaction 33 1012 type: three-body 1013 rate-constant: {A: 2.8e+18, b: -0.86, Ea: 0} 1014 efficiencies: {AR: 0, C2H6: 1.5, CO: 0.75, CO2: 1.5, H2O: 0, N2: 0, O2: 0} 1015- equation: H + 2 O2 <=> HO2 + O2 # Reaction 34 1016 rate-constant: {A: 2.08e+19, b: -1.24, Ea: 0} 1017- equation: H + O2 + H2O <=> HO2 + H2O # Reaction 35 1018 rate-constant: {A: 1.126e+19, b: -0.76, Ea: 0} 1019- equation: H + O2 + N2 <=> HO2 + N2 # Reaction 36 1020 rate-constant: {A: 2.6e+19, b: -1.24, Ea: 0} 1021- equation: H + O2 + AR <=> HO2 + AR # Reaction 37 1022 rate-constant: {A: 7.0e+17, b: -0.8, Ea: 0} 1023- equation: H + O2 <=> O + OH # Reaction 38 1024 rate-constant: {A: 2.65e+16, b: -0.6707, Ea: 17041} 1025- equation: 2 H + M <=> H2 + M # Reaction 39 1026 type: three-body 1027 rate-constant: {A: 1.0e+18, b: -1, Ea: 0} 1028 efficiencies: {AR: 0.63, C2H6: 3, CH4: 2, CO2: 0, H2: 0, H2O: 0} 1029- equation: 2 H + H2 <=> 2 H2 # Reaction 40 1030 rate-constant: {A: 9.0e+16, b: -0.6, Ea: 0} 1031- equation: 2 H + H2O <=> H2 + H2O # Reaction 41 1032 rate-constant: {A: 6.0e+19, b: -1.25, Ea: 0} 1033- equation: 2 H + CO2 <=> H2 + CO2 # Reaction 42 1034 rate-constant: {A: 5.5e+20, b: -2, Ea: 0} 1035- equation: H + OH + M <=> H2O + M # Reaction 43 1036 type: three-body 1037 rate-constant: {A: 2.2e+22, b: -2, Ea: 0} 1038 efficiencies: {AR: 0.38, C2H6: 3, CH4: 2, H2: 0.73, H2O: 3.65} 1039- equation: H + HO2 <=> O + H2O # Reaction 44 1040 rate-constant: {A: 3.97e+12, b: 0, Ea: 671} 1041- equation: H + HO2 <=> O2 + H2 # Reaction 45 1042 rate-constant: {A: 4.48e+13, b: 0, Ea: 1068} 1043- equation: H + HO2 <=> 2 OH # Reaction 46 1044 rate-constant: {A: 8.4e+13, b: 0, Ea: 635} 1045- equation: H + H2O2 <=> HO2 + H2 # Reaction 47 1046 rate-constant: {A: 1.21e+07, b: 2, Ea: 5200} 1047- equation: H + H2O2 <=> OH + H2O # Reaction 48 1048 rate-constant: {A: 1.0e+13, b: 0, Ea: 3600} 1049- equation: H + CH <=> C + H2 # Reaction 49 1050 rate-constant: {A: 1.65e+14, b: 0, Ea: 0} 1051- equation: H + CH2 (+ M) <=> CH3 (+ M) # Reaction 50 1052 type: falloff 1053 low-P-rate-constant: {A: 1.04e+26, b: -2.76, Ea: 1600} 1054 high-P-rate-constant: {A: 6.0e+14, b: 0, Ea: 0} 1055 Troe: {A: 0.562, T3: 91, T1: 5836, T2: 8552} 1056 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1057- equation: H + CH2(S) <=> CH + H2 # Reaction 51 1058 rate-constant: {A: 3.0e+13, b: 0, Ea: 0} 1059- equation: H + CH3 (+ M) <=> CH4 (+ M) # Reaction 52 1060 type: falloff 1061 low-P-rate-constant: {A: 2.62e+33, b: -4.76, Ea: 2440} 1062 high-P-rate-constant: {A: 1.39e+16, b: -0.534, Ea: 536} 1063 Troe: {A: 0.783, T3: 74, T1: 2941, T2: 6964} 1064 efficiencies: {AR: 0.7, C2H6: 3, CH4: 3, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1065- equation: H + CH4 <=> CH3 + H2 # Reaction 53 1066 rate-constant: {A: 6.6e+08, b: 1.62, Ea: 10840} 1067- equation: H + HCO (+ M) <=> CH2O (+ M) # Reaction 54 1068 type: falloff 1069 low-P-rate-constant: {A: 2.47e+24, b: -2.57, Ea: 425} 1070 high-P-rate-constant: {A: 1.09e+12, b: 0.48, Ea: -260} 1071 Troe: {A: 0.7824, T3: 271, T1: 2755, T2: 6570} 1072 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1073- equation: H + HCO <=> H2 + CO # Reaction 55 1074 rate-constant: {A: 7.34e+13, b: 0, Ea: 0} 1075- equation: H + CH2O (+ M) <=> CH2OH (+ M) # Reaction 56 1076 type: falloff 1077 low-P-rate-constant: {A: 1.27e+32, b: -4.82, Ea: 6530} 1078 high-P-rate-constant: {A: 5.4e+11, b: 0.454, Ea: 3600} 1079 Troe: {A: 0.7187, T3: 103, T1: 1291, T2: 4160} 1080 efficiencies: {C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1081- equation: H + CH2O (+ M) <=> CH3O (+ M) # Reaction 57 1082 type: falloff 1083 low-P-rate-constant: {A: 2.2e+30, b: -4.8, Ea: 5560} 1084 high-P-rate-constant: {A: 5.4e+11, b: 0.454, Ea: 2600} 1085 Troe: {A: 0.758, T3: 94, T1: 1555, T2: 4200} 1086 efficiencies: {C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1087- equation: H + CH2O <=> HCO + H2 # Reaction 58 1088 rate-constant: {A: 5.74e+07, b: 1.9, Ea: 2742} 1089- equation: H + CH2OH (+ M) <=> CH3OH (+ M) # Reaction 59 1090 type: falloff 1091 low-P-rate-constant: {A: 4.36e+31, b: -4.65, Ea: 5080} 1092 high-P-rate-constant: {A: 1.055e+12, b: 0.5, Ea: 86} 1093 Troe: {A: 0.6, T3: 100, T1: 90000, T2: 10000} 1094 efficiencies: {C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1095- equation: H + CH2OH <=> H2 + CH2O # Reaction 60 1096 rate-constant: {A: 2.0e+13, b: 0, Ea: 0} 1097- equation: H + CH2OH <=> OH + CH3 # Reaction 61 1098 rate-constant: {A: 1.65e+11, b: 0.65, Ea: -284} 1099- equation: H + CH2OH <=> CH2(S) + H2O # Reaction 62 1100 rate-constant: {A: 3.28e+13, b: -0.09, Ea: 610} 1101- equation: H + CH3O (+ M) <=> CH3OH (+ M) # Reaction 63 1102 type: falloff 1103 low-P-rate-constant: {A: 4.66e+41, b: -7.44, Ea: 14080} 1104 high-P-rate-constant: {A: 2.43e+12, b: 0.515, Ea: 50} 1105 Troe: {A: 0.7, T3: 100, T1: 90000, T2: 10000} 1106 efficiencies: {C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1107- equation: H + CH3O <=> H + CH2OH # Reaction 64 1108 rate-constant: {A: 4.15e+07, b: 1.63, Ea: 1924} 1109- equation: H + CH3O <=> H2 + CH2O # Reaction 65 1110 rate-constant: {A: 2.0e+13, b: 0, Ea: 0} 1111- equation: H + CH3O <=> OH + CH3 # Reaction 66 1112 rate-constant: {A: 1.5e+12, b: 0.5, Ea: -110} 1113- equation: H + CH3O <=> CH2(S) + H2O # Reaction 67 1114 rate-constant: {A: 2.62e+14, b: -0.23, Ea: 1070} 1115- equation: H + CH3OH <=> CH2OH + H2 # Reaction 68 1116 rate-constant: {A: 1.7e+07, b: 2.1, Ea: 4870} 1117- equation: H + CH3OH <=> CH3O + H2 # Reaction 69 1118 rate-constant: {A: 4.2e+06, b: 2.1, Ea: 4870} 1119- equation: H + C2H (+ M) <=> C2H2 (+ M) # Reaction 70 1120 type: falloff 1121 low-P-rate-constant: {A: 3.75e+33, b: -4.8, Ea: 1900} 1122 high-P-rate-constant: {A: 1.0e+17, b: -1, Ea: 0} 1123 Troe: {A: 0.6464, T3: 132, T1: 1315, T2: 5566} 1124 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1125- equation: H + C2H2 (+ M) <=> C2H3 (+ M) # Reaction 71 1126 type: falloff 1127 low-P-rate-constant: {A: 3.8e+40, b: -7.27, Ea: 7220} 1128 high-P-rate-constant: {A: 5.6e+12, b: 0, Ea: 2400} 1129 Troe: {A: 0.7507, T3: 98.5, T1: 1302, T2: 4167} 1130 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1131- equation: H + C2H3 (+ M) <=> C2H4 (+ M) # Reaction 72 1132 type: falloff 1133 low-P-rate-constant: {A: 1.4e+30, b: -3.86, Ea: 3320} 1134 high-P-rate-constant: {A: 6.08e+12, b: 0.27, Ea: 280} 1135 Troe: {A: 0.782, T3: 207.5, T1: 2663, T2: 6095} 1136 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1137- equation: H + C2H3 <=> H2 + C2H2 # Reaction 73 1138 rate-constant: {A: 3.0e+13, b: 0, Ea: 0} 1139- equation: H + C2H4 (+ M) <=> C2H5 (+ M) # Reaction 74 1140 type: falloff 1141 low-P-rate-constant: {A: 6.0e+41, b: -7.62, Ea: 6970} 1142 high-P-rate-constant: {A: 5.4e+11, b: 0.454, Ea: 1820} 1143 Troe: {A: 0.9753, T3: 210, T1: 984, T2: 4374} 1144 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1145- equation: H + C2H4 <=> C2H3 + H2 # Reaction 75 1146 rate-constant: {A: 1.325e+06, b: 2.53, Ea: 12240} 1147- equation: H + C2H5 (+ M) <=> C2H6 (+ M) # Reaction 76 1148 type: falloff 1149 low-P-rate-constant: {A: 1.99e+41, b: -7.08, Ea: 6685} 1150 high-P-rate-constant: {A: 5.21e+17, b: -0.99, Ea: 1580} 1151 Troe: {A: 0.8422, T3: 125, T1: 2219, T2: 6882} 1152 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1153- equation: H + C2H5 <=> H2 + C2H4 # Reaction 77 1154 rate-constant: {A: 2.0e+12, b: 0, Ea: 0} 1155- equation: H + C2H6 <=> C2H5 + H2 # Reaction 78 1156 rate-constant: {A: 1.15e+08, b: 1.9, Ea: 7530} 1157- equation: H + HCCO <=> CH2(S) + CO # Reaction 79 1158 rate-constant: {A: 1.0e+14, b: 0, Ea: 0} 1159- equation: H + CH2CO <=> HCCO + H2 # Reaction 80 1160 rate-constant: {A: 5.0e+13, b: 0, Ea: 8000} 1161- equation: H + CH2CO <=> CH3 + CO # Reaction 81 1162 rate-constant: {A: 1.13e+13, b: 0, Ea: 3428} 1163- equation: H + HCCOH <=> H + CH2CO # Reaction 82 1164 rate-constant: {A: 1.0e+13, b: 0, Ea: 0} 1165- equation: H2 + CO (+ M) <=> CH2O (+ M) # Reaction 83 1166 type: falloff 1167 low-P-rate-constant: {A: 5.07e+27, b: -3.42, Ea: 84350} 1168 high-P-rate-constant: {A: 4.3e+07, b: 1.5, Ea: 79600} 1169 Troe: {A: 0.932, T3: 197, T1: 1540, T2: 10300} 1170 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1171- equation: OH + H2 <=> H + H2O # Reaction 84 1172 rate-constant: {A: 2.16e+08, b: 1.51, Ea: 3430} 1173- equation: 2 OH (+ M) <=> H2O2 (+ M) # Reaction 85 1174 type: falloff 1175 low-P-rate-constant: {A: 2.3e+18, b: -0.9, Ea: -1700} 1176 high-P-rate-constant: {A: 7.4e+13, b: -0.37, Ea: 0} 1177 Troe: {A: 0.7346, T3: 94, T1: 1756, T2: 5182} 1178 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1179- equation: 2 OH <=> O + H2O # Reaction 86 1180 rate-constant: {A: 3.57e+04, b: 2.4, Ea: -2110} 1181- equation: OH + HO2 <=> O2 + H2O # Reaction 87 1182 rate-constant: {A: 1.45e+13, b: 0, Ea: -500} 1183 duplicate: true 1184- equation: OH + H2O2 <=> HO2 + H2O # Reaction 88 1185 rate-constant: {A: 2.0e+12, b: 0, Ea: 427} 1186 duplicate: true 1187- equation: OH + H2O2 <=> HO2 + H2O # Reaction 89 1188 rate-constant: {A: 1.7e+18, b: 0, Ea: 29410} 1189 duplicate: true 1190- equation: OH + C <=> H + CO # Reaction 90 1191 rate-constant: {A: 5.0e+13, b: 0, Ea: 0} 1192- equation: OH + CH <=> H + HCO # Reaction 91 1193 rate-constant: {A: 3.0e+13, b: 0, Ea: 0} 1194- equation: OH + CH2 <=> H + CH2O # Reaction 92 1195 rate-constant: {A: 2.0e+13, b: 0, Ea: 0} 1196- equation: OH + CH2 <=> CH + H2O # Reaction 93 1197 rate-constant: {A: 1.13e+07, b: 2, Ea: 3000} 1198- equation: OH + CH2(S) <=> H + CH2O # Reaction 94 1199 rate-constant: {A: 3.0e+13, b: 0, Ea: 0} 1200- equation: OH + CH3 (+ M) <=> CH3OH (+ M) # Reaction 95 1201 type: falloff 1202 low-P-rate-constant: {A: 4.0e+36, b: -5.92, Ea: 3140} 1203 high-P-rate-constant: {A: 2.79e+18, b: -1.43, Ea: 1330} 1204 Troe: {A: 0.412, T3: 195, T1: 5900, T2: 6394} 1205 efficiencies: {C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1206- equation: OH + CH3 <=> CH2 + H2O # Reaction 96 1207 rate-constant: {A: 5.6e+07, b: 1.6, Ea: 5420} 1208- equation: OH + CH3 <=> CH2(S) + H2O # Reaction 97 1209 rate-constant: {A: 6.44e+17, b: -1.34, Ea: 1417} 1210- equation: OH + CH4 <=> CH3 + H2O # Reaction 98 1211 rate-constant: {A: 1.0e+08, b: 1.6, Ea: 3120} 1212- equation: OH + CO <=> H + CO2 # Reaction 99 1213 rate-constant: {A: 4.76e+07, b: 1.228, Ea: 70} 1214- equation: OH + HCO <=> H2O + CO # Reaction 100 1215 rate-constant: {A: 5.0e+13, b: 0, Ea: 0} 1216- equation: OH + CH2O <=> HCO + H2O # Reaction 101 1217 rate-constant: {A: 3.43e+09, b: 1.18, Ea: -447} 1218- equation: OH + CH2OH <=> H2O + CH2O # Reaction 102 1219 rate-constant: {A: 5.0e+12, b: 0, Ea: 0} 1220- equation: OH + CH3O <=> H2O + CH2O # Reaction 103 1221 rate-constant: {A: 5.0e+12, b: 0, Ea: 0} 1222- equation: OH + CH3OH <=> CH2OH + H2O # Reaction 104 1223 rate-constant: {A: 1.44e+06, b: 2, Ea: -840} 1224- equation: OH + CH3OH <=> CH3O + H2O # Reaction 105 1225 rate-constant: {A: 6.3e+06, b: 2, Ea: 1500} 1226- equation: OH + C2H <=> H + HCCO # Reaction 106 1227 rate-constant: {A: 2.0e+13, b: 0, Ea: 0} 1228- equation: OH + C2H2 <=> H + CH2CO # Reaction 107 1229 rate-constant: {A: 2.18e-04, b: 4.5, Ea: -1000} 1230- equation: OH + C2H2 <=> H + HCCOH # Reaction 108 1231 rate-constant: {A: 5.04e+05, b: 2.3, Ea: 13500} 1232- equation: OH + C2H2 <=> C2H + H2O # Reaction 109 1233 rate-constant: {A: 3.37e+07, b: 2, Ea: 14000} 1234- equation: OH + C2H2 <=> CH3 + CO # Reaction 110 1235 rate-constant: {A: 4.83e-04, b: 4, Ea: -2000} 1236- equation: OH + C2H3 <=> H2O + C2H2 # Reaction 111 1237 rate-constant: {A: 5.0e+12, b: 0, Ea: 0} 1238- equation: OH + C2H4 <=> C2H3 + H2O # Reaction 112 1239 rate-constant: {A: 3.6e+06, b: 2, Ea: 2500} 1240- equation: OH + C2H6 <=> C2H5 + H2O # Reaction 113 1241 rate-constant: {A: 3.54e+06, b: 2.12, Ea: 870} 1242- equation: OH + CH2CO <=> HCCO + H2O # Reaction 114 1243 rate-constant: {A: 7.5e+12, b: 0, Ea: 2000} 1244- equation: 2 HO2 <=> O2 + H2O2 # Reaction 115 1245 rate-constant: {A: 1.3e+11, b: 0, Ea: -1630} 1246 duplicate: true 1247- equation: 2 HO2 <=> O2 + H2O2 # Reaction 116 1248 rate-constant: {A: 4.2e+14, b: 0, Ea: 12000} 1249 duplicate: true 1250- equation: HO2 + CH2 <=> OH + CH2O # Reaction 117 1251 rate-constant: {A: 2.0e+13, b: 0, Ea: 0} 1252- equation: HO2 + CH3 <=> O2 + CH4 # Reaction 118 1253 rate-constant: {A: 1.0e+12, b: 0, Ea: 0} 1254- equation: HO2 + CH3 <=> OH + CH3O # Reaction 119 1255 rate-constant: {A: 3.78e+13, b: 0, Ea: 0} 1256- equation: HO2 + CO <=> OH + CO2 # Reaction 120 1257 rate-constant: {A: 1.5e+14, b: 0, Ea: 23600} 1258- equation: HO2 + CH2O <=> HCO + H2O2 # Reaction 121 1259 rate-constant: {A: 5.6e+06, b: 2, Ea: 12000} 1260- equation: C + O2 <=> O + CO # Reaction 122 1261 rate-constant: {A: 5.8e+13, b: 0, Ea: 576} 1262- equation: C + CH2 <=> H + C2H # Reaction 123 1263 rate-constant: {A: 5.0e+13, b: 0, Ea: 0} 1264- equation: C + CH3 <=> H + C2H2 # Reaction 124 1265 rate-constant: {A: 5.0e+13, b: 0, Ea: 0} 1266- equation: CH + O2 <=> O + HCO # Reaction 125 1267 rate-constant: {A: 6.71e+13, b: 0, Ea: 0} 1268- equation: CH + H2 <=> H + CH2 # Reaction 126 1269 rate-constant: {A: 1.08e+14, b: 0, Ea: 3110} 1270- equation: CH + H2O <=> H + CH2O # Reaction 127 1271 rate-constant: {A: 5.71e+12, b: 0, Ea: -755} 1272- equation: CH + CH2 <=> H + C2H2 # Reaction 128 1273 rate-constant: {A: 4.0e+13, b: 0, Ea: 0} 1274- equation: CH + CH3 <=> H + C2H3 # Reaction 129 1275 rate-constant: {A: 3.0e+13, b: 0, Ea: 0} 1276- equation: CH + CH4 <=> H + C2H4 # Reaction 130 1277 rate-constant: {A: 6.0e+13, b: 0, Ea: 0} 1278- equation: CH + CO (+ M) <=> HCCO (+ M) # Reaction 131 1279 type: falloff 1280 low-P-rate-constant: {A: 2.69e+28, b: -3.74, Ea: 1936} 1281 high-P-rate-constant: {A: 5.0e+13, b: 0, Ea: 0} 1282 Troe: {A: 0.5757, T3: 237, T1: 1652, T2: 5069} 1283 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1284- equation: CH + CO2 <=> HCO + CO # Reaction 132 1285 rate-constant: {A: 1.9e+14, b: 0, Ea: 15792} 1286- equation: CH + CH2O <=> H + CH2CO # Reaction 133 1287 rate-constant: {A: 9.46e+13, b: 0, Ea: -515} 1288- equation: CH + HCCO <=> CO + C2H2 # Reaction 134 1289 rate-constant: {A: 5.0e+13, b: 0, Ea: 0} 1290- equation: CH2 + O2 => OH + H + CO # Reaction 135 1291 rate-constant: {A: 5.0e+12, b: 0, Ea: 1500} 1292- equation: CH2 + H2 <=> H + CH3 # Reaction 136 1293 rate-constant: {A: 5.0e+05, b: 2, Ea: 7230} 1294- equation: 2 CH2 <=> H2 + C2H2 # Reaction 137 1295 rate-constant: {A: 1.6e+15, b: 0, Ea: 11944} 1296- equation: CH2 + CH3 <=> H + C2H4 # Reaction 138 1297 rate-constant: {A: 4.0e+13, b: 0, Ea: 0} 1298- equation: CH2 + CH4 <=> 2 CH3 # Reaction 139 1299 rate-constant: {A: 2.46e+06, b: 2, Ea: 8270} 1300- equation: CH2 + CO (+ M) <=> CH2CO (+ M) # Reaction 140 1301 type: falloff 1302 low-P-rate-constant: {A: 2.69e+33, b: -5.11, Ea: 7095} 1303 high-P-rate-constant: {A: 8.1e+11, b: 0.5, Ea: 4510} 1304 Troe: {A: 0.5907, T3: 275, T1: 1226, T2: 5185} 1305 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1306- equation: CH2 + HCCO <=> C2H3 + CO # Reaction 141 1307 rate-constant: {A: 3.0e+13, b: 0, Ea: 0} 1308- equation: CH2(S) + N2 <=> CH2 + N2 # Reaction 142 1309 rate-constant: {A: 1.5e+13, b: 0, Ea: 600} 1310- equation: CH2(S) + AR <=> CH2 + AR # Reaction 143 1311 rate-constant: {A: 9.0e+12, b: 0, Ea: 600} 1312- equation: CH2(S) + O2 <=> H + OH + CO # Reaction 144 1313 rate-constant: {A: 2.8e+13, b: 0, Ea: 0} 1314- equation: CH2(S) + O2 <=> CO + H2O # Reaction 145 1315 rate-constant: {A: 1.2e+13, b: 0, Ea: 0} 1316- equation: CH2(S) + H2 <=> CH3 + H # Reaction 146 1317 rate-constant: {A: 7.0e+13, b: 0, Ea: 0} 1318- equation: CH2(S) + H2O (+ M) <=> CH3OH (+ M) # Reaction 147 1319 type: falloff 1320 low-P-rate-constant: {A: 1.88e+38, b: -6.36, Ea: 5040} 1321 high-P-rate-constant: {A: 4.82e+17, b: -1.16, Ea: 1145} 1322 Troe: {A: 0.6027, T3: 208, T1: 3922, T2: 10180} 1323 efficiencies: {C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1324- equation: CH2(S) + H2O <=> CH2 + H2O # Reaction 148 1325 rate-constant: {A: 3.0e+13, b: 0, Ea: 0} 1326- equation: CH2(S) + CH3 <=> H + C2H4 # Reaction 149 1327 rate-constant: {A: 1.2e+13, b: 0, Ea: -570} 1328- equation: CH2(S) + CH4 <=> 2 CH3 # Reaction 150 1329 rate-constant: {A: 1.6e+13, b: 0, Ea: -570} 1330- equation: CH2(S) + CO <=> CH2 + CO # Reaction 151 1331 rate-constant: {A: 9.0e+12, b: 0, Ea: 0} 1332- equation: CH2(S) + CO2 <=> CH2 + CO2 # Reaction 152 1333 rate-constant: {A: 7.0e+12, b: 0, Ea: 0} 1334- equation: CH2(S) + CO2 <=> CO + CH2O # Reaction 153 1335 rate-constant: {A: 1.4e+13, b: 0, Ea: 0} 1336- equation: CH2(S) + C2H6 <=> CH3 + C2H5 # Reaction 154 1337 rate-constant: {A: 4.0e+13, b: 0, Ea: -550} 1338- equation: CH3 + O2 <=> O + CH3O # Reaction 155 1339 rate-constant: {A: 3.56e+13, b: 0, Ea: 30480} 1340- equation: CH3 + O2 <=> OH + CH2O # Reaction 156 1341 rate-constant: {A: 2.31e+12, b: 0, Ea: 20315} 1342- equation: CH3 + H2O2 <=> HO2 + CH4 # Reaction 157 1343 rate-constant: {A: 2.45e+04, b: 2.47, Ea: 5180} 1344- equation: 2 CH3 (+ M) <=> C2H6 (+ M) # Reaction 158 1345 type: falloff 1346 low-P-rate-constant: {A: 3.4e+41, b: -7.03, Ea: 2762} 1347 high-P-rate-constant: {A: 6.77e+16, b: -1.18, Ea: 654} 1348 Troe: {A: 0.619, T3: 73.2, T1: 1180, T2: 9999} 1349 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1350- equation: 2 CH3 <=> H + C2H5 # Reaction 159 1351 rate-constant: {A: 6.84e+12, b: 0.1, Ea: 10600} 1352- equation: CH3 + HCO <=> CH4 + CO # Reaction 160 1353 rate-constant: {A: 2.648e+13, b: 0, Ea: 0} 1354- equation: CH3 + CH2O <=> HCO + CH4 # Reaction 161 1355 rate-constant: {A: 3320.0, b: 2.81, Ea: 5860} 1356- equation: CH3 + CH3OH <=> CH2OH + CH4 # Reaction 162 1357 rate-constant: {A: 3.0e+07, b: 1.5, Ea: 9940} 1358- equation: CH3 + CH3OH <=> CH3O + CH4 # Reaction 163 1359 rate-constant: {A: 1.0e+07, b: 1.5, Ea: 9940} 1360- equation: CH3 + C2H4 <=> C2H3 + CH4 # Reaction 164 1361 rate-constant: {A: 2.27e+05, b: 2, Ea: 9200} 1362- equation: CH3 + C2H6 <=> C2H5 + CH4 # Reaction 165 1363 rate-constant: {A: 6.14e+06, b: 1.74, Ea: 10450} 1364- equation: HCO + H2O <=> H + CO + H2O # Reaction 166 1365 rate-constant: {A: 1.5e+18, b: -1, Ea: 17000} 1366- equation: HCO + M <=> H + CO + M # Reaction 167 1367 type: three-body 1368 rate-constant: {A: 1.87e+17, b: -1, Ea: 17000} 1369 efficiencies: {C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 0} 1370- equation: HCO + O2 <=> HO2 + CO # Reaction 168 1371 rate-constant: {A: 1.345e+13, b: 0, Ea: 400} 1372- equation: CH2OH + O2 <=> HO2 + CH2O # Reaction 169 1373 rate-constant: {A: 1.8e+13, b: 0, Ea: 900} 1374- equation: CH3O + O2 <=> HO2 + CH2O # Reaction 170 1375 rate-constant: {A: 4.28e-13, b: 7.6, Ea: -3530} 1376- equation: C2H + O2 <=> HCO + CO # Reaction 171 1377 rate-constant: {A: 1.0e+13, b: 0, Ea: -755} 1378- equation: C2H + H2 <=> H + C2H2 # Reaction 172 1379 rate-constant: {A: 5.68e+10, b: 0.9, Ea: 1993} 1380- equation: C2H3 + O2 <=> HCO + CH2O # Reaction 173 1381 rate-constant: {A: 4.58e+16, b: -1.39, Ea: 1015} 1382- equation: C2H4 (+ M) <=> H2 + C2H2 (+ M) # Reaction 174 1383 type: falloff 1384 low-P-rate-constant: {A: 1.58e+51, b: -9.3, Ea: 97800} 1385 high-P-rate-constant: {A: 8.0e+12, b: 0.44, Ea: 86770} 1386 Troe: {A: 0.7345, T3: 180, T1: 1035, T2: 5417} 1387 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1388- equation: C2H5 + O2 <=> HO2 + C2H4 # Reaction 175 1389 rate-constant: {A: 8.4e+11, b: 0, Ea: 3875} 1390- equation: HCCO + O2 <=> OH + 2 CO # Reaction 176 1391 rate-constant: {A: 3.2e+12, b: 0, Ea: 854} 1392- equation: 2 HCCO <=> 2 CO + C2H2 # Reaction 177 1393 rate-constant: {A: 1.0e+13, b: 0, Ea: 0} 1394- equation: N + NO <=> N2 + O # Reaction 178 1395 rate-constant: {A: 2.7e+13, b: 0, Ea: 355} 1396- equation: N + O2 <=> NO + O # Reaction 179 1397 rate-constant: {A: 9.0e+09, b: 1, Ea: 6500} 1398- equation: N + OH <=> NO + H # Reaction 180 1399 rate-constant: {A: 3.36e+13, b: 0, Ea: 385} 1400- equation: N2O + O <=> N2 + O2 # Reaction 181 1401 rate-constant: {A: 1.4e+12, b: 0, Ea: 10810} 1402- equation: N2O + O <=> 2 NO # Reaction 182 1403 rate-constant: {A: 2.9e+13, b: 0, Ea: 23150} 1404- equation: N2O + H <=> N2 + OH # Reaction 183 1405 rate-constant: {A: 3.87e+14, b: 0, Ea: 18880} 1406- equation: N2O + OH <=> N2 + HO2 # Reaction 184 1407 rate-constant: {A: 2.0e+12, b: 0, Ea: 21060} 1408- equation: N2O (+ M) <=> N2 + O (+ M) # Reaction 185 1409 type: falloff 1410 low-P-rate-constant: {A: 6.37e+14, b: 0, Ea: 56640} 1411 high-P-rate-constant: {A: 7.91e+10, b: 0, Ea: 56020} 1412 efficiencies: {AR: 0.625, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1413- equation: HO2 + NO <=> NO2 + OH # Reaction 186 1414 rate-constant: {A: 2.11e+12, b: 0, Ea: -480} 1415- equation: NO + O + M <=> NO2 + M # Reaction 187 1416 type: three-body 1417 rate-constant: {A: 1.06e+20, b: -1.41, Ea: 0} 1418 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1419- equation: NO2 + O <=> NO + O2 # Reaction 188 1420 rate-constant: {A: 3.9e+12, b: 0, Ea: -240} 1421- equation: NO2 + H <=> NO + OH # Reaction 189 1422 rate-constant: {A: 1.32e+14, b: 0, Ea: 360} 1423- equation: NH + O <=> NO + H # Reaction 190 1424 rate-constant: {A: 4.0e+13, b: 0, Ea: 0} 1425- equation: NH + H <=> N + H2 # Reaction 191 1426 rate-constant: {A: 3.2e+13, b: 0, Ea: 330} 1427- equation: NH + OH <=> HNO + H # Reaction 192 1428 rate-constant: {A: 2.0e+13, b: 0, Ea: 0} 1429- equation: NH + OH <=> N + H2O # Reaction 193 1430 rate-constant: {A: 2.0e+09, b: 1.2, Ea: 0} 1431- equation: NH + O2 <=> HNO + O # Reaction 194 1432 rate-constant: {A: 4.61e+05, b: 2, Ea: 6500} 1433- equation: NH + O2 <=> NO + OH # Reaction 195 1434 rate-constant: {A: 1.28e+06, b: 1.5, Ea: 100} 1435- equation: NH + N <=> N2 + H # Reaction 196 1436 rate-constant: {A: 1.5e+13, b: 0, Ea: 0} 1437- equation: NH + H2O <=> HNO + H2 # Reaction 197 1438 rate-constant: {A: 2.0e+13, b: 0, Ea: 13850} 1439- equation: NH + NO <=> N2 + OH # Reaction 198 1440 rate-constant: {A: 2.16e+13, b: -0.23, Ea: 0} 1441- equation: NH + NO <=> N2O + H # Reaction 199 1442 rate-constant: {A: 3.65e+14, b: -0.45, Ea: 0} 1443- equation: NH2 + O <=> OH + NH # Reaction 200 1444 rate-constant: {A: 3.0e+12, b: 0, Ea: 0} 1445- equation: NH2 + O <=> H + HNO # Reaction 201 1446 rate-constant: {A: 3.9e+13, b: 0, Ea: 0} 1447- equation: NH2 + H <=> NH + H2 # Reaction 202 1448 rate-constant: {A: 4.0e+13, b: 0, Ea: 3650} 1449- equation: NH2 + OH <=> NH + H2O # Reaction 203 1450 rate-constant: {A: 9.0e+07, b: 1.5, Ea: -460} 1451- equation: NNH <=> N2 + H # Reaction 204 1452 rate-constant: {A: 3.3e+08, b: 0, Ea: 0} 1453- equation: NNH + M <=> N2 + H + M # Reaction 205 1454 type: three-body 1455 rate-constant: {A: 1.3e+14, b: -0.11, Ea: 4980} 1456 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1457- equation: NNH + O2 <=> HO2 + N2 # Reaction 206 1458 rate-constant: {A: 5.0e+12, b: 0, Ea: 0} 1459- equation: NNH + O <=> OH + N2 # Reaction 207 1460 rate-constant: {A: 2.5e+13, b: 0, Ea: 0} 1461- equation: NNH + O <=> NH + NO # Reaction 208 1462 rate-constant: {A: 7.0e+13, b: 0, Ea: 0} 1463- equation: NNH + H <=> H2 + N2 # Reaction 209 1464 rate-constant: {A: 5.0e+13, b: 0, Ea: 0} 1465- equation: NNH + OH <=> H2O + N2 # Reaction 210 1466 rate-constant: {A: 2.0e+13, b: 0, Ea: 0} 1467- equation: NNH + CH3 <=> CH4 + N2 # Reaction 211 1468 rate-constant: {A: 2.5e+13, b: 0, Ea: 0} 1469- equation: H + NO + M <=> HNO + M # Reaction 212 1470 type: three-body 1471 rate-constant: {A: 4.48e+19, b: -1.32, Ea: 740} 1472 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1473- equation: HNO + O <=> NO + OH # Reaction 213 1474 rate-constant: {A: 2.5e+13, b: 0, Ea: 0} 1475- equation: HNO + H <=> H2 + NO # Reaction 214 1476 rate-constant: {A: 9.0e+11, b: 0.72, Ea: 660} 1477- equation: HNO + OH <=> NO + H2O # Reaction 215 1478 rate-constant: {A: 1.3e+07, b: 1.9, Ea: -950} 1479- equation: HNO + O2 <=> HO2 + NO # Reaction 216 1480 rate-constant: {A: 1.0e+13, b: 0, Ea: 13000} 1481- equation: CN + O <=> CO + N # Reaction 217 1482 rate-constant: {A: 7.7e+13, b: 0, Ea: 0} 1483- equation: CN + OH <=> NCO + H # Reaction 218 1484 rate-constant: {A: 4.0e+13, b: 0, Ea: 0} 1485- equation: CN + H2O <=> HCN + OH # Reaction 219 1486 rate-constant: {A: 8.0e+12, b: 0, Ea: 7460} 1487- equation: CN + O2 <=> NCO + O # Reaction 220 1488 rate-constant: {A: 6.14e+12, b: 0, Ea: -440} 1489- equation: CN + H2 <=> HCN + H # Reaction 221 1490 rate-constant: {A: 2.95e+05, b: 2.45, Ea: 2240} 1491- equation: NCO + O <=> NO + CO # Reaction 222 1492 rate-constant: {A: 2.35e+13, b: 0, Ea: 0} 1493- equation: NCO + H <=> NH + CO # Reaction 223 1494 rate-constant: {A: 5.4e+13, b: 0, Ea: 0} 1495- equation: NCO + OH <=> NO + H + CO # Reaction 224 1496 rate-constant: {A: 2.5e+12, b: 0, Ea: 0} 1497- equation: NCO + N <=> N2 + CO # Reaction 225 1498 rate-constant: {A: 2.0e+13, b: 0, Ea: 0} 1499- equation: NCO + O2 <=> NO + CO2 # Reaction 226 1500 rate-constant: {A: 2.0e+12, b: 0, Ea: 20000} 1501- equation: NCO + M <=> N + CO + M # Reaction 227 1502 type: three-body 1503 rate-constant: {A: 3.1e+14, b: 0, Ea: 54050} 1504 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1505- equation: NCO + NO <=> N2O + CO # Reaction 228 1506 rate-constant: {A: 1.9e+17, b: -1.52, Ea: 740} 1507- equation: NCO + NO <=> N2 + CO2 # Reaction 229 1508 rate-constant: {A: 3.8e+18, b: -2, Ea: 800} 1509- equation: HCN + M <=> H + CN + M # Reaction 230 1510 type: three-body 1511 rate-constant: {A: 1.04e+29, b: -3.3, Ea: 126600} 1512 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1513- equation: HCN + O <=> NCO + H # Reaction 231 1514 rate-constant: {A: 2.03e+04, b: 2.64, Ea: 4980} 1515- equation: HCN + O <=> NH + CO # Reaction 232 1516 rate-constant: {A: 5070.0, b: 2.64, Ea: 4980} 1517- equation: HCN + O <=> CN + OH # Reaction 233 1518 rate-constant: {A: 3.91e+09, b: 1.58, Ea: 26600} 1519- equation: HCN + OH <=> HOCN + H # Reaction 234 1520 rate-constant: {A: 1.1e+06, b: 2.03, Ea: 13370} 1521- equation: HCN + OH <=> HNCO + H # Reaction 235 1522 rate-constant: {A: 4400.0, b: 2.26, Ea: 6400} 1523- equation: HCN + OH <=> NH2 + CO # Reaction 236 1524 rate-constant: {A: 160.0, b: 2.56, Ea: 9000} 1525- equation: H + HCN (+ M) <=> H2CN (+ M) # Reaction 237 1526 type: falloff 1527 low-P-rate-constant: {A: 1.4e+26, b: -3.4, Ea: 1900} 1528 high-P-rate-constant: {A: 3.3e+13, b: 0, Ea: 0} 1529 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1530- equation: H2CN + N <=> N2 + CH2 # Reaction 238 1531 rate-constant: {A: 6.0e+13, b: 0, Ea: 400} 1532- equation: C + N2 <=> CN + N # Reaction 239 1533 rate-constant: {A: 6.3e+13, b: 0, Ea: 46020} 1534- equation: CH + N2 <=> HCN + N # Reaction 240 1535 rate-constant: {A: 3.12e+09, b: 0.88, Ea: 20130} 1536- equation: CH + N2 (+ M) <=> HCNN (+ M) # Reaction 241 1537 type: falloff 1538 low-P-rate-constant: {A: 1.3e+25, b: -3.16, Ea: 740} 1539 high-P-rate-constant: {A: 3.1e+12, b: 0.15, Ea: 0} 1540 Troe: {A: 0.667, T3: 235, T1: 2117, T2: 4536} 1541 efficiencies: {AR: 1, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1542- equation: CH2 + N2 <=> HCN + NH # Reaction 242 1543 rate-constant: {A: 1.0e+13, b: 0, Ea: 74000} 1544- equation: CH2(S) + N2 <=> NH + HCN # Reaction 243 1545 rate-constant: {A: 1.0e+11, b: 0, Ea: 65000} 1546- equation: C + NO <=> CN + O # Reaction 244 1547 rate-constant: {A: 1.9e+13, b: 0, Ea: 0} 1548- equation: C + NO <=> CO + N # Reaction 245 1549 rate-constant: {A: 2.9e+13, b: 0, Ea: 0} 1550- equation: CH + NO <=> HCN + O # Reaction 246 1551 rate-constant: {A: 4.1e+13, b: 0, Ea: 0} 1552- equation: CH + NO <=> H + NCO # Reaction 247 1553 rate-constant: {A: 1.62e+13, b: 0, Ea: 0} 1554- equation: CH + NO <=> N + HCO # Reaction 248 1555 rate-constant: {A: 2.46e+13, b: 0, Ea: 0} 1556- equation: CH2 + NO <=> H + HNCO # Reaction 249 1557 rate-constant: {A: 3.1e+17, b: -1.38, Ea: 1270} 1558- equation: CH2 + NO <=> OH + HCN # Reaction 250 1559 rate-constant: {A: 2.9e+14, b: -0.69, Ea: 760} 1560- equation: CH2 + NO <=> H + HCNO # Reaction 251 1561 rate-constant: {A: 3.8e+13, b: -0.36, Ea: 580} 1562- equation: CH2(S) + NO <=> H + HNCO # Reaction 252 1563 rate-constant: {A: 3.1e+17, b: -1.38, Ea: 1270} 1564- equation: CH2(S) + NO <=> OH + HCN # Reaction 253 1565 rate-constant: {A: 2.9e+14, b: -0.69, Ea: 760} 1566- equation: CH2(S) + NO <=> H + HCNO # Reaction 254 1567 rate-constant: {A: 3.8e+13, b: -0.36, Ea: 580} 1568- equation: CH3 + NO <=> HCN + H2O # Reaction 255 1569 rate-constant: {A: 9.6e+13, b: 0, Ea: 28800} 1570- equation: CH3 + NO <=> H2CN + OH # Reaction 256 1571 rate-constant: {A: 1.0e+12, b: 0, Ea: 21750} 1572- equation: HCNN + O <=> CO + H + N2 # Reaction 257 1573 rate-constant: {A: 2.2e+13, b: 0, Ea: 0} 1574- equation: HCNN + O <=> HCN + NO # Reaction 258 1575 rate-constant: {A: 2.0e+12, b: 0, Ea: 0} 1576- equation: HCNN + O2 <=> O + HCO + N2 # Reaction 259 1577 rate-constant: {A: 1.2e+13, b: 0, Ea: 0} 1578- equation: HCNN + OH <=> H + HCO + N2 # Reaction 260 1579 rate-constant: {A: 1.2e+13, b: 0, Ea: 0} 1580- equation: HCNN + H <=> CH2 + N2 # Reaction 261 1581 rate-constant: {A: 1.0e+14, b: 0, Ea: 0} 1582- equation: HNCO + O <=> NH + CO2 # Reaction 262 1583 rate-constant: {A: 9.8e+07, b: 1.41, Ea: 8500} 1584- equation: HNCO + O <=> HNO + CO # Reaction 263 1585 rate-constant: {A: 1.5e+08, b: 1.57, Ea: 44000} 1586- equation: HNCO + O <=> NCO + OH # Reaction 264 1587 rate-constant: {A: 2.2e+06, b: 2.11, Ea: 11400} 1588- equation: HNCO + H <=> NH2 + CO # Reaction 265 1589 rate-constant: {A: 2.25e+07, b: 1.7, Ea: 3800} 1590- equation: HNCO + H <=> H2 + NCO # Reaction 266 1591 rate-constant: {A: 1.05e+05, b: 2.5, Ea: 13300} 1592- equation: HNCO + OH <=> NCO + H2O # Reaction 267 1593 rate-constant: {A: 3.3e+07, b: 1.5, Ea: 3600} 1594- equation: HNCO + OH <=> NH2 + CO2 # Reaction 268 1595 rate-constant: {A: 3.3e+06, b: 1.5, Ea: 3600} 1596- equation: HNCO + M <=> NH + CO + M # Reaction 269 1597 type: three-body 1598 rate-constant: {A: 1.18e+16, b: 0, Ea: 84720} 1599 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1600- equation: HCNO + H <=> H + HNCO # Reaction 270 1601 rate-constant: {A: 2.1e+15, b: -0.69, Ea: 2850} 1602- equation: HCNO + H <=> OH + HCN # Reaction 271 1603 rate-constant: {A: 2.7e+11, b: 0.18, Ea: 2120} 1604- equation: HCNO + H <=> NH2 + CO # Reaction 272 1605 rate-constant: {A: 1.7e+14, b: -0.75, Ea: 2890} 1606- equation: HOCN + H <=> H + HNCO # Reaction 273 1607 rate-constant: {A: 2.0e+07, b: 2, Ea: 2000} 1608- equation: HCCO + NO <=> HCNO + CO # Reaction 274 1609 rate-constant: {A: 9.0e+12, b: 0, Ea: 0} 1610- equation: CH3 + N <=> H2CN + H # Reaction 275 1611 rate-constant: {A: 6.1e+14, b: -0.31, Ea: 290} 1612- equation: CH3 + N <=> HCN + H2 # Reaction 276 1613 rate-constant: {A: 3.7e+12, b: 0.15, Ea: -90} 1614- equation: NH3 + H <=> NH2 + H2 # Reaction 277 1615 rate-constant: {A: 5.4e+05, b: 2.4, Ea: 9915} 1616- equation: NH3 + OH <=> NH2 + H2O # Reaction 278 1617 rate-constant: {A: 5.0e+07, b: 1.6, Ea: 955} 1618- equation: NH3 + O <=> NH2 + OH # Reaction 279 1619 rate-constant: {A: 9.4e+06, b: 1.94, Ea: 6460} 1620- equation: NH + CO2 <=> HNO + CO # Reaction 280 1621 rate-constant: {A: 1.0e+13, b: 0, Ea: 14350} 1622- equation: CN + NO2 <=> NCO + NO # Reaction 281 1623 rate-constant: {A: 6.16e+15, b: -0.752, Ea: 345} 1624- equation: NCO + NO2 <=> N2O + CO2 # Reaction 282 1625 rate-constant: {A: 3.25e+12, b: 0, Ea: -705} 1626- equation: N + CO2 <=> NO + CO # Reaction 283 1627 rate-constant: {A: 3.0e+12, b: 0, Ea: 11300} 1628- equation: O + CH3 => H + H2 + CO # Reaction 284 1629 rate-constant: {A: 3.37e+13, b: 0, Ea: 0} 1630- equation: O + C2H4 <=> H + CH2CHO # Reaction 285 1631 rate-constant: {A: 6.7e+06, b: 1.83, Ea: 220} 1632- equation: O + C2H5 <=> H + CH3CHO # Reaction 286 1633 rate-constant: {A: 1.096e+14, b: 0, Ea: 0} 1634- equation: OH + HO2 <=> O2 + H2O # Reaction 287 1635 rate-constant: {A: 5.0e+15, b: 0, Ea: 17330} 1636 duplicate: true 1637- equation: OH + CH3 => H2 + CH2O # Reaction 288 1638 rate-constant: {A: 8.0e+09, b: 0.5, Ea: -1755} 1639- equation: CH + H2 (+ M) <=> CH3 (+ M) # Reaction 289 1640 type: falloff 1641 low-P-rate-constant: {A: 4.82e+25, b: -2.8, Ea: 590} 1642 high-P-rate-constant: {A: 1.97e+12, b: 0.43, Ea: -370} 1643 Troe: {A: 0.578, T3: 122, T1: 2535, T2: 9365} 1644 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1645- equation: CH2 + O2 => 2 H + CO2 # Reaction 290 1646 rate-constant: {A: 5.8e+12, b: 0, Ea: 1500} 1647- equation: CH2 + O2 <=> O + CH2O # Reaction 291 1648 rate-constant: {A: 2.4e+12, b: 0, Ea: 1500} 1649- equation: CH2 + CH2 => 2 H + C2H2 # Reaction 292 1650 rate-constant: {A: 2.0e+14, b: 0, Ea: 10989} 1651- equation: CH2(S) + H2O => H2 + CH2O # Reaction 293 1652 rate-constant: {A: 6.82e+10, b: 0.25, Ea: -935} 1653- equation: C2H3 + O2 <=> O + CH2CHO # Reaction 294 1654 rate-constant: {A: 3.03e+11, b: 0.29, Ea: 11} 1655- equation: C2H3 + O2 <=> HO2 + C2H2 # Reaction 295 1656 rate-constant: {A: 1.337e+06, b: 1.61, Ea: -384} 1657- equation: O + CH3CHO <=> OH + CH2CHO # Reaction 296 1658 rate-constant: {A: 2.92e+12, b: 0, Ea: 1808} 1659- equation: O + CH3CHO => OH + CH3 + CO # Reaction 297 1660 rate-constant: {A: 2.92e+12, b: 0, Ea: 1808} 1661- equation: O2 + CH3CHO => HO2 + CH3 + CO # Reaction 298 1662 rate-constant: {A: 3.01e+13, b: 0, Ea: 39150} 1663- equation: H + CH3CHO <=> CH2CHO + H2 # Reaction 299 1664 rate-constant: {A: 2.05e+09, b: 1.16, Ea: 2405} 1665- equation: H + CH3CHO => CH3 + H2 + CO # Reaction 300 1666 rate-constant: {A: 2.05e+09, b: 1.16, Ea: 2405} 1667- equation: OH + CH3CHO => CH3 + H2O + CO # Reaction 301 1668 rate-constant: {A: 2.343e+10, b: 0.73, Ea: -1113} 1669- equation: HO2 + CH3CHO => CH3 + H2O2 + CO # Reaction 302 1670 rate-constant: {A: 3.01e+12, b: 0, Ea: 11923} 1671- equation: CH3 + CH3CHO => CH3 + CH4 + CO # Reaction 303 1672 rate-constant: {A: 2.72e+06, b: 1.77, Ea: 5920} 1673- equation: H + CH2CO (+ M) <=> CH2CHO (+ M) # Reaction 304 1674 type: falloff 1675 low-P-rate-constant: {A: 1.012e+42, b: -7.63, Ea: 3854} 1676 high-P-rate-constant: {A: 4.865e+11, b: 0.422, Ea: -1755} 1677 Troe: {A: 0.465, T3: 201, T1: 1773, T2: 5333} 1678 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1679- equation: O + CH2CHO => H + CH2 + CO2 # Reaction 305 1680 rate-constant: {A: 1.5e+14, b: 0, Ea: 0} 1681- equation: O2 + CH2CHO => OH + CO + CH2O # Reaction 306 1682 rate-constant: {A: 1.81e+10, b: 0, Ea: 0} 1683- equation: O2 + CH2CHO => OH + 2 HCO # Reaction 307 1684 rate-constant: {A: 2.35e+10, b: 0, Ea: 0} 1685- equation: H + CH2CHO <=> CH3 + HCO # Reaction 308 1686 rate-constant: {A: 2.2e+13, b: 0, Ea: 0} 1687- equation: H + CH2CHO <=> CH2CO + H2 # Reaction 309 1688 rate-constant: {A: 1.1e+13, b: 0, Ea: 0} 1689- equation: OH + CH2CHO <=> H2O + CH2CO # Reaction 310 1690 rate-constant: {A: 1.2e+13, b: 0, Ea: 0} 1691- equation: OH + CH2CHO <=> HCO + CH2OH # Reaction 311 1692 rate-constant: {A: 3.01e+13, b: 0, Ea: 0} 1693- equation: CH3 + C2H5 (+ M) <=> C3H8 (+ M) # Reaction 312 1694 type: falloff 1695 low-P-rate-constant: {A: 2.71e+74, b: -16.82, Ea: 13065} 1696 high-P-rate-constant: {A: 9.43e+12, b: 0, Ea: 0} 1697 Troe: {A: 0.1527, T3: 291, T1: 2742, T2: 7748} 1698 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1699- equation: O + C3H8 <=> OH + C3H7 # Reaction 313 1700 rate-constant: {A: 1.93e+05, b: 2.68, Ea: 3716} 1701- equation: H + C3H8 <=> C3H7 + H2 # Reaction 314 1702 rate-constant: {A: 1.32e+06, b: 2.54, Ea: 6756} 1703- equation: OH + C3H8 <=> C3H7 + H2O # Reaction 315 1704 rate-constant: {A: 3.16e+07, b: 1.8, Ea: 934} 1705- equation: C3H7 + H2O2 <=> HO2 + C3H8 # Reaction 316 1706 rate-constant: {A: 378.0, b: 2.72, Ea: 1500} 1707- equation: CH3 + C3H8 <=> C3H7 + CH4 # Reaction 317 1708 rate-constant: {A: 0.903, b: 3.65, Ea: 7154} 1709- equation: CH3 + C2H4 (+ M) <=> C3H7 (+ M) # Reaction 318 1710 type: falloff 1711 low-P-rate-constant: {A: 3.0e+63, b: -14.6, Ea: 18170} 1712 high-P-rate-constant: {A: 2.55e+06, b: 1.6, Ea: 5700} 1713 Troe: {A: 0.1894, T3: 277, T1: 8748, T2: 7891} 1714 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1715- equation: O + C3H7 <=> C2H5 + CH2O # Reaction 319 1716 rate-constant: {A: 9.64e+13, b: 0, Ea: 0} 1717- equation: H + C3H7 (+ M) <=> C3H8 (+ M) # Reaction 320 1718 type: falloff 1719 low-P-rate-constant: {A: 4.42e+61, b: -13.545, Ea: 11357} 1720 high-P-rate-constant: {A: 3.613e+13, b: 0, Ea: 0} 1721 Troe: {A: 0.315, T3: 369, T1: 3285, T2: 6667} 1722 efficiencies: {AR: 0.7, C2H6: 3, CH4: 2, CO: 1.5, CO2: 2, H2: 2, H2O: 6} 1723- equation: H + C3H7 <=> CH3 + C2H5 # Reaction 321 1724 rate-constant: {A: 4.06e+06, b: 2.19, Ea: 890} 1725- equation: OH + C3H7 <=> C2H5 + CH2OH # Reaction 322 1726 rate-constant: {A: 2.41e+13, b: 0, Ea: 0} 1727- equation: HO2 + C3H7 <=> O2 + C3H8 # Reaction 323 1728 rate-constant: {A: 2.55e+10, b: 0.255, Ea: -943} 1729- equation: HO2 + C3H7 => OH + C2H5 + CH2O # Reaction 324 1730 rate-constant: {A: 2.41e+13, b: 0, Ea: 0} 1731- equation: CH3 + C3H7 <=> 2 C2H5 # Reaction 325 1732 rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0} 1733