module mHYCHEMNOX2954817AF implicit none INTEGER, PARAMETER :: pr = selected_real_kind(15,307) REAL(KIND=pr) :: working_precision_variables integer, parameter :: nspec = 29 integer, parameter :: nreac = 518 integer, parameter :: isc_T = 1 integer, parameter :: neq = nspec + 1 ! QSS variables ! Number of QSS species integer, parameter :: nqss = 17 ! QSS species integer, dimension(nspec + nqss) :: iqss real(pr), dimension(nspec + nqss) :: W_sp,Cp_sp,h_sp,dh_sp real(pr) :: C2H5_subs character(len=15), dimension(nspec + nqss) :: gname character(len=5), dimension(nreac) :: rname ! Post processing variables ! Number of groups integer, parameter :: ng = 47 ! Max number of species in groups integer, parameter :: maxppn = 1 ! Number of species in each group integer, dimension(ng) :: ppn ! Species in each group integer, dimension(ng,maxppn) :: pp ! Name of species in each group character(len=30), dimension(ng) :: ppname ! Actual expression of each reaction character(len=65), dimension(nreac) :: reacexp ! Link between backward and forward rates integer, dimension(nreac) :: fofb ! Index of species integer, parameter :: sN2 = 1 integer, parameter :: sH = 2 integer, parameter :: sH2 = 3 integer, parameter :: sO = 4 integer, parameter :: sO2 = 5 integer, parameter :: sOH = 6 integer, parameter :: sH2O = 7 integer, parameter :: sH2O2 = 8 integer, parameter :: sHO2 = 9 integer, parameter :: sCO = 10 integer, parameter :: sCH2O = 11 integer, parameter :: sCH3 = 12 integer, parameter :: sCO2 = 13 integer, parameter :: sCH4 = 14 integer, parameter :: sC2H4 = 15 integer, parameter :: sC2H6 = 16 integer, parameter :: sCH2CO = 17 integer, parameter :: sC2H2 = 18 integer, parameter :: sC3H6 = 19 integer, parameter :: sIXXC4H8 = 20 integer, parameter :: sC5H6 = 21 integer, parameter :: sC6H5CH3 = 22 integer, parameter :: sC6H6 = 23 integer, parameter :: sC6H5O = 24 integer, parameter :: sC6H4O2 = 25 integer, parameter :: sPOSF10325XC11H22 = 26 integer, parameter :: sNO = 27 integer, parameter :: sHCN = 28 integer, parameter :: sNO2 = 29 integer, parameter :: sCH = 30 integer, parameter :: sHCO = 31 integer, parameter :: sCH2 = 32 integer, parameter :: sCH2DXCH2 = 33 integer, parameter :: sCH3O = 34 integer, parameter :: sC2H5 = 35 integer, parameter :: sC2H3 = 36 integer, parameter :: sHCCO = 37 integer, parameter :: sAXXC3H5 = 38 integer, parameter :: sCH2CHO = 39 integer, parameter :: sC6H5 = 40 integer, parameter :: sN = 41 integer, parameter :: sNCO = 42 integer, parameter :: sH2CN = 43 integer, parameter :: sCN = 44 integer, parameter :: sNH = 45 integer, parameter :: sHNO = 46 ! Index of reactions integer, parameter :: r1f = 1 integer, parameter :: r2f = 2 integer, parameter :: r3f = 3 integer, parameter :: r4f = 4 integer, parameter :: r5f = 5 integer, parameter :: r6f = 6 integer, parameter :: r7f = 7 integer, parameter :: r8f = 8 integer, parameter :: r9f = 9 integer, parameter :: r10f = 10 integer, parameter :: r11f = 11 integer, parameter :: r12f = 12 integer, parameter :: r13f = 13 integer, parameter :: r14f = 14 integer, parameter :: r15f = 15 integer, parameter :: r16f = 16 integer, parameter :: r17f = 17 integer, parameter :: r18f = 18 integer, parameter :: r19f = 19 integer, parameter :: r20f = 20 integer, parameter :: r21f = 21 integer, parameter :: r22f = 22 integer, parameter :: r23f = 23 integer, parameter :: r24f = 24 integer, parameter :: r25f = 25 integer, parameter :: r26f = 26 integer, parameter :: r27f = 27 integer, parameter :: r28f = 28 integer, parameter :: r29f = 29 integer, parameter :: r30f = 30 integer, parameter :: r31f = 31 integer, parameter :: r32f = 32 integer, parameter :: r33f = 33 integer, parameter :: r34f = 34 integer, parameter :: r35f = 35 integer, parameter :: r36f = 36 integer, parameter :: r38f = 37 integer, parameter :: r40f = 38 integer, parameter :: r41f = 39 integer, parameter :: r42f = 40 integer, parameter :: r43f = 41 integer, parameter :: r44f = 42 integer, parameter :: r45f = 43 integer, parameter :: r46f = 44 integer, parameter :: r47f = 45 integer, parameter :: r48f = 46 integer, parameter :: r49f = 47 integer, parameter :: r50f = 48 integer, parameter :: r52f = 49 integer, parameter :: r53f = 50 integer, parameter :: r54f = 51 integer, parameter :: r55f = 52 integer, parameter :: r56f = 53 integer, parameter :: r57f = 54 integer, parameter :: r58f = 55 integer, parameter :: r59f = 56 integer, parameter :: r60f = 57 integer, parameter :: r61f = 58 integer, parameter :: r62f = 59 integer, parameter :: r63f = 60 integer, parameter :: r64f = 61 integer, parameter :: r65f = 62 integer, parameter :: r66f = 63 integer, parameter :: r67f = 64 integer, parameter :: r68f = 65 integer, parameter :: r69f = 66 integer, parameter :: r70f = 67 integer, parameter :: r71f = 68 integer, parameter :: r72f = 69 integer, parameter :: r73f = 70 integer, parameter :: r74f = 71 integer, parameter :: r75f = 72 integer, parameter :: r76f = 73 integer, parameter :: r77f = 74 integer, parameter :: r78f = 75 integer, parameter :: r79f = 76 integer, parameter :: r80f = 77 integer, parameter :: r81f = 78 integer, parameter :: r82f = 79 integer, parameter :: r83f = 80 integer, parameter :: r84f = 81 integer, parameter :: r85f = 82 integer, parameter :: r86f = 83 integer, parameter :: r87f = 84 integer, parameter :: r88f = 85 integer, parameter :: r89f = 86 integer, parameter :: r90f = 87 integer, parameter :: r91f = 88 integer, parameter :: r92f = 89 integer, parameter :: r93f = 90 integer, parameter :: r94f = 91 integer, parameter :: r95f = 92 integer, parameter :: r96f = 93 integer, parameter :: r97f = 94 integer, parameter :: r98f = 95 integer, parameter :: r99f = 96 integer, parameter :: r100f = 97 integer, parameter :: r101f = 98 integer, parameter :: r102f = 99 integer, parameter :: r103f = 100 integer, parameter :: r104f = 101 integer, parameter :: r105f = 102 integer, parameter :: r106f = 103 integer, parameter :: r107f = 104 integer, parameter :: r108f = 105 integer, parameter :: r109f = 106 integer, parameter :: r110f = 107 integer, parameter :: r111f = 108 integer, parameter :: r112f = 109 integer, parameter :: r113f = 110 integer, parameter :: r114f = 111 integer, parameter :: r115f = 112 integer, parameter :: r116f = 113 integer, parameter :: r118f = 114 integer, parameter :: r119f = 115 integer, parameter :: r120f = 116 integer, parameter :: r121f = 117 integer, parameter :: r122f = 118 integer, parameter :: r123f = 119 integer, parameter :: r124f = 120 integer, parameter :: r126f = 121 integer, parameter :: r127f = 122 integer, parameter :: r128f = 123 integer, parameter :: r129f = 124 integer, parameter :: r130f = 125 integer, parameter :: r131f = 126 integer, parameter :: r132f = 127 integer, parameter :: r133f = 128 integer, parameter :: r134f = 129 integer, parameter :: r135f = 130 integer, parameter :: r136f = 131 integer, parameter :: r137f = 132 integer, parameter :: r138f = 133 integer, parameter :: r139f = 134 integer, parameter :: r140f = 135 integer, parameter :: r141f = 136 integer, parameter :: r142f = 137 integer, parameter :: r143f = 138 integer, parameter :: r144f = 139 integer, parameter :: r145f = 140 integer, parameter :: r146f = 141 integer, parameter :: r147f = 142 integer, parameter :: r148f = 143 integer, parameter :: r150f = 144 integer, parameter :: r151f = 145 integer, parameter :: r152f = 146 integer, parameter :: r153f = 147 integer, parameter :: r154f = 148 integer, parameter :: r155f = 149 integer, parameter :: r156f = 150 integer, parameter :: r158f = 151 integer, parameter :: r159f = 152 integer, parameter :: r162f = 153 integer, parameter :: r163f = 154 integer, parameter :: r164f = 155 integer, parameter :: r165f = 156 integer, parameter :: r166f = 157 integer, parameter :: r167f = 158 integer, parameter :: r168f = 159 integer, parameter :: r169f = 160 integer, parameter :: r170f = 161 integer, parameter :: r171f = 162 integer, parameter :: r172f = 163 integer, parameter :: r173f = 164 integer, parameter :: r174f = 165 integer, parameter :: r175f = 166 integer, parameter :: r176f = 167 integer, parameter :: r178f = 168 integer, parameter :: r179f = 169 integer, parameter :: r180f = 170 integer, parameter :: r181f = 171 integer, parameter :: r182f = 172 integer, parameter :: r183f = 173 integer, parameter :: r184f = 174 integer, parameter :: r185f = 175 integer, parameter :: r186f = 176 integer, parameter :: r187f = 177 integer, parameter :: r188f = 178 integer, parameter :: r189f = 179 integer, parameter :: r190f = 180 integer, parameter :: r191f = 181 integer, parameter :: r192f = 182 integer, parameter :: r193f = 183 integer, parameter :: r194f = 184 integer, parameter :: r195f = 185 integer, parameter :: r196f = 186 integer, parameter :: r197f = 187 integer, parameter :: r198f = 188 integer, parameter :: r199f = 189 integer, parameter :: r200f = 190 integer, parameter :: r201f = 191 integer, parameter :: r202f = 192 integer, parameter :: r203f = 193 integer, parameter :: r204f = 194 integer, parameter :: r205f = 195 integer, parameter :: r206f = 196 integer, parameter :: r207f = 197 integer, parameter :: r208 = 198 integer, parameter :: r209 = 199 integer, parameter :: r210 = 200 integer, parameter :: r211 = 201 integer, parameter :: r212 = 202 integer, parameter :: r213 = 203 integer, parameter :: r215 = 204 integer, parameter :: r216 = 205 integer, parameter :: r217 = 206 integer, parameter :: r218 = 207 integer, parameter :: r220 = 208 integer, parameter :: r222 = 209 integer, parameter :: r224 = 210 integer, parameter :: r225 = 211 integer, parameter :: r226 = 212 integer, parameter :: r227 = 213 integer, parameter :: r229 = 214 integer, parameter :: r231 = 215 integer, parameter :: r232 = 216 integer, parameter :: r233 = 217 integer, parameter :: r234 = 218 integer, parameter :: r235 = 219 integer, parameter :: r236 = 220 integer, parameter :: r237 = 221 integer, parameter :: r238 = 222 integer, parameter :: r239 = 223 integer, parameter :: r240 = 224 integer, parameter :: r241 = 225 integer, parameter :: r242 = 226 integer, parameter :: r243 = 227 integer, parameter :: r244 = 228 integer, parameter :: r245 = 229 integer, parameter :: r246 = 230 integer, parameter :: r247 = 231 integer, parameter :: r248 = 232 integer, parameter :: r249 = 233 integer, parameter :: r250 = 234 integer, parameter :: r251 = 235 integer, parameter :: r252 = 236 integer, parameter :: r253 = 237 integer, parameter :: r254 = 238 integer, parameter :: r255 = 239 integer, parameter :: r256 = 240 integer, parameter :: r257 = 241 integer, parameter :: r258 = 242 integer, parameter :: r259 = 243 integer, parameter :: r260 = 244 integer, parameter :: r261 = 245 integer, parameter :: r262 = 246 integer, parameter :: r263 = 247 integer, parameter :: r264 = 248 integer, parameter :: r266 = 249 integer, parameter :: r267 = 250 integer, parameter :: r268 = 251 integer, parameter :: r269 = 252 integer, parameter :: r270 = 253 integer, parameter :: r271 = 254 integer, parameter :: r272 = 255 integer, parameter :: r273 = 256 integer, parameter :: r274 = 257 integer, parameter :: r275 = 258 integer, parameter :: r276 = 259 integer, parameter :: r277 = 260 integer, parameter :: r278 = 261 integer, parameter :: r279 = 262 integer, parameter :: r280 = 263 integer, parameter :: r281 = 264 integer, parameter :: r282 = 265 integer, parameter :: r283 = 266 integer, parameter :: r284 = 267 integer, parameter :: r285 = 268 integer, parameter :: r286 = 269 integer, parameter :: r287 = 270 integer, parameter :: r288 = 271 integer, parameter :: r289 = 272 integer, parameter :: r290 = 273 integer, parameter :: r291 = 274 integer, parameter :: r292 = 275 integer, parameter :: r293 = 276 integer, parameter :: r294 = 277 integer, parameter :: r295 = 278 integer, parameter :: r296 = 279 integer, parameter :: r297 = 280 integer, parameter :: r298 = 281 integer, parameter :: r299 = 282 integer, parameter :: r300 = 283 integer, parameter :: r301 = 284 integer, parameter :: r302 = 285 integer, parameter :: r303 = 286 integer, parameter :: r304 = 287 integer, parameter :: r305 = 288 integer, parameter :: r306 = 289 integer, parameter :: r307 = 290 integer, parameter :: r308 = 291 integer, parameter :: r309 = 292 integer, parameter :: r310 = 293 integer, parameter :: r311 = 294 integer, parameter :: r312 = 295 integer, parameter :: r313 = 296 integer, parameter :: r314 = 297 integer, parameter :: r315 = 298 integer, parameter :: r316 = 299 integer, parameter :: r318 = 300 integer, parameter :: r319 = 301 integer, parameter :: r320 = 302 integer, parameter :: r321 = 303 integer, parameter :: r322 = 304 integer, parameter :: r323 = 305 integer, parameter :: r325 = 306 integer, parameter :: r326 = 307 integer, parameter :: r327 = 308 integer, parameter :: r328 = 309 integer, parameter :: r329 = 310 integer, parameter :: r330 = 311 integer, parameter :: r331 = 312 integer, parameter :: r332f = 313 integer, parameter :: r333 = 314 integer, parameter :: r334 = 315 integer, parameter :: r336 = 316 integer, parameter :: r337 = 317 integer, parameter :: r338 = 318 integer, parameter :: r339 = 319 integer, parameter :: r340 = 320 integer, parameter :: r1b = 321 integer, parameter :: r2b = 322 integer, parameter :: r3b = 323 integer, parameter :: r4b = 324 integer, parameter :: r5b = 325 integer, parameter :: r6b = 326 integer, parameter :: r7b = 327 integer, parameter :: r8b = 328 integer, parameter :: r9b = 329 integer, parameter :: r10b = 330 integer, parameter :: r11b = 331 integer, parameter :: r12b = 332 integer, parameter :: r13b = 333 integer, parameter :: r14b = 334 integer, parameter :: r15b = 335 integer, parameter :: r16b = 336 integer, parameter :: r17b = 337 integer, parameter :: r18b = 338 integer, parameter :: r19b = 339 integer, parameter :: r20b = 340 integer, parameter :: r21b = 341 integer, parameter :: r22b = 342 integer, parameter :: r23b = 343 integer, parameter :: r24b = 344 integer, parameter :: r25b = 345 integer, parameter :: r26b = 346 integer, parameter :: r27b = 347 integer, parameter :: r28b = 348 integer, parameter :: r29b = 349 integer, parameter :: r30b = 350 integer, parameter :: r31b = 351 integer, parameter :: r32b = 352 integer, parameter :: r33b = 353 integer, parameter :: r34b = 354 integer, parameter :: r35b = 355 integer, parameter :: r36b = 356 integer, parameter :: r38b = 357 integer, parameter :: r40b = 358 integer, parameter :: r41b = 359 integer, parameter :: r42b = 360 integer, parameter :: r43b = 361 integer, parameter :: r44b = 362 integer, parameter :: r45b = 363 integer, parameter :: r46b = 364 integer, parameter :: r47b = 365 integer, parameter :: r48b = 366 integer, parameter :: r49b = 367 integer, parameter :: r50b = 368 integer, parameter :: r52b = 369 integer, parameter :: r53b = 370 integer, parameter :: r54b = 371 integer, parameter :: r55b = 372 integer, parameter :: r56b = 373 integer, parameter :: r57b = 374 integer, parameter :: r58b = 375 integer, parameter :: r59b = 376 integer, parameter :: r60b = 377 integer, parameter :: r61b = 378 integer, parameter :: r62b = 379 integer, parameter :: r63b = 380 integer, parameter :: r64b = 381 integer, parameter :: r65b = 382 integer, parameter :: r66b = 383 integer, parameter :: r67b = 384 integer, parameter :: r68b = 385 integer, parameter :: r69b = 386 integer, parameter :: r70b = 387 integer, parameter :: r71b = 388 integer, parameter :: r72b = 389 integer, parameter :: r73b = 390 integer, parameter :: r74b = 391 integer, parameter :: r75b = 392 integer, parameter :: r76b = 393 integer, parameter :: r77b = 394 integer, parameter :: r78b = 395 integer, parameter :: r79b = 396 integer, parameter :: r80b = 397 integer, parameter :: r81b = 398 integer, parameter :: r82b = 399 integer, parameter :: r83b = 400 integer, parameter :: r84b = 401 integer, parameter :: r85b = 402 integer, parameter :: r86b = 403 integer, parameter :: r87b = 404 integer, parameter :: r88b = 405 integer, parameter :: r89b = 406 integer, parameter :: r90b = 407 integer, parameter :: r91b = 408 integer, parameter :: r92b = 409 integer, parameter :: r93b = 410 integer, parameter :: r94b = 411 integer, parameter :: r95b = 412 integer, parameter :: r96b = 413 integer, parameter :: r97b = 414 integer, parameter :: r98b = 415 integer, parameter :: r99b = 416 integer, parameter :: r100b = 417 integer, parameter :: r101b = 418 integer, parameter :: r102b = 419 integer, parameter :: r103b = 420 integer, parameter :: r104b = 421 integer, parameter :: r105b = 422 integer, parameter :: r106b = 423 integer, parameter :: r107b = 424 integer, parameter :: r108b = 425 integer, parameter :: r109b = 426 integer, parameter :: r110b = 427 integer, parameter :: r111b = 428 integer, parameter :: r112b = 429 integer, parameter :: r113b = 430 integer, parameter :: r114b = 431 integer, parameter :: r115b = 432 integer, parameter :: r116b = 433 integer, parameter :: r118b = 434 integer, parameter :: r119b = 435 integer, parameter :: r120b = 436 integer, parameter :: r121b = 437 integer, parameter :: r122b = 438 integer, parameter :: r123b = 439 integer, parameter :: r124b = 440 integer, parameter :: r126b = 441 integer, parameter :: r127b = 442 integer, parameter :: r128b = 443 integer, parameter :: r129b = 444 integer, parameter :: r130b = 445 integer, parameter :: r131b = 446 integer, parameter :: r132b = 447 integer, parameter :: r133b = 448 integer, parameter :: r134b = 449 integer, parameter :: r135b = 450 integer, parameter :: r136b = 451 integer, parameter :: r137b = 452 integer, parameter :: r138b = 453 integer, parameter :: r139b = 454 integer, parameter :: r140b = 455 integer, parameter :: r141b = 456 integer, parameter :: r142b = 457 integer, parameter :: r143b = 458 integer, parameter :: r144b = 459 integer, parameter :: r145b = 460 integer, parameter :: r146b = 461 integer, parameter :: r147b = 462 integer, parameter :: r148b = 463 integer, parameter :: r150b = 464 integer, parameter :: r151b = 465 integer, parameter :: r152b = 466 integer, parameter :: r153b = 467 integer, parameter :: r154b = 468 integer, parameter :: r155b = 469 integer, parameter :: r156b = 470 integer, parameter :: r158b = 471 integer, parameter :: r159b = 472 integer, parameter :: r162b = 473 integer, parameter :: r163b = 474 integer, parameter :: r164b = 475 integer, parameter :: r165b = 476 integer, parameter :: r166b = 477 integer, parameter :: r167b = 478 integer, parameter :: r168b = 479 integer, parameter :: r169b = 480 integer, parameter :: r170b = 481 integer, parameter :: r171b = 482 integer, parameter :: r172b = 483 integer, parameter :: r173b = 484 integer, parameter :: r174b = 485 integer, parameter :: r175b = 486 integer, parameter :: r176b = 487 integer, parameter :: r178b = 488 integer, parameter :: r179b = 489 integer, parameter :: r180b = 490 integer, parameter :: r181b = 491 integer, parameter :: r182b = 492 integer, parameter :: r183b = 493 integer, parameter :: r184b = 494 integer, parameter :: r185b = 495 integer, parameter :: r186b = 496 integer, parameter :: r187b = 497 integer, parameter :: r188b = 498 integer, parameter :: r189b = 499 integer, parameter :: r190b = 500 integer, parameter :: r191b = 501 integer, parameter :: r192b = 502 integer, parameter :: r193b = 503 integer, parameter :: r194b = 504 integer, parameter :: r195b = 505 integer, parameter :: r196b = 506 integer, parameter :: r197b = 507 integer, parameter :: r198b = 508 integer, parameter :: r199b = 509 integer, parameter :: r200b = 510 integer, parameter :: r201b = 511 integer, parameter :: r202b = 512 integer, parameter :: r203b = 513 integer, parameter :: r204b = 514 integer, parameter :: r205b = 515 integer, parameter :: r206b = 516 integer, parameter :: r207b = 517 integer, parameter :: r332b = 518 ! Index of third bodies integer, parameter :: mM245 = 1 integer, parameter :: mM231 = 2 integer, parameter :: mM5 = 3 integer, parameter :: mM10 = 4 integer, parameter :: mM8 = 5 integer, parameter :: mM19 = 6 integer, parameter :: mM243 = 7 integer, parameter :: mM244 = 8 integer, parameter :: mM12 = 9 integer, parameter :: mM232 = 10 integer, parameter :: mM30 = 11 integer, parameter :: mM13 = 12 integer, parameter :: mM37 = 13 integer, parameter :: mM24 = 14 integer, parameter :: mM17 = 15 integer, parameter :: mM4 = 16 integer, parameter :: mM29 = 17 integer, parameter :: mM233 = 18 integer, parameter :: mM234 = 19 integer, parameter :: mM36 = 20 integer, parameter :: mM41 = 21 integer, parameter :: mM1 = 22 integer, parameter :: mM6 = 23 integer, parameter :: mM65 = 24 integer, parameter :: mM3 = 25 integer, parameter :: mM16 = 26 integer, parameter :: mM11 = 27 integer, parameter :: mM7 = 28 integer, parameter :: mM2 = 29 integer, parameter :: mM246 = 30 integer, parameter :: mM9 = 31 integer, parameter :: mM28 = 32 contains ! subroutine which_mechanism ! use parallel !implicit none ! if (irank.eq.iroot) print*, 'Using mechanism Spec_47_Reac_548_QSS_17_decouple.mech' ! return ! end subroutine which_mechanism ! Subroutine to define groups for post-processing subroutine pp_data implicit none ! Number of species in each group ppn(1) = 1 ppn(2) = 1 ppn(3) = 1 ppn(4) = 1 ppn(5) = 1 ppn(6) = 1 ppn(7) = 1 ppn(8) = 1 ppn(9) = 1 ppn(10) = 1 ppn(11) = 1 ppn(12) = 1 ppn(13) = 1 ppn(14) = 1 ppn(15) = 1 ppn(16) = 1 ppn(17) = 1 ppn(18) = 1 ppn(19) = 1 ppn(20) = 1 ppn(21) = 1 ppn(22) = 1 ppn(23) = 1 ppn(24) = 1 ppn(25) = 1 ppn(26) = 1 ppn(27) = 1 ppn(28) = 1 ppn(29) = 1 ppn(30) = 1 ppn(31) = 1 ppn(32) = 1 ppn(33) = 1 ppn(34) = 1 ppn(35) = 1 ppn(36) = 1 ppn(37) = 1 ppn(38) = 1 ppn(39) = 1 ppn(40) = 1 ppn(41) = 1 ppn(42) = 1 ppn(43) = 1 ppn(44) = 1 ppn(45) = 1 ppn(46) = 1 ppn(47) = 1 ! Indices of species in each group pp(1,1) = 1 pp(2,1) = 2 pp(3,1) = 3 pp(4,1) = 4 pp(5,1) = 5 pp(6,1) = 6 pp(7,1) = 7 pp(8,1) = 8 pp(9,1) = 9 pp(10,1) = 10 pp(11,1) = 11 pp(12,1) = 12 pp(13,1) = 13 pp(14,1) = 14 pp(15,1) = 15 pp(16,1) = 16 pp(17,1) = 17 pp(18,1) = 18 pp(19,1) = 19 pp(20,1) = 20 pp(21,1) = 21 pp(22,1) = 22 pp(23,1) = 23 pp(24,1) = 24 pp(25,1) = 25 pp(26,1) = 26 pp(27,1) = 27 pp(28,1) = 28 pp(29,1) = 29 pp(30,1) = 30 pp(31,1) = 31 pp(32,1) = 32 pp(33,1) = 33 pp(34,1) = 34 pp(35,1) = 35 pp(36,1) = 36 pp(37,1) = 37 pp(38,1) = 38 pp(39,1) = 39 pp(40,1) = 40 pp(41,1) = 41 pp(42,1) = 42 pp(43,1) = 43 pp(44,1) = 44 pp(45,1) = 45 pp(46,1) = 46 pp(47,1) = 1 ! Name of group of species ppname(1) = trim(gname(sN2)) ppname(2) = trim(gname(sH)) ppname(3) = trim(gname(sH2)) ppname(4) = trim(gname(sO)) ppname(5) = trim(gname(sO2)) ppname(6) = trim(gname(sOH)) ppname(7) = trim(gname(sH2O)) ppname(8) = trim(gname(sH2O2)) ppname(9) = trim(gname(sHO2)) ppname(10) = trim(gname(sCH)) ppname(11) = trim(gname(sCO)) ppname(12) = trim(gname(sHCO)) ppname(13) = trim(gname(sCH2O)) ppname(14) = trim(gname(sCH2)) ppname(15) = trim(gname(sCH3)) ppname(16) = trim(gname(sCO2)) ppname(17) = trim(gname(sCH2DXCH2)) ppname(18) = trim(gname(sCH3O)) ppname(19) = trim(gname(sCH4)) ppname(20) = trim(gname(sC2H4)) ppname(21) = trim(gname(sC2H5)) ppname(22) = trim(gname(sC2H6)) ppname(23) = trim(gname(sC2H3)) ppname(24) = trim(gname(sCH2CO)) ppname(25) = trim(gname(sHCCO)) ppname(26) = trim(gname(sC2H2)) ppname(27) = trim(gname(sAXXC3H5)) ppname(28) = trim(gname(sCH2CHO)) ppname(29) = trim(gname(sC3H6)) ppname(30) = trim(gname(sIXXC4H8)) ppname(31) = trim(gname(sC5H6)) ppname(32) = trim(gname(sC6H5)) ppname(33) = trim(gname(sC6H5CH3)) ppname(34) = trim(gname(sC6H6)) ppname(35) = trim(gname(sC6H5O)) ppname(36) = trim(gname(sC6H4O2)) ppname(37) = trim(gname(sPOSF10325XC11H22)) ppname(38) = trim(gname(sN)) ppname(39) = trim(gname(sNO)) ppname(40) = trim(gname(sNCO)) ppname(41) = trim(gname(sH2CN)) ppname(42) = trim(gname(sCN)) ppname(43) = trim(gname(sNH)) ppname(44) = trim(gname(sHCN)) ppname(45) = trim(gname(sHNO)) ppname(46) = trim(gname(sNO2)) ppname(47) = 'N2X' end subroutine pp_data ! Molar mass subroutine molar_mass implicit none W_sp(sN2) = 0.02802_pr W_sp(sH) = 0.001008_pr W_sp(sH2) = 0.002016_pr W_sp(sO) = 0.016_pr W_sp(sO2) = 0.032_pr W_sp(sOH) = 0.017008_pr W_sp(sH2O) = 0.018016_pr W_sp(sH2O2) = 0.034016_pr W_sp(sHO2) = 0.033008_pr W_sp(sCH) = 0.013018_pr W_sp(sCO) = 0.02801_pr W_sp(sHCO) = 0.029018_pr W_sp(sCH2O) = 0.030026_pr W_sp(sCH2) = 0.014026_pr W_sp(sCH3) = 0.015034_pr W_sp(sCO2) = 0.04401_pr W_sp(sCH2DXCH2) = 0.014026_pr W_sp(sCH3O) = 0.031034_pr W_sp(sCH4) = 0.016042_pr W_sp(sC2H4) = 0.028052_pr W_sp(sC2H5) = 0.02906_pr W_sp(sC2H6) = 0.030068_pr W_sp(sC2H3) = 0.027044_pr W_sp(sCH2CO) = 0.042036_pr W_sp(sHCCO) = 0.041028_pr W_sp(sC2H2) = 0.026036_pr W_sp(sAXXC3H5) = 0.04107_pr W_sp(sCH2CHO) = 0.043044_pr W_sp(sC3H6) = 0.042078_pr W_sp(sIXXC4H8) = 0.056104_pr W_sp(sC5H6) = 0.066098_pr W_sp(sC6H5) = 0.0771_pr W_sp(sC6H5CH3) = 0.092134_pr W_sp(sC6H6) = 0.078108_pr W_sp(sC6H5O) = 0.0931_pr W_sp(sC6H4O2) = 0.108092_pr W_sp(sPOSF10325XC11H22) = 0.154286_pr W_sp(sN) = 0.01401_pr W_sp(sNO) = 0.03001_pr W_sp(sNCO) = 0.04202_pr W_sp(sH2CN) = 0.028036_pr W_sp(sCN) = 0.02602_pr W_sp(sNH) = 0.015018_pr W_sp(sHCN) = 0.027028_pr W_sp(sHNO) = 0.031018_pr W_sp(sNO2) = 0.04601_pr end subroutine molar_mass ! Species names subroutine species_name implicit none gname(sN2) = 'N2' gname(sH) = 'H' gname(sH2) = 'H2' gname(sO) = 'O' gname(sO2) = 'O2' gname(sOH) = 'OH' gname(sH2O) = 'H2O' gname(sH2O2) = 'H2O2' gname(sHO2) = 'HO2' gname(sCH) = 'CH' gname(sCO) = 'CO' gname(sHCO) = 'HCO' gname(sCH2O) = 'CH2O' gname(sCH2) = 'CH2' gname(sCH3) = 'CH3' gname(sCO2) = 'CO2' gname(sCH2DXCH2) = 'CH2D-CH2' gname(sCH3O) = 'CH3O' gname(sCH4) = 'CH4' gname(sC2H4) = 'C2H4' gname(sC2H5) = 'C2H5' gname(sC2H6) = 'C2H6' gname(sC2H3) = 'C2H3' gname(sCH2CO) = 'CH2CO' gname(sHCCO) = 'HCCO' gname(sC2H2) = 'C2H2' gname(sAXXC3H5) = 'AX-C3H5' gname(sCH2CHO) = 'CH2CHO' gname(sC3H6) = 'C3H6' gname(sIXXC4H8) = 'IX-C4H8' gname(sC5H6) = 'C5H6' gname(sC6H5) = 'C6H5' gname(sC6H5CH3) = 'C6H5CH3' gname(sC6H6) = 'C6H6' gname(sC6H5O) = 'C6H5O' gname(sC6H4O2) = 'C6H4O2' gname(sPOSF10325XC11H22) = 'POSF10325-C11H22' gname(sN) = 'N' gname(sNO) = 'NO' gname(sNCO) = 'NCO' gname(sH2CN) = 'H2CN' gname(sCN) = 'CN' gname(sNH) = 'NH' gname(sHCN) = 'HCN' gname(sHNO) = 'HNO' gname(sNO2) = 'NO2' end subroutine species_name ! Reaction names subroutine reaction_name implicit none rname(r1f) = '1f' rname(r2f) = '2f' rname(r3f) = '3f' rname(r4f) = '4f' rname(r5f) = '5f' rname(r6f) = '6f' rname(r7f) = '7f' rname(r8f) = '8f' rname(r9f) = '9f' rname(r10f) = '10f' rname(r11f) = '11f' rname(r12f) = '12f' rname(r13f) = '13f' rname(r14f) = '14f' rname(r15f) = '15f' rname(r16f) = '16f' rname(r17f) = '17f' rname(r18f) = '18f' rname(r19f) = '19f' rname(r20f) = '20f' rname(r21f) = '21f' rname(r22f) = '22f' rname(r23f) = '23f' rname(r24f) = '24f' rname(r25f) = '25f' rname(r26f) = '26f' rname(r27f) = '27f' rname(r28f) = '28f' rname(r29f) = '29f' rname(r30f) = '30f' rname(r31f) = '31f' rname(r32f) = '32f' rname(r33f) = '33f' rname(r34f) = '34f' rname(r35f) = '35f' rname(r36f) = '36f' rname(r38f) = '38f' rname(r40f) = '40f' rname(r41f) = '41f' rname(r42f) = '42f' rname(r43f) = '43f' rname(r44f) = '44f' rname(r45f) = '45f' rname(r46f) = '46f' rname(r47f) = '47f' rname(r48f) = '48f' rname(r49f) = '49f' rname(r50f) = '50f' rname(r52f) = '52f' rname(r53f) = '53f' rname(r54f) = '54f' rname(r55f) = '55f' rname(r56f) = '56f' rname(r57f) = '57f' rname(r58f) = '58f' rname(r59f) = '59f' rname(r60f) = '60f' rname(r61f) = '61f' rname(r62f) = '62f' rname(r63f) = '63f' rname(r64f) = '64f' rname(r65f) = '65f' rname(r66f) = '66f' rname(r67f) = '67f' rname(r68f) = '68f' rname(r69f) = '69f' rname(r70f) = '70f' rname(r71f) = '71f' rname(r72f) = '72f' rname(r73f) = '73f' rname(r74f) = '74f' rname(r75f) = '75f' rname(r76f) = '76f' rname(r77f) = '77f' rname(r78f) = '78f' rname(r79f) = '79f' rname(r80f) = '80f' rname(r81f) = '81f' rname(r82f) = '82f' rname(r83f) = '83f' rname(r84f) = '84f' rname(r85f) = '85f' rname(r86f) = '86f' rname(r87f) = '87f' rname(r88f) = '88f' rname(r89f) = '89f' rname(r90f) = '90f' rname(r91f) = '91f' rname(r92f) = '92f' rname(r93f) = '93f' rname(r94f) = '94f' rname(r95f) = '95f' rname(r96f) = '96f' rname(r97f) = '97f' rname(r98f) = '98f' rname(r99f) = '99f' rname(r100f) = '100f' rname(r101f) = '101f' rname(r102f) = '102f' rname(r103f) = '103f' rname(r104f) = '104f' rname(r105f) = '105f' rname(r106f) = '106f' rname(r107f) = '107f' rname(r108f) = '108f' rname(r109f) = '109f' rname(r110f) = '110f' rname(r111f) = '111f' rname(r112f) = '112f' rname(r113f) = '113f' rname(r114f) = '114f' rname(r115f) = '115f' rname(r116f) = '116f' rname(r118f) = '118f' rname(r119f) = '119f' rname(r120f) = '120f' rname(r121f) = '121f' rname(r122f) = '122f' rname(r123f) = '123f' rname(r124f) = '124f' rname(r126f) = '126f' rname(r127f) = '127f' rname(r128f) = '128f' rname(r129f) = '129f' rname(r130f) = '130f' rname(r131f) = '131f' rname(r132f) = '132f' rname(r133f) = '133f' rname(r134f) = '134f' rname(r135f) = '135f' rname(r136f) = '136f' rname(r137f) = '137f' rname(r138f) = '138f' rname(r139f) = '139f' rname(r140f) = '140f' rname(r141f) = '141f' rname(r142f) = '142f' rname(r143f) = '143f' rname(r144f) = '144f' rname(r145f) = '145f' rname(r146f) = '146f' rname(r147f) = '147f' rname(r148f) = '148f' rname(r150f) = '150f' rname(r151f) = '151f' rname(r152f) = '152f' rname(r153f) = '153f' rname(r154f) = '154f' rname(r155f) = '155f' rname(r156f) = '156f' rname(r158f) = '158f' rname(r159f) = '159f' rname(r162f) = '162f' rname(r163f) = '163f' rname(r164f) = '164f' rname(r165f) = '165f' rname(r166f) = '166f' rname(r167f) = '167f' rname(r168f) = '168f' rname(r169f) = '169f' rname(r170f) = '170f' rname(r171f) = '171f' rname(r172f) = '172f' rname(r173f) = '173f' rname(r174f) = '174f' rname(r175f) = '175f' rname(r176f) = '176f' rname(r178f) = '178f' rname(r179f) = '179f' rname(r180f) = '180f' rname(r181f) = '181f' rname(r182f) = '182f' rname(r183f) = '183f' rname(r184f) = '184f' rname(r185f) = '185f' rname(r186f) = '186f' rname(r187f) = '187f' rname(r188f) = '188f' rname(r189f) = '189f' rname(r190f) = '190f' rname(r191f) = '191f' rname(r192f) = '192f' rname(r193f) = '193f' rname(r194f) = '194f' rname(r195f) = '195f' rname(r196f) = '196f' rname(r197f) = '197f' rname(r198f) = '198f' rname(r199f) = '199f' rname(r200f) = '200f' rname(r201f) = '201f' rname(r202f) = '202f' rname(r203f) = '203f' rname(r204f) = '204f' rname(r205f) = '205f' rname(r206f) = '206f' rname(r207f) = '207f' rname(r208) = '208' rname(r209) = '209' rname(r210) = '210' rname(r211) = '211' rname(r212) = '212' rname(r213) = '213' rname(r215) = '215' rname(r216) = '216' rname(r217) = '217' rname(r218) = '218' rname(r220) = '220' rname(r222) = '222' rname(r224) = '224' rname(r225) = '225' rname(r226) = '226' rname(r227) = '227' rname(r229) = '229' rname(r231) = '231' rname(r232) = '232' rname(r233) = '233' rname(r234) = '234' rname(r235) = '235' rname(r236) = '236' rname(r237) = '237' rname(r238) = '238' rname(r239) = '239' rname(r240) = '240' rname(r241) = '241' rname(r242) = '242' rname(r243) = '243' rname(r244) = '244' rname(r245) = '245' rname(r246) = '246' rname(r247) = '247' rname(r248) = '248' rname(r249) = '249' rname(r250) = '250' rname(r251) = '251' rname(r252) = '252' rname(r253) = '253' rname(r254) = '254' rname(r255) = '255' rname(r256) = '256' rname(r257) = '257' rname(r258) = '258' rname(r259) = '259' rname(r260) = '260' rname(r261) = '261' rname(r262) = '262' rname(r263) = '263' rname(r264) = '264' rname(r266) = '266' rname(r267) = '267' rname(r268) = '268' rname(r269) = '269' rname(r270) = '270' rname(r271) = '271' rname(r272) = '272' rname(r273) = '273' rname(r274) = '274' rname(r275) = '275' rname(r276) = '276' rname(r277) = '277' rname(r278) = '278' rname(r279) = '279' rname(r280) = '280' rname(r281) = '281' rname(r282) = '282' rname(r283) = '283' rname(r284) = '284' rname(r285) = '285' rname(r286) = '286' rname(r287) = '287' rname(r288) = '288' rname(r289) = '289' rname(r290) = '290' rname(r291) = '291' rname(r292) = '292' rname(r293) = '293' rname(r294) = '294' rname(r295) = '295' rname(r296) = '296' rname(r297) = '297' rname(r298) = '298' rname(r299) = '299' rname(r300) = '300' rname(r301) = '301' rname(r302) = '302' rname(r303) = '303' rname(r304) = '304' rname(r305) = '305' rname(r306) = '306' rname(r307) = '307' rname(r308) = '308' rname(r309) = '309' rname(r310) = '310' rname(r311) = '311' rname(r312) = '312' rname(r313) = '313' rname(r314) = '314' rname(r315) = '315' rname(r316) = '316' rname(r318) = '318' rname(r319) = '319' rname(r320) = '320' rname(r321) = '321' rname(r322) = '322' rname(r323) = '323' rname(r325) = '325' rname(r326) = '326' rname(r327) = '327' rname(r328) = '328' rname(r329) = '329' rname(r330) = '330' rname(r331) = '331' rname(r332f) = '332f' rname(r333) = '333' rname(r334) = '334' rname(r336) = '336' rname(r337) = '337' rname(r338) = '338' rname(r339) = '339' rname(r340) = '340' rname(r1b) = '1b' rname(r2b) = '2b' rname(r3b) = '3b' rname(r4b) = '4b' rname(r5b) = '5b' rname(r6b) = '6b' rname(r7b) = '7b' rname(r8b) = '8b' rname(r9b) = '9b' rname(r10b) = '10b' rname(r11b) = '11b' rname(r12b) = '12b' rname(r13b) = '13b' rname(r14b) = '14b' rname(r15b) = '15b' rname(r16b) = '16b' rname(r17b) = '17b' rname(r18b) = '18b' rname(r19b) = '19b' rname(r20b) = '20b' rname(r21b) = '21b' rname(r22b) = '22b' rname(r23b) = '23b' rname(r24b) = '24b' rname(r25b) = '25b' rname(r26b) = '26b' rname(r27b) = '27b' rname(r28b) = '28b' rname(r29b) = '29b' rname(r30b) = '30b' rname(r31b) = '31b' rname(r32b) = '32b' rname(r33b) = '33b' rname(r34b) = '34b' rname(r35b) = '35b' rname(r36b) = '36b' rname(r38b) = '38b' rname(r40b) = '40b' rname(r41b) = '41b' rname(r42b) = '42b' rname(r43b) = '43b' rname(r44b) = '44b' rname(r45b) = '45b' rname(r46b) = '46b' rname(r47b) = '47b' rname(r48b) = '48b' rname(r49b) = '49b' rname(r50b) = '50b' rname(r52b) = '52b' rname(r53b) = '53b' rname(r54b) = '54b' rname(r55b) = '55b' rname(r56b) = '56b' rname(r57b) = '57b' rname(r58b) = '58b' rname(r59b) = '59b' rname(r60b) = '60b' rname(r61b) = '61b' rname(r62b) = '62b' rname(r63b) = '63b' rname(r64b) = '64b' rname(r65b) = '65b' rname(r66b) = '66b' rname(r67b) = '67b' rname(r68b) = '68b' rname(r69b) = '69b' rname(r70b) = '70b' rname(r71b) = '71b' rname(r72b) = '72b' rname(r73b) = '73b' rname(r74b) = '74b' rname(r75b) = '75b' rname(r76b) = '76b' rname(r77b) = '77b' rname(r78b) = '78b' rname(r79b) = '79b' rname(r80b) = '80b' rname(r81b) = '81b' rname(r82b) = '82b' rname(r83b) = '83b' rname(r84b) = '84b' rname(r85b) = '85b' rname(r86b) = '86b' rname(r87b) = '87b' rname(r88b) = '88b' rname(r89b) = '89b' rname(r90b) = '90b' rname(r91b) = '91b' rname(r92b) = '92b' rname(r93b) = '93b' rname(r94b) = '94b' rname(r95b) = '95b' rname(r96b) = '96b' rname(r97b) = '97b' rname(r98b) = '98b' rname(r99b) = '99b' rname(r100b) = '100b' rname(r101b) = '101b' rname(r102b) = '102b' rname(r103b) = '103b' rname(r104b) = '104b' rname(r105b) = '105b' rname(r106b) = '106b' rname(r107b) = '107b' rname(r108b) = '108b' rname(r109b) = '109b' rname(r110b) = '110b' rname(r111b) = '111b' rname(r112b) = '112b' rname(r113b) = '113b' rname(r114b) = '114b' rname(r115b) = '115b' rname(r116b) = '116b' rname(r118b) = '118b' rname(r119b) = '119b' rname(r120b) = '120b' rname(r121b) = '121b' rname(r122b) = '122b' rname(r123b) = '123b' rname(r124b) = '124b' rname(r126b) = '126b' rname(r127b) = '127b' rname(r128b) = '128b' rname(r129b) = '129b' rname(r130b) = '130b' rname(r131b) = '131b' rname(r132b) = '132b' rname(r133b) = '133b' rname(r134b) = '134b' rname(r135b) = '135b' rname(r136b) = '136b' rname(r137b) = '137b' rname(r138b) = '138b' rname(r139b) = '139b' rname(r140b) = '140b' rname(r141b) = '141b' rname(r142b) = '142b' rname(r143b) = '143b' rname(r144b) = '144b' rname(r145b) = '145b' rname(r146b) = '146b' rname(r147b) = '147b' rname(r148b) = '148b' rname(r150b) = '150b' rname(r151b) = '151b' rname(r152b) = '152b' rname(r153b) = '153b' rname(r154b) = '154b' rname(r155b) = '155b' rname(r156b) = '156b' rname(r158b) = '158b' rname(r159b) = '159b' rname(r162b) = '162b' rname(r163b) = '163b' rname(r164b) = '164b' rname(r165b) = '165b' rname(r166b) = '166b' rname(r167b) = '167b' rname(r168b) = '168b' rname(r169b) = '169b' rname(r170b) = '170b' rname(r171b) = '171b' rname(r172b) = '172b' rname(r173b) = '173b' rname(r174b) = '174b' rname(r175b) = '175b' rname(r176b) = '176b' rname(r178b) = '178b' rname(r179b) = '179b' rname(r180b) = '180b' rname(r181b) = '181b' rname(r182b) = '182b' rname(r183b) = '183b' rname(r184b) = '184b' rname(r185b) = '185b' rname(r186b) = '186b' rname(r187b) = '187b' rname(r188b) = '188b' rname(r189b) = '189b' rname(r190b) = '190b' rname(r191b) = '191b' rname(r192b) = '192b' rname(r193b) = '193b' rname(r194b) = '194b' rname(r195b) = '195b' rname(r196b) = '196b' rname(r197b) = '197b' rname(r198b) = '198b' rname(r199b) = '199b' rname(r200b) = '200b' rname(r201b) = '201b' rname(r202b) = '202b' rname(r203b) = '203b' rname(r204b) = '204b' rname(r205b) = '205b' rname(r206b) = '206b' rname(r207b) = '207b' rname(r332b) = '332b' end subroutine reaction_name ! List of QSS species subroutine QSS_list implicit none iqss(sN2) = 0 iqss(sH) = 0 iqss(sH2) = 0 iqss(sO) = 0 iqss(sO2) = 0 iqss(sOH) = 0 iqss(sH2O) = 0 iqss(sH2O2) = 0 iqss(sHO2) = 0 iqss(sCH) = 1 iqss(sCO) = 0 iqss(sHCO) = 1 iqss(sCH2O) = 0 iqss(sCH2) = 1 iqss(sCH3) = 0 iqss(sCO2) = 0 iqss(sCH2DXCH2) = 1 iqss(sCH3O) = 1 iqss(sCH4) = 0 iqss(sC2H4) = 0 iqss(sC2H5) = 1 iqss(sC2H6) = 0 iqss(sC2H3) = 1 iqss(sCH2CO) = 0 iqss(sHCCO) = 1 iqss(sC2H2) = 0 iqss(sAXXC3H5) = 1 iqss(sCH2CHO) = 1 iqss(sC3H6) = 0 iqss(sIXXC4H8) = 0 iqss(sC5H6) = 0 iqss(sC6H5) = 1 iqss(sC6H5CH3) = 0 iqss(sC6H6) = 0 iqss(sC6H5O) = 0 iqss(sC6H4O2) = 0 iqss(sPOSF10325XC11H22) = 0 iqss(sN) = 1 iqss(sNO) = 0 iqss(sNCO) = 1 iqss(sH2CN) = 1 iqss(sCN) = 1 iqss(sNH) = 1 iqss(sHCN) = 0 iqss(sHNO) = 1 iqss(sNO2) = 0 end subroutine QSS_list ! Subroutine for pressure dependent coefficients real(pr) function getlindratecoeff (Tloc,k0,kinf,fc,concin,Ploc) implicit none real(pr) :: Tloc,k0,kinf,fc,Ploc real(pr), parameter :: R = 8.31434_pr real(pr) :: ntmp,ccoeff,dcoeff,lgknull real(pr) :: f real(pr) :: conc, concin if (concin.gt.0.0_pr) then conc = concin else conc = Ploc / ( R * Tloc ) end if ntmp = 0.75_pr - 1.27_pr * dlog10( fc ) ccoeff = - 0.4_pr - 0.67_pr * dlog10( fc ) dcoeff = 0.14_pr k0 = k0 * conc / max(kinf, 1.0e-60_pr) lgknull = dlog10(k0) f = (lgknull+ccoeff)/(ntmp-dcoeff*(lgknull+ccoeff)) f = fc**(1.0_pr / ( f * f + 1.0_pr )) getlindratecoeff = kinf * f * k0 / ( 1.0_pr + k0 ) end function getlindratecoeff subroutine YtoC(c,P,T,Y) implicit none real(pr), dimension(nspec) :: c,Y real(pr) :: bla, P, T integer :: K call molar_mass c(sN2) = Y(sN2) / W_sp(sN2) c(sH) = Y(sH) / W_sp(sH) c(sH2) = Y(sH2) / W_sp(sH2) c(sO) = Y(sO) / W_sp(sO) c(sO2) = Y(sO2) / W_sp(sO2) c(sOH) = Y(sOH) / W_sp(sOH) c(sH2O) = Y(sH2O) / W_sp(sH2O) c(sH2O2) = Y(sH2O2) / W_sp(sH2O2) c(sHO2) = Y(sHO2) / W_sp(sHO2) !c(sCH) = Y(sCH) / W_sp(sCH) c(sCO) = Y(sCO) / W_sp(sCO) !c(sHCO) = Y(sHCO) / W_sp(sHCO) c(sCH2O) = Y(sCH2O) / W_sp(sCH2O) !c(sCH2) = Y(sCH2) / W_sp(sCH2) c(sCH3) = Y(sCH3) / W_sp(sCH3) c(sCO2) = Y(sCO2) / W_sp(sCO2) !c(sCH2DXCH2) = Y(sCH2DXCH2) / W_sp(sCH2DXCH2) !c(sCH3O) = Y(sCH3O) / W_sp(sCH3O) c(sCH4) = Y(sCH4) / W_sp(sCH4) c(sC2H4) = Y(sC2H4) / W_sp(sC2H4) !c(sC2H5) = Y(sC2H5) / W_sp(sC2H5) c(sC2H6) = Y(sC2H6) / W_sp(sC2H6) !c(sC2H3) = Y(sC2H3) / W_sp(sC2H3) c(sCH2CO) = Y(sCH2CO) / W_sp(sCH2CO) !c(sHCCO) = Y(sHCCO) / W_sp(sHCCO) c(sC2H2) = Y(sC2H2) / W_sp(sC2H2) !c(sAXXC3H5) = Y(sAXXC3H5) / W_sp(sAXXC3H5) !c(sCH2CHO) = Y(sCH2CHO) / W_sp(sCH2CHO) c(sC3H6) = Y(sC3H6) / W_sp(sC3H6) c(sIXXC4H8) = Y(sIXXC4H8) / W_sp(sIXXC4H8) c(sC5H6) = Y(sC5H6) / W_sp(sC5H6) !c(sC6H5) = Y(sC6H5) / W_sp(sC6H5) c(sC6H5CH3) = Y(sC6H5CH3) / W_sp(sC6H5CH3) c(sC6H6) = Y(sC6H6) / W_sp(sC6H6) c(sC6H5O) = Y(sC6H5O) / W_sp(sC6H5O) c(sC6H4O2) = Y(sC6H4O2) / W_sp(sC6H4O2) c(sPOSF10325XC11H22) = Y(sPOSF10325XC11H22) & / W_sp(sPOSF10325XC11H22) !c(sN) = Y(sN) / W_sp(sN) c(sNO) = Y(sNO) / W_sp(sNO) !c(sNCO) = Y(sNCO) / W_sp(sNCO) !c(sH2CN) = Y(sH2CN) / W_sp(sH2CN) !c(sCN) = Y(sCN) / W_sp(sCN) !c(sNH) = Y(sNH) / W_sp(sNH) c(sHCN) = Y(sHCN) / W_sp(sHCN) !c(sHNO) = Y(sHNO) / W_sp(sHNO) c(sNO2) = Y(sNO2) / W_sp(sNO2) bla = 0.0_pr DO K = 1, nspec bla = bla + c(K) ENDDO bla = P/(bla*T*8.31451_pr) DO K = 1, nspec c(K) = max(c(K),1.0e-60_pr) * bla ENDDO C2H5_subs = min( c(sC3H6)/50.0_pr , c(sC5H6)/20.0_pr ) C2H5_subs = min( C2H5_subs, 0.00001_pr ) end subroutine YtoC ! Subroutine for Cp and H computations subroutine compute_thermodata(H,Cp,dH,T) implicit none real(pr), dimension(nspec + nqss) :: H,Cp,dH real(pr) :: T if (T.gt.1000_pr) then H(sN2) = 296.716630977873 * ( T * ((2.92664000e+00_pr)& + T *((0.0007439884_pr)& + T *((-1.89492e-07_pr)& + T *((2.5242595e-11_pr)& + T *((-1.3506702e-15_pr)))))) + (-9.22797700e+02_pr)) Cp(sN2) = 296.716630977873 * ((2.92664000e+00_pr)& + T *((1.48797680e-03_pr)& + T *((-5.68476000e-07_pr)& + T *((1.00970380e-10_pr)& + T *(-6.75335100e-15_pr))))) dH(sN2) = 296.716630977873 * ( (2.92664000e+00_pr)& + T *((1.48797680e-03_pr)& + T *((-5.68476000e-07_pr)& + T *((1.00970380e-10_pr)& + T *((-6.75335100e-15_pr))))) ) H(sH) = 8248.01587301587 * ( T * ((2.50000001e+00_pr)& + T *((-1.154214865e-11_pr)& + T *((5.38539826666667e-15_pr)& + T *((-1.1837880875e-18_pr)& + T *((9.96394714e-23_pr)))))) + (2.54736599e+04_pr)) Cp(sH) = 8248.01587301587 * ((2.50000001e+00_pr)& + T *((-2.30842973e-11_pr)& + T *((1.61561948e-14_pr)& + T *((-4.73515235e-18_pr)& + T *(4.98197357e-22_pr))))) dH(sH) = 8248.01587301587 * ( (2.50000001e+00_pr)& + T *((-2.30842973e-11_pr)& + T *((1.61561948e-14_pr)& + T *((-4.73515235e-18_pr)& + T *((4.98197357e-22_pr))))) ) H(sH2) = 4124.00793650794 * ( T * ((3.33727920e+00_pr)& + T *((-2.470123655e-05_pr)& + T *((1.66485592666667e-07_pr)& + T *((-4.48915985e-11_pr)& + T *((4.00510752e-15_pr)))))) + (-9.50158922e+02_pr)) Cp(sH2) = 4124.00793650794 * ((3.33727920e+00_pr)& + T *((-4.94024731e-05_pr)& + T *((4.99456778e-07_pr)& + T *((-1.79566394e-10_pr)& + T *(2.00255376e-14_pr))))) dH(sH2) = 4124.00793650794 * ( (3.33727920e+00_pr)& + T *((-4.94024731e-05_pr)& + T *((4.99456778e-07_pr)& + T *((-1.79566394e-10_pr)& + T *((2.00255376e-14_pr))))) ) H(sO) = 519.625 * ( T * ((2.56942078e+00_pr)& + T *((-4.298705685e-05_pr)& + T *((1.39828196333333e-08_pr)& + T *((-2.504444975e-12_pr)& + T *((2.45667382e-16_pr)))))) + (2.92175791e+04_pr)) Cp(sO) = 519.625 * ((2.56942078e+00_pr)& + T *((-8.59741137e-05_pr)& + T *((4.19484589e-08_pr)& + T *((-1.00177799e-11_pr)& + T *(1.22833691e-15_pr))))) dH(sO) = 519.625 * ( (2.56942078e+00_pr)& + T *((-8.59741137e-05_pr)& + T *((4.19484589e-08_pr)& + T *((-1.00177799e-11_pr)& + T *((1.22833691e-15_pr))))) ) H(sO2) = 259.8125 * ( T * ((3.28253784e+00_pr)& + T *((0.00074154377_pr)& + T *((-2.52655556333333e-07_pr)& + T *((5.236763875e-11_pr)& + T *((-4.33435588e-15_pr)))))) + (-1.08845772e+03_pr)) Cp(sO2) = 259.8125 * ((3.28253784e+00_pr)& + T *((1.48308754e-03_pr)& + T *((-7.57966669e-07_pr)& + T *((2.09470555e-10_pr)& + T *(-2.16717794e-14_pr))))) dH(sO2) = 259.8125 * ( (3.28253784e+00_pr)& + T *((1.48308754e-03_pr)& + T *((-7.57966669e-07_pr)& + T *((2.09470555e-10_pr)& + T *((-2.16717794e-14_pr))))) ) H(sOH) = 488.828786453434 * ( T * ((2.86472886e+00_pr)& + T *((0.00052825224_pr)& + T *((-8.63609193333333e-08_pr)& + T *((7.63046685e-12_pr)& + T *((-2.66391752e-16_pr)))))) + (3.71885774e+03_pr)) Cp(sOH) = 488.828786453434 * ((2.86472886e+00_pr)& + T *((1.05650448e-03_pr)& + T *((-2.59082758e-07_pr)& + T *((3.05218674e-11_pr)& + T *(-1.33195876e-15_pr))))) dH(sOH) = 488.828786453434 * ( (2.86472886e+00_pr)& + T *((1.05650448e-03_pr)& + T *((-2.59082758e-07_pr)& + T *((3.05218674e-11_pr)& + T *((-1.33195876e-15_pr))))) ) H(sH2O) = 461.478685612789 * ( T * ((3.03399249e+00_pr)& + T *((0.00108845902_pr)& + T *((-5.46908393333333e-08_pr)& + T *((-2.426049675e-11_pr)& + T *((3.36401984e-15_pr)))))) + (-3.00042971e+04_pr)) Cp(sH2O) = 461.478685612789 * ((3.03399249e+00_pr)& + T *((2.17691804e-03_pr)& + T *((-1.64072518e-07_pr)& + T *((-9.70419870e-11_pr)& + T *(1.68200992e-14_pr))))) dH(sH2O) = 461.478685612789 * ( (3.03399249e+00_pr)& + T *((2.17691804e-03_pr)& + T *((-1.64072518e-07_pr)& + T *((-9.70419870e-11_pr)& + T *((1.68200992e-14_pr))))) ) H(sH2O2) = 244.414393226717 * ( T * ((4.16500285e+00_pr)& + T *((0.00245415847_pr)& + T *((-6.33797416666667e-07_pr)& + T *((9.27964965e-11_pr)& + T *((-5.7581661e-15_pr)))))) + (-1.78617877e+04_pr)) Cp(sH2O2) = 244.414393226717 * ((4.16500285e+00_pr)& + T *((4.90831694e-03_pr)& + T *((-1.90139225e-06_pr)& + T *((3.71185986e-10_pr)& + T *(-2.87908305e-14_pr))))) dH(sH2O2) = 244.414393226717 * ( (4.16500285e+00_pr)& + T *((4.90831694e-03_pr)& + T *((-1.90139225e-06_pr)& + T *((3.71185986e-10_pr)& + T *((-2.87908305e-14_pr))))) ) H(sHO2) = 251.878332525448 * ( T * ((4.01721090e+00_pr)& + T *((0.001119910065_pr)& + T *((-2.11219383333333e-07_pr)& + T *((2.85615925e-11_pr)& + T *((-2.1581707e-15_pr)))))) + (1.11856713e+02_pr)) Cp(sHO2) = 251.878332525448 * ((4.01721090e+00_pr)& + T *((2.23982013e-03_pr)& + T *((-6.33658150e-07_pr)& + T *((1.14246370e-10_pr)& + T *(-1.07908535e-14_pr))))) dH(sHO2) = 251.878332525448 * ( (4.01721090e+00_pr)& + T *((2.23982013e-03_pr)& + T *((-6.33658150e-07_pr)& + T *((1.14246370e-10_pr)& + T *((-1.07908535e-14_pr))))) ) H(sCH) = 638.654171147642 * ( T * ((2.87846473e+00_pr)& + T *((0.0004854568405_pr)& + T *((4.81485516666667e-08_pr)& + T *((-3.267196225e-11_pr)& + T *((3.52158766e-15_pr)))))) + (7.10124364e+04_pr)) Cp(sCH) = 638.654171147642 * ((2.87846473e+00_pr)& + T *((9.70913681e-04_pr)& + T *((1.44445655e-07_pr)& + T *((-1.30687849e-10_pr)& + T *(1.76079383e-14_pr))))) dH(sCH) = 638.654171147642 * ( (2.87846473e+00_pr)& + T *((9.70913681e-04_pr)& + T *((1.44445655e-07_pr)& + T *((-1.30687849e-10_pr)& + T *((1.76079383e-14_pr))))) ) H(sCO) = 296.822563370225 * ( T * ((2.71518561e+00_pr)& + T *((0.001031263715_pr)& + T *((-3.32941923666667e-07_pr)& + T *((5.7513252e-11_pr)& + T *((-4.07295432e-15_pr)))))) + (-1.41518724e+04_pr)) Cp(sCO) = 296.822563370225 * ((2.71518561e+00_pr)& + T *((2.06252743e-03_pr)& + T *((-9.98825771e-07_pr)& + T *((2.30053008e-10_pr)& + T *(-2.03647716e-14_pr))))) dH(sCO) = 296.822563370225 * ( (2.71518561e+00_pr)& + T *((2.06252743e-03_pr)& + T *((-9.98825771e-07_pr)& + T *((2.30053008e-10_pr)& + T *((-2.03647716e-14_pr))))) ) H(sHCO) = 286.5118202495 * ( T * ((2.77217438e+00_pr)& + T *((0.00247847763_pr)& + T *((-8.28152043333333e-07_pr)& + T *((1.472904445e-10_pr)& + T *((-1.067017422e-14_pr)))))) + (4.01191815e+03_pr)) Cp(sHCO) = 286.5118202495 * ((2.77217438e+00_pr)& + T *((4.95695526e-03_pr)& + T *((-2.48445613e-06_pr)& + T *((5.89161778e-10_pr)& + T *(-5.33508711e-14_pr))))) dH(sHCO) = 286.5118202495 * ( (2.77217438e+00_pr)& + T *((4.95695526e-03_pr)& + T *((-2.48445613e-06_pr)& + T *((5.89161778e-10_pr)& + T *((-5.33508711e-14_pr))))) ) H(sCH2O) = 276.89335908879 * ( T * ((1.76069008e+00_pr)& + T *((0.00460000041_pr)& + T *((-1.47419604333333e-06_pr)& + T *((2.5160303e-10_pr)& + T *((-1.76771128e-14_pr)))))) + (-1.39958323e+04_pr)) Cp(sCH2O) = 276.89335908879 * ((1.76069008e+00_pr)& + T *((9.20000082e-03_pr)& + T *((-4.42258813e-06_pr)& + T *((1.00641212e-09_pr)& + T *(-8.83855640e-14_pr))))) dH(sCH2O) = 276.89335908879 * ( (1.76069008e+00_pr)& + T *((9.20000082e-03_pr)& + T *((-4.42258813e-06_pr)& + T *((1.00641212e-09_pr)& + T *((-8.83855640e-14_pr))))) ) H(sCH2) = 592.756309710538 * ( T * ((2.87410113e+00_pr)& + T *((0.00182819646_pr)& + T *((-4.69648656666667e-07_pr)& + T *((6.504488725e-11_pr)& + T *((-3.75455134e-15_pr)))))) + (4.62636040e+04_pr)) Cp(sCH2) = 592.756309710538 * ((2.87410113e+00_pr)& + T *((3.65639292e-03_pr)& + T *((-1.40894597e-06_pr)& + T *((2.60179549e-10_pr)& + T *(-1.87727567e-14_pr))))) dH(sCH2) = 592.756309710538 * ( (2.87410113e+00_pr)& + T *((3.65639292e-03_pr)& + T *((-1.40894597e-06_pr)& + T *((2.60179549e-10_pr)& + T *((-1.87727567e-14_pr))))) ) H(sCH3) = 553.013170147665 * ( T * ((2.28571772e+00_pr)& + T *((0.003619950185_pr)& + T *((-9.95714493333333e-07_pr)& + T *((1.48921161e-10_pr)& + T *((-9.34308788e-15_pr)))))) + (1.67755843e+04_pr)) Cp(sCH3) = 553.013170147665 * ((2.28571772e+00_pr)& + T *((7.23990037e-03_pr)& + T *((-2.98714348e-06_pr)& + T *((5.95684644e-10_pr)& + T *(-4.67154394e-14_pr))))) dH(sCH3) = 553.013170147665 * ( (2.28571772e+00_pr)& + T *((7.23990037e-03_pr)& + T *((-2.98714348e-06_pr)& + T *((5.95684644e-10_pr)& + T *((-4.67154394e-14_pr))))) ) H(sCO2) = 188.911610997501 * ( T * ((3.85746029e+00_pr)& + T *((0.00220718513_pr)& + T *((-7.38271346666667e-07_pr)& + T *((1.30872547e-10_pr)& + T *((-9.44168328e-15_pr)))))) + (-4.87591660e+04_pr)) Cp(sCO2) = 188.911610997501 * ((3.85746029e+00_pr)& + T *((4.41437026e-03_pr)& + T *((-2.21481404e-06_pr)& + T *((5.23490188e-10_pr)& + T *(-4.72084164e-14_pr))))) dH(sCO2) = 188.911610997501 * ( (3.85746029e+00_pr)& + T *((4.41437026e-03_pr)& + T *((-2.21481404e-06_pr)& + T *((5.23490188e-10_pr)& + T *((-4.72084164e-14_pr))))) ) H(sCH2DXCH2) = 592.756309710538 * ( T * ((2.29203842e+00_pr)& + T *((0.002327943185_pr)& + T *((-6.70639823333333e-07_pr)& + T *((1.044765e-10_pr)& + T *((-6.7943273e-15_pr)))))) + (5.09259997e+04_pr)) Cp(sCH2DXCH2) = 592.756309710538 * ((2.29203842e+00_pr)& + T *((4.65588637e-03_pr)& + T *((-2.01191947e-06_pr)& + T *((4.17906000e-10_pr)& + T *(-3.39716365e-14_pr))))) dH(sCH2DXCH2) = 592.756309710538 * ( (2.29203842e+00_pr)& + T *((4.65588637e-03_pr)& + T *((-2.01191947e-06_pr)& + T *((4.17906000e-10_pr)& + T *((-3.39716365e-14_pr))))) ) H(sCH3O) = 267.899722884578 * ( T * ((4.75779238e+00_pr)& + T *((0.00372071237_pr)& + T *((-8.99017253333333e-07_pr)& + T *((1.09522626e-10_pr)& + T *((-5.27074196e-15_pr)))))) + (3.78111940e+02_pr)) Cp(sCH3O) = 267.899722884578 * ((4.75779238e+00_pr)& + T *((7.44142474e-03_pr)& + T *((-2.69705176e-06_pr)& + T *((4.38090504e-10_pr)& + T *(-2.63537098e-14_pr))))) dH(sCH3O) = 267.899722884578 * ( (4.75779238e+00_pr)& + T *((7.44142474e-03_pr)& + T *((-2.69705176e-06_pr)& + T *((4.38090504e-10_pr)& + T *((-2.63537098e-14_pr))))) ) H(sCH4) = 518.264555541703 * ( T * ((7.48514950e-02_pr)& + T *((0.00669547335_pr)& + T *((-1.91095269666667e-06_pr)& + T *((3.057313375e-10_pr)& + T *((-2.0363046e-14_pr)))))) + (-9.46834459e+03_pr)) Cp(sCH4) = 518.264555541703 * ((7.48514950e-02_pr)& + T *((1.33909467e-02_pr)& + T *((-5.73285809e-06_pr)& + T *((1.22292535e-09_pr)& + T *(-1.01815230e-13_pr))))) dH(sCH4) = 518.264555541703 * ( (7.48514950e-02_pr)& + T *((1.33909467e-02_pr)& + T *((-5.73285809e-06_pr)& + T *((1.22292535e-09_pr)& + T *((-1.01815230e-13_pr))))) ) H(sC2H4) = 296.378154855269 * ( T * ((2.03611116e+00_pr)& + T *((0.00732270755_pr)& + T *((-2.23692638333333e-06_pr)& + T *((3.680573075e-10_pr)& + T *((-2.51412122e-14_pr)))))) + (4.93988614e+03_pr)) Cp(sC2H4) = 296.378154855269 * ((2.03611116e+00_pr)& + T *((1.46454151e-02_pr)& + T *((-6.71077915e-06_pr)& + T *((1.47222923e-09_pr)& + T *(-1.25706061e-13_pr))))) dH(sC2H4) = 296.378154855269 * ( (2.03611116e+00_pr)& + T *((1.46454151e-02_pr)& + T *((-6.71077915e-06_pr)& + T *((1.47222923e-09_pr)& + T *((-1.25706061e-13_pr))))) ) H(sC2H5) = 286.097728836889 * ( T * ((1.95465642e+00_pr)& + T *((0.0086986361_pr)& + T *((-2.66068889333333e-06_pr)& + T *((4.380442225e-10_pr)& + T *((-2.99283152e-14_pr)))))) + (1.28575200e+04_pr)) Cp(sC2H5) = 286.097728836889 * ((1.95465642e+00_pr)& + T *((1.73972722e-02_pr)& + T *((-7.98206668e-06_pr)& + T *((1.75217689e-09_pr)& + T *(-1.49641576e-13_pr))))) dH(sC2H5) = 286.097728836889 * ( (1.95465642e+00_pr)& + T *((1.73972722e-02_pr)& + T *((-7.98206668e-06_pr)& + T *((1.75217689e-09_pr)& + T *((-1.49641576e-13_pr))))) ) H(sC2H6) = 276.506585073833 * ( T * ((1.07188150e+00_pr)& + T *((0.01084263385_pr)& + T *((-3.3418689e-06_pr)& + T *((5.535300025e-10_pr)& + T *((-3.8000578e-14_pr)))))) + (-1.14263932e+04_pr)) Cp(sC2H6) = 276.506585073833 * ((1.07188150e+00_pr)& + T *((2.16852677e-02_pr)& + T *((-1.00256067e-05_pr)& + T *((2.21412001e-09_pr)& + T *(-1.90002890e-13_pr))))) dH(sC2H6) = 276.506585073833 * ( (1.07188150e+00_pr)& + T *((2.16852677e-02_pr)& + T *((-1.00256067e-05_pr)& + T *((2.21412001e-09_pr)& + T *((-1.90002890e-13_pr))))) ) H(sC2H3) = 307.424937139476 * ( T * ((3.01672400e+00_pr)& + T *((0.0051651146_pr)& + T *((-1.56027449666667e-06_pr)& + T *((2.5440822e-10_pr)& + T *((-1.725214082e-14_pr)))))) + (3.46128739e+04_pr)) Cp(sC2H3) = 307.424937139476 * ((3.01672400e+00_pr)& + T *((1.03302292e-02_pr)& + T *((-4.68082349e-06_pr)& + T *((1.01763288e-09_pr)& + T *(-8.62607041e-14_pr))))) dH(sC2H3) = 307.424937139476 * ( (3.01672400e+00_pr)& + T *((1.03302292e-02_pr)& + T *((-4.68082349e-06_pr)& + T *((1.01763288e-09_pr)& + T *((-8.62607041e-14_pr))))) ) H(sCH2CO) = 197.782852792844 * ( T * ((4.51129732e+00_pr)& + T *((0.004501798725_pr)& + T *((-1.38979878333333e-06_pr)& + T *((2.308364705e-10_pr)& + T *((-1.589676402e-14_pr)))))) + (-7.77850000e+03_pr)) Cp(sCH2CO) = 197.782852792844 * ((4.51129732e+00_pr)& + T *((9.00359745e-03_pr)& + T *((-4.16939635e-06_pr)& + T *((9.23345882e-10_pr)& + T *(-7.94838201e-14_pr))))) dH(sCH2CO) = 197.782852792844 * ( (4.51129732e+00_pr)& + T *((9.00359745e-03_pr)& + T *((-4.16939635e-06_pr)& + T *((9.23345882e-10_pr)& + T *((-7.94838201e-14_pr))))) ) H(sHCCO) = 202.64209807936 * ( T * ((5.62820580e+00_pr)& + T *((0.00204267005_pr)& + T *((-5.31151566666667e-07_pr)& + T *((7.156513e-11_pr)& + T *((-3.8815664e-15_pr)))))) + (1.93272150e+04_pr)) Cp(sHCCO) = 202.64209807936 * ((5.62820580e+00_pr)& + T *((4.08534010e-03_pr)& + T *((-1.59345470e-06_pr)& + T *((2.86260520e-10_pr)& + T *(-1.94078320e-14_pr))))) dH(sHCCO) = 202.64209807936 * ( (5.62820580e+00_pr)& + T *((4.08534010e-03_pr)& + T *((-1.59345470e-06_pr)& + T *((2.86260520e-10_pr)& + T *((-1.94078320e-14_pr))))) ) H(sC2H2) = 319.327085573821 * ( T * ((4.14756964e+00_pr)& + T *((0.00298083332_pr)& + T *((-7.9098284e-07_pr)& + T *((1.1685304275e-10_pr)& + T *((-7.22470426e-15_pr)))))) + (2.59359992e+04_pr)) Cp(sC2H2) = 319.327085573821 * ((4.14756964e+00_pr)& + T *((5.96166664e-03_pr)& + T *((-2.37294852e-06_pr)& + T *((4.67412171e-10_pr)& + T *(-3.61235213e-14_pr))))) dH(sC2H2) = 319.327085573821 * ( (4.14756964e+00_pr)& + T *((5.96166664e-03_pr)& + T *((-2.37294852e-06_pr)& + T *((4.67412171e-10_pr)& + T *((-3.61235213e-14_pr))))) ) H(sAXXC3H5) = 202.434867299732 * ( T * ((6.50078770e+00_pr)& + T *((0.0071623655_pr)& + T *((-1.89272106666667e-06_pr)& + T *((2.77020025e-10_pr)& + T *((-1.80727774e-14_pr)))))) + (1.74824490e+04_pr)) Cp(sAXXC3H5) = 202.434867299732 * ((6.50078770e+00_pr)& + T *((1.43247310e-02_pr)& + T *((-5.67816320e-06_pr)& + T *((1.10808010e-09_pr)& + T *(-9.03638870e-14_pr))))) dH(sAXXC3H5) = 202.434867299732 * ( (6.50078770e+00_pr)& + T *((1.43247310e-02_pr)& + T *((-5.67816320e-06_pr)& + T *((1.10808010e-09_pr)& + T *((-9.03638870e-14_pr))))) ) H(sCH2CHO) = 193.15119412694 * ( T * ((5.97566990e+00_pr)& + T *((0.0040652957_pr)& + T *((-9.145415e-07_pr)& + T *((1.017576025e-10_pr)& + T *((-4.3520342e-15_pr)))))) + (-9.69500000e+02_pr)) Cp(sCH2CHO) = 193.15119412694 * ((5.97566990e+00_pr)& + T *((8.13059140e-03_pr)& + T *((-2.74362450e-06_pr)& + T *((4.07030410e-10_pr)& + T *(-2.17601710e-14_pr))))) dH(sCH2CHO) = 193.15119412694 * ( (5.97566990e+00_pr)& + T *((8.13059140e-03_pr)& + T *((-2.74362450e-06_pr)& + T *((4.07030410e-10_pr)& + T *((-2.17601710e-14_pr))))) ) H(sC3H6) = 197.585436570179 * ( T * ((6.73225700e+00_pr)& + T *((0.00745417_pr)& + T *((-1.64996633333333e-06_pr)& + T *((1.8030055e-10_pr)& + T *((-7.532408e-15_pr)))))) + (-9.23570300e+02_pr)) Cp(sC3H6) = 197.585436570179 * ((6.73225700e+00_pr)& + T *((1.49083400e-02_pr)& + T *((-4.94989900e-06_pr)& + T *((7.21202200e-10_pr)& + T *(-3.76620400e-14_pr))))) dH(sC3H6) = 197.585436570179 * ( (6.73225700e+00_pr)& + T *((1.49083400e-02_pr)& + T *((-4.94989900e-06_pr)& + T *((7.21202200e-10_pr)& + T *((-3.76620400e-14_pr))))) ) H(sIXXC4H8) = 148.189077427634 * ( T * ((4.46094700e+00_pr)& + T *((0.0148057435_pr)& + T *((-4.359043e-06_pr)& + T *((6.6429835e-10_pr)& + T *((-4.0269426e-14_pr)))))) + (-5.00667580e+03_pr)) Cp(sIXXC4H8) = 148.189077427634 * ((4.46094700e+00_pr)& + T *((2.96114870e-02_pr)& + T *((-1.30771290e-05_pr)& + T *((2.65719340e-09_pr)& + T *(-2.01347130e-13_pr))))) dH(sIXXC4H8) = 148.189077427634 * ( (4.46094700e+00_pr)& + T *((2.96114870e-02_pr)& + T *((-1.30771290e-05_pr)& + T *((2.65719340e-09_pr)& + T *((-2.01347130e-13_pr))))) ) H(sC5H6) = 125.782928379073 * ( T * ((9.97578480e+00_pr)& + T *((0.0094527715_pr)& + T *((-2.28038203333333e-06_pr)& + T *((2.774835e-10_pr)& + T *((-1.33360472e-14_pr)))))) + (1.10816930e+04_pr)) Cp(sC5H6) = 125.782928379073 * ((9.97578480e+00_pr)& + T *((1.89055430e-02_pr)& + T *((-6.84114610e-06_pr)& + T *((1.10993400e-09_pr)& + T *(-6.66802360e-14_pr))))) dH(sC5H6) = 125.782928379073 * ( (9.97578480e+00_pr)& + T *((1.89055430e-02_pr)& + T *((-6.84114610e-06_pr)& + T *((1.10993400e-09_pr)& + T *((-6.66802360e-14_pr))))) ) H(sC6H5) = 107.833981841764 * ( T * ((8.59731100e+00_pr)& + T *((0.011120815_pr)& + T *((-2.90666593333333e-06_pr)& + T *((3.44719625e-10_pr)& + T *((-1.06292112e-14_pr)))))) + (3.62610470e+04_pr)) Cp(sC6H5) = 107.833981841764 * ((8.59731100e+00_pr)& + T *((2.22416300e-02_pr)& + T *((-8.71999780e-06_pr)& + T *((1.37887850e-09_pr)& + T *(-5.31460560e-14_pr))))) dH(sC6H5) = 107.833981841764 * ( (8.59731100e+00_pr)& + T *((2.22416300e-02_pr)& + T *((-8.71999780e-06_pr)& + T *((1.37887850e-09_pr)& + T *((-5.31460560e-14_pr))))) ) H(sC6H5CH3) = 90.2381314172835 * ( T * ((1.29400340e+01_pr)& + T *((0.0133456435_pr)& + T *((-3.22795016666667e-06_pr)& + T *((3.93465725e-10_pr)& + T *((-1.89327202e-14_pr)))))) + (-6.97649080e+02_pr)) Cp(sC6H5CH3) = 90.2381314172835 * ((1.29400340e+01_pr)& + T *((2.66912870e-02_pr)& + T *((-9.68385050e-06_pr)& + T *((1.57386290e-09_pr)& + T *(-9.46636010e-14_pr))))) dH(sC6H5CH3) = 90.2381314172835 * ( (1.29400340e+01_pr)& + T *((2.66912870e-02_pr)& + T *((-9.68385050e-06_pr)& + T *((1.57386290e-09_pr)& + T *((-9.46636010e-14_pr))))) ) H(sC6H6) = 106.44236185794 * ( T * ((9.13812450e+00_pr)& + T *((0.0119272165_pr)& + T *((-2.93759086666667e-06_pr)& + T *((3.02475525e-10_pr)& + T *((-3.6443006e-15_pr)))))) + (5.20434620e+03_pr)) Cp(sC6H6) = 106.44236185794 * ((9.13812450e+00_pr)& + T *((2.38544330e-02_pr)& + T *((-8.81277260e-06_pr)& + T *((1.20990210e-09_pr)& + T *(-1.82215030e-14_pr))))) dH(sC6H6) = 106.44236185794 * ( (9.13812450e+00_pr)& + T *((2.38544330e-02_pr)& + T *((-8.81277260e-06_pr)& + T *((1.20990210e-09_pr)& + T *((-1.82215030e-14_pr))))) ) H(sC6H5O) = 89.3018259935553 * ( T * ((1.37221720e+01_pr)& + T *((0.00873443855_pr)& + T *((-2.1183484e-06_pr)& + T *((2.5873077e-10_pr)& + T *((-1.246821008e-14_pr)))))) + (2.87274751e+02_pr)) Cp(sC6H5O) = 89.3018259935553 * ((1.37221720e+01_pr)& + T *((1.74688771e-02_pr)& + T *((-6.35504520e-06_pr)& + T *((1.03492308e-09_pr)& + T *(-6.23410504e-14_pr))))) dH(sC6H5O) = 89.3018259935553 * ( (1.37221720e+01_pr)& + T *((1.74688771e-02_pr)& + T *((-6.35504520e-06_pr)& + T *((1.03492308e-09_pr)& + T *((-6.23410504e-14_pr))))) ) H(sC6H4O2) = 76.9159604781112 * ( T * ((1.17308400e+01_pr)& + T *((0.0118074975_pr)& + T *((-3.41152533333333e-06_pr)& + T *((4.8830435e-10_pr)& + T *((-2.5492044e-14_pr)))))) + (-2.10857700e+04_pr)) Cp(sC6H4O2) = 76.9159604781112 * ((1.17308400e+01_pr)& + T *((2.36149950e-02_pr)& + T *((-1.02345760e-05_pr)& + T *((1.95321740e-09_pr)& + T *(-1.27460220e-13_pr))))) dH(sC6H4O2) = 76.9159604781112 * ( (1.17308400e+01_pr)& + T *((2.36149950e-02_pr)& + T *((-1.02345760e-05_pr)& + T *((1.95321740e-09_pr)& + T *((-1.27460220e-13_pr))))) ) H(sPOSF10325XC11H22) = 53.8869372464125 * ( & T * ((2.32281630e+01_pr)& + T *((0.033094194_pr)& + T *((-8.05283333333333e-06_pr)& + T *((8.96637425e-10_pr)& + T *((-2.0453796e-14_pr)))))) + (-4.87788160e+04_pr)) Cp(sPOSF10325XC11H22) = 53.8869372464125 * & ((2.32281630e+01_pr)& + T *((6.61883880e-02_pr)& + T *((-2.41585000e-05_pr)& + T *((3.58654970e-09_pr)& + T *(-1.02268980e-13_pr))))) dH(sPOSF10325XC11H22) = 53.8869372464125 * & ( (2.32281630e+01_pr)& + T *((6.61883880e-02_pr)& + T *((-2.41585000e-05_pr)& + T *((3.58654970e-09_pr)& + T *((-1.02268980e-13_pr))))) ) H(sN) = 593.433261955746 * ( T * ((2.41594290e+00_pr)& + T *((8.7445325e-05_pr)& + T *((-3.96745633333333e-08_pr)& + T *((7.55656125e-12_pr)& + T *((-4.0721964e-16_pr)))))) + (5.61337730e+04_pr)) Cp(sN) = 593.433261955746 * ((2.41594290e+00_pr)& + T *((1.74890650e-04_pr)& + T *((-1.19023690e-07_pr)& + T *((3.02262450e-11_pr)& + T *(-2.03609820e-15_pr))))) dH(sN) = 593.433261955746 * ( (2.41594290e+00_pr)& + T *((1.74890650e-04_pr)& + T *((-1.19023690e-07_pr)& + T *((3.02262450e-11_pr)& + T *((-2.03609820e-15_pr))))) ) H(sNO) = 277.040986337887 * ( T * ((3.26060560e+00_pr)& + T *((0.00059555215_pr)& + T *((-1.43056826666667e-07_pr)& + T *((1.736441725e-11_pr)& + T *((-8.0672198e-16_pr)))))) + (9.92097460e+03_pr)) Cp(sNO) = 277.040986337887 * ((3.26060560e+00_pr)& + T *((1.19110430e-03_pr)& + T *((-4.29170480e-07_pr)& + T *((6.94576690e-11_pr)& + T *(-4.03360990e-15_pr))))) dH(sNO) = 277.040986337887 * ( (3.26060560e+00_pr)& + T *((1.19110430e-03_pr)& + T *((-4.29170480e-07_pr)& + T *((6.94576690e-11_pr)& + T *((-4.03360990e-15_pr))))) ) H(sNCO) = 197.858162779629 * ( T * ((5.15218450e+00_pr)& + T *((0.00115258805_pr)& + T *((-2.93443843333333e-07_pr)& + T *((3.6972745e-11_pr)& + T *((-1.81955992e-15_pr)))))) + (1.40041230e+04_pr)) Cp(sNCO) = 197.858162779629 * ((5.15218450e+00_pr)& + T *((2.30517610e-03_pr)& + T *((-8.80331530e-07_pr)& + T *((1.47890980e-10_pr)& + T *(-9.09779960e-15_pr))))) dH(sNCO) = 197.858162779629 * ( (5.15218450e+00_pr)& + T *((2.30517610e-03_pr)& + T *((-8.80331530e-07_pr)& + T *((1.47890980e-10_pr)& + T *((-9.09779960e-15_pr))))) ) H(sH2CN) = 296.547296333286 * ( T * ((5.20970300e+00_pr)& + T *((0.00148464555_pr)& + T *((-9.51863033333333e-08_pr)& + T *((-4.088875e-11_pr)& + T *((6.0865178e-15_pr)))))) + (2.76771090e+04_pr)) Cp(sH2CN) = 296.547296333286 * ((5.20970300e+00_pr)& + T *((2.96929110e-03_pr)& + T *((-2.85558910e-07_pr)& + T *((-1.63555000e-10_pr)& + T *(3.04325890e-14_pr))))) dH(sH2CN) = 296.547296333286 * ( (5.20970300e+00_pr)& + T *((2.96929110e-03_pr)& + T *((-2.85558910e-07_pr)& + T *((-1.63555000e-10_pr)& + T *((3.04325890e-14_pr))))) ) H(sCN) = 319.523443504996 * ( T * ((3.74598050e+00_pr)& + T *((2.17253875e-05_pr)& + T *((9.90199466666667e-08_pr)& + T *((-1.71629515e-11_pr)& + T *((8.8268346e-16_pr)))))) + (5.15361880e+04_pr)) Cp(sCN) = 319.523443504996 * ((3.74598050e+00_pr)& + T *((4.34507750e-05_pr)& + T *((2.97059840e-07_pr)& + T *((-6.86518060e-11_pr)& + T *(4.41341730e-15_pr))))) dH(sCN) = 319.523443504996 * ( (3.74598050e+00_pr)& + T *((4.34507750e-05_pr)& + T *((2.97059840e-07_pr)& + T *((-6.86518060e-11_pr)& + T *((4.41341730e-15_pr))))) ) H(sNH) = 553.602343854042 * ( T * ((2.78369280e+00_pr)& + T *((0.0006649215_pr)& + T *((-1.4159349e-07_pr)& + T *((1.958712525e-11_pr)& + T *((-1.1008894e-15_pr)))))) + (4.21208480e+04_pr)) Cp(sNH) = 553.602343854042 * ((2.78369280e+00_pr)& + T *((1.32984300e-03_pr)& + T *((-4.24780470e-07_pr)& + T *((7.83485010e-11_pr)& + T *(-5.50444700e-15_pr))))) dH(sNH) = 553.602343854042 * ( (2.78369280e+00_pr)& + T *((1.32984300e-03_pr)& + T *((-4.24780470e-07_pr)& + T *((7.83485010e-11_pr)& + T *((-5.50444700e-15_pr))))) ) H(sHCN) = 307.606926150659 * ( T * ((3.80223920e+00_pr)& + T *((0.0015732114_pr)& + T *((-3.54406166666667e-07_pr)& + T *((4.15493925e-11_pr)& + T *((-1.9599514e-15_pr)))))) + (1.44072920e+04_pr)) Cp(sHCN) = 307.606926150659 * ((3.80223920e+00_pr)& + T *((3.14642280e-03_pr)& + T *((-1.06321850e-06_pr)& + T *((1.66197570e-10_pr)& + T *(-9.79975700e-15_pr))))) dH(sHCN) = 307.606926150659 * ( (3.80223920e+00_pr)& + T *((3.14642280e-03_pr)& + T *((-1.06321850e-06_pr)& + T *((1.66197570e-10_pr)& + T *((-9.79975700e-15_pr))))) ) H(sHNO) = 268.037913469598 * ( T * ((2.97925090e+00_pr)& + T *((0.00174720295_pr)& + T *((-2.61832593333333e-07_pr)& + T *((1.43698985e-11_pr)& + T *((-3.8671832e-17_pr)))))) + (1.17505820e+04_pr)) Cp(sHNO) = 268.037913469598 * ((2.97925090e+00_pr)& + T *((3.49440590e-03_pr)& + T *((-7.85497780e-07_pr)& + T *((5.74795940e-11_pr)& + T *(-1.93359160e-16_pr))))) dH(sHNO) = 268.037913469598 * ( (2.97925090e+00_pr)& + T *((3.49440590e-03_pr)& + T *((-7.85497780e-07_pr)& + T *((5.74795940e-11_pr)& + T *((-1.93359160e-16_pr))))) ) H(sNO2) = 180.699847859161 * ( T * ((4.88475420e+00_pr)& + T *((0.0010861978_pr)& + T *((-2.7602302e-07_pr)& + T *((3.9368775e-11_pr)& + T *((-2.102179e-15_pr)))))) + (2.31649830e+03_pr)) Cp(sNO2) = 180.699847859161 * ((4.88475420e+00_pr)& + T *((2.17239560e-03_pr)& + T *((-8.28069060e-07_pr)& + T *((1.57475100e-10_pr)& + T *(-1.05108950e-14_pr))))) dH(sNO2) = 180.699847859161 * ( (4.88475420e+00_pr)& + T *((2.17239560e-03_pr)& + T *((-8.28069060e-07_pr)& + T *((1.57475100e-10_pr)& + T *((-1.05108950e-14_pr))))) ) else H(sN2) = 296.716630977873 * ( T * ((3.29867700e+00_pr)& + T *((0.0007041202_pr)& + T *((-1.321074e-06_pr)& + T *((1.41037875e-09_pr)& + T *((-4.889708e-13_pr)))))) + (-1.02089990e+03_pr)) Cp(sN2) = 296.716630977873 * ((3.29867700e+00_pr)& + T *((1.40824040e-03_pr)& + T *((-3.96322200e-06_pr)& + T *((5.64151500e-09_pr)& + T *(-2.44485400e-12_pr))))) dH(sN2) = 296.716630977873 * ( (3.29867700e+00_pr)& + T *((1.40824040e-03_pr)& + T *((-3.96322200e-06_pr)& + T *((5.64151500e-09_pr)& + T *((-2.44485400e-12_pr))))) ) H(sH) = 8248.01587301587 * ( T * ((2.50000000e+00_pr)& + T *((3.526664095e-13_pr)& + T *((-6.65306546666667e-16_pr)& + T *((5.7520408e-19_pr)& + T *((-1.855464664e-22_pr)))))) + (2.54736599e+04_pr)) Cp(sH) = 8248.01587301587 * ((2.50000000e+00_pr)& + T *((7.05332819e-13_pr)& + T *((-1.99591964e-15_pr)& + T *((2.30081632e-18_pr)& + T *(-9.27732332e-22_pr))))) dH(sH) = 8248.01587301587 * ( (2.50000000e+00_pr)& + T *((7.05332819e-13_pr)& + T *((-1.99591964e-15_pr)& + T *((2.30081632e-18_pr)& + T *((-9.27732332e-22_pr))))) ) H(sH2) = 4124.00793650794 * ( T * ((2.34433112e+00_pr)& + T *((0.003990260375_pr)& + T *((-6.492717e-06_pr)& + T *((5.03930235e-09_pr)& + T *((-1.475223522e-12_pr)))))) + (-9.17935173e+02_pr)) Cp(sH2) = 4124.00793650794 * ((2.34433112e+00_pr)& + T *((7.98052075e-03_pr)& + T *((-1.94781510e-05_pr)& + T *((2.01572094e-08_pr)& + T *(-7.37611761e-12_pr))))) dH(sH2) = 4124.00793650794 * ( (2.34433112e+00_pr)& + T *((7.98052075e-03_pr)& + T *((-1.94781510e-05_pr)& + T *((2.01572094e-08_pr)& + T *((-7.37611761e-12_pr))))) ) H(sO) = 519.625 * ( T * ((3.16826710e+00_pr)& + T *((-0.00163965942_pr)& + T *((2.21435465333333e-06_pr)& + T *((-1.53201656e-09_pr)& + T *((4.22531942e-13_pr)))))) + (2.91222592e+04_pr)) Cp(sO) = 519.625 * ((3.16826710e+00_pr)& + T *((-3.27931884e-03_pr)& + T *((6.64306396e-06_pr)& + T *((-6.12806624e-09_pr)& + T *(2.11265971e-12_pr))))) dH(sO) = 519.625 * ( (3.16826710e+00_pr)& + T *((-3.27931884e-03_pr)& + T *((6.64306396e-06_pr)& + T *((-6.12806624e-09_pr)& + T *((2.11265971e-12_pr))))) ) H(sO2) = 259.8125 * ( T * ((3.78245636e+00_pr)& + T *((-0.00149836708_pr)& + T *((3.28243400333333e-06_pr)& + T *((-2.4203237725e-09_pr)& + T *((6.48745674e-13_pr)))))) + (-1.06394356e+03_pr)) Cp(sO2) = 259.8125 * ((3.78245636e+00_pr)& + T *((-2.99673416e-03_pr)& + T *((9.84730201e-06_pr)& + T *((-9.68129509e-09_pr)& + T *(3.24372837e-12_pr))))) dH(sO2) = 259.8125 * ( (3.78245636e+00_pr)& + T *((-2.99673416e-03_pr)& + T *((9.84730201e-06_pr)& + T *((-9.68129509e-09_pr)& + T *((3.24372837e-12_pr))))) ) H(sOH) = 488.828786453434 * ( T * ((4.12530561e+00_pr)& + T *((-0.001612724695_pr)& + T *((2.17588230333333e-06_pr)& + T *((-1.4496341075e-09_pr)& + T *((4.12474758e-13_pr)))))) + (3.38153812e+03_pr)) Cp(sOH) = 488.828786453434 * ((4.12530561e+00_pr)& + T *((-3.22544939e-03_pr)& + T *((6.52764691e-06_pr)& + T *((-5.79853643e-09_pr)& + T *(2.06237379e-12_pr))))) dH(sOH) = 488.828786453434 * ( (4.12530561e+00_pr)& + T *((-3.22544939e-03_pr)& + T *((6.52764691e-06_pr)& + T *((-5.79853643e-09_pr)& + T *((2.06237379e-12_pr))))) ) H(sH2O) = 461.478685612789 * ( T * ((4.19864056e+00_pr)& + T *((-0.00101821705_pr)& + T *((2.17346737e-06_pr)& + T *((-1.371992655e-09_pr)& + T *((3.54395634e-13_pr)))))) + (-3.02937267e+04_pr)) Cp(sH2O) = 461.478685612789 * ((4.19864056e+00_pr)& + T *((-2.03643410e-03_pr)& + T *((6.52040211e-06_pr)& + T *((-5.48797062e-09_pr)& + T *(1.77197817e-12_pr))))) dH(sH2O) = 461.478685612789 * ( (4.19864056e+00_pr)& + T *((-2.03643410e-03_pr)& + T *((6.52040211e-06_pr)& + T *((-5.48797062e-09_pr)& + T *((1.77197817e-12_pr))))) ) H(sH2O2) = 244.414393226717 * ( T * ((4.27611269e+00_pr)& + T *((-0.0002714112085_pr)& + T *((5.5778567e-06_pr)& + T *((-5.394270325e-09_pr)& + T *((1.724908726e-12_pr)))))) + (-1.77025821e+04_pr)) Cp(sH2O2) = 244.414393226717 * ((4.27611269e+00_pr)& + T *((-5.42822417e-04_pr)& + T *((1.67335701e-05_pr)& + T *((-2.15770813e-08_pr)& + T *(8.62454363e-12_pr))))) dH(sH2O2) = 244.414393226717 * ( (4.27611269e+00_pr)& + T *((-5.42822417e-04_pr)& + T *((1.67335701e-05_pr)& + T *((-2.15770813e-08_pr)& + T *((8.62454363e-12_pr))))) ) H(sHO2) = 251.878332525448 * ( T * ((4.30179801e+00_pr)& + T *((-0.002374560255_pr)& + T *((7.05276303333333e-06_pr)& + T *((-6.06909735e-09_pr)& + T *((1.858450248e-12_pr)))))) + (2.94808040e+02_pr)) Cp(sHO2) = 251.878332525448 * ((4.30179801e+00_pr)& + T *((-4.74912051e-03_pr)& + T *((2.11582891e-05_pr)& + T *((-2.42763894e-08_pr)& + T *(9.29225124e-12_pr))))) dH(sHO2) = 251.878332525448 * ( (4.30179801e+00_pr)& + T *((-4.74912051e-03_pr)& + T *((2.11582891e-05_pr)& + T *((-2.42763894e-08_pr)& + T *((9.29225124e-12_pr))))) ) H(sCH) = 638.654171147642 * ( T * ((3.48981665e+00_pr)& + T *((0.0001619177705_pr)& + T *((-5.62996883333333e-07_pr)& + T *((7.905433175e-10_pr)& + T *((-2.81218134e-13_pr)))))) + (7.07972934e+04_pr)) Cp(sCH) = 638.654171147642 * ((3.48981665e+00_pr)& + T *((3.23835541e-04_pr)& + T *((-1.68899065e-06_pr)& + T *((3.16217327e-09_pr)& + T *(-1.40609067e-12_pr))))) dH(sCH) = 638.654171147642 * ( (3.48981665e+00_pr)& + T *((3.23835541e-04_pr)& + T *((-1.68899065e-06_pr)& + T *((3.16217327e-09_pr)& + T *((-1.40609067e-12_pr))))) ) H(sCO) = 296.822563370225 * ( T * ((3.57953347e+00_pr)& + T *((-0.00030517684_pr)& + T *((3.3893811e-07_pr)& + T *((2.26751471e-10_pr)& + T *((-1.808848998e-13_pr)))))) + (-1.43440860e+04_pr)) Cp(sCO) = 296.822563370225 * ((3.57953347e+00_pr)& + T *((-6.10353680e-04_pr)& + T *((1.01681433e-06_pr)& + T *((9.07005884e-10_pr)& + T *(-9.04424499e-13_pr))))) dH(sCO) = 296.822563370225 * ( (3.57953347e+00_pr)& + T *((-6.10353680e-04_pr)& + T *((1.01681433e-06_pr)& + T *((9.07005884e-10_pr)& + T *((-9.04424499e-13_pr))))) ) H(sHCO) = 286.5118202495 * ( T * ((4.22118584e+00_pr)& + T *((-0.00162196266_pr)& + T *((4.59331486666667e-06_pr)& + T *((-3.328602325e-09_pr)& + T *((8.6753773e-13_pr)))))) + (3.83956496e+03_pr)) Cp(sHCO) = 286.5118202495 * ((4.22118584e+00_pr)& + T *((-3.24392532e-03_pr)& + T *((1.37799446e-05_pr)& + T *((-1.33144093e-08_pr)& + T *(4.33768865e-12_pr))))) dH(sHCO) = 286.5118202495 * ( (4.22118584e+00_pr)& + T *((-3.24392532e-03_pr)& + T *((1.37799446e-05_pr)& + T *((-1.33144093e-08_pr)& + T *((4.33768865e-12_pr))))) ) H(sCH2O) = 276.89335908879 * ( T * ((4.79372315e+00_pr)& + T *((-0.004954166845_pr)& + T *((1.24406669333333e-05_pr)& + T *((-9.482131525e-09_pr)& + T *((2.63545304e-12_pr)))))) + (-1.43089567e+04_pr)) Cp(sCH2O) = 276.89335908879 * ((4.79372315e+00_pr)& + T *((-9.90833369e-03_pr)& + T *((3.73220008e-05_pr)& + T *((-3.79285261e-08_pr)& + T *(1.31772652e-11_pr))))) dH(sCH2O) = 276.89335908879 * ( (4.79372315e+00_pr)& + T *((-9.90833369e-03_pr)& + T *((3.73220008e-05_pr)& + T *((-3.79285261e-08_pr)& + T *((1.31772652e-11_pr))))) ) H(sCH2) = 592.756309710538 * ( T * ((3.76267867e+00_pr)& + T *((0.0004844360715_pr)& + T *((9.31632803333333e-07_pr)& + T *((-9.627278825e-10_pr)& + T *((3.37483438e-13_pr)))))) + (4.60040401e+04_pr)) Cp(sCH2) = 592.756309710538 * ((3.76267867e+00_pr)& + T *((9.68872143e-04_pr)& + T *((2.79489841e-06_pr)& + T *((-3.85091153e-09_pr)& + T *(1.68741719e-12_pr))))) dH(sCH2) = 592.756309710538 * ( (3.76267867e+00_pr)& + T *((9.68872143e-04_pr)& + T *((2.79489841e-06_pr)& + T *((-3.85091153e-09_pr)& + T *((1.68741719e-12_pr))))) ) H(sCH3) = 553.013170147665 * ( T * ((3.67359040e+00_pr)& + T *((0.001005475875_pr)& + T *((1.91007285333333e-06_pr)& + T *((-1.7177935625e-09_pr)& + T *((5.08771468e-13_pr)))))) + (1.64449988e+04_pr)) Cp(sCH3) = 553.013170147665 * ((3.67359040e+00_pr)& + T *((2.01095175e-03_pr)& + T *((5.73021856e-06_pr)& + T *((-6.87117425e-09_pr)& + T *(2.54385734e-12_pr))))) dH(sCH3) = 553.013170147665 * ( (3.67359040e+00_pr)& + T *((2.01095175e-03_pr)& + T *((5.73021856e-06_pr)& + T *((-6.87117425e-09_pr)& + T *((2.54385734e-12_pr))))) ) H(sCO2) = 188.911610997501 * ( T * ((2.35677352e+00_pr)& + T *((0.004492298385_pr)& + T *((-2.37452089666667e-06_pr)& + T *((6.14797555e-10_pr)& + T *((-2.87399096e-14_pr)))))) + (-4.83719697e+04_pr)) Cp(sCO2) = 188.911610997501 * ((2.35677352e+00_pr)& + T *((8.98459677e-03_pr)& + T *((-7.12356269e-06_pr)& + T *((2.45919022e-09_pr)& + T *(-1.43699548e-13_pr))))) dH(sCO2) = 188.911610997501 * ( (2.35677352e+00_pr)& + T *((8.98459677e-03_pr)& + T *((-7.12356269e-06_pr)& + T *((2.45919022e-09_pr)& + T *((-1.43699548e-13_pr))))) ) H(sCH2DXCH2) = 592.756309710538 * ( T * ((4.19860411e+00_pr)& + T *((-0.001183307095_pr)& + T *((2.74432073333333e-06_pr)& + T *((-1.6720399525e-09_pr)& + T *((3.88629474e-13_pr)))))) + (5.04968163e+04_pr)) Cp(sCH2DXCH2) = 592.756309710538 * ((4.19860411e+00_pr)& + T *((-2.36661419e-03_pr)& + T *((8.23296220e-06_pr)& + T *((-6.68815981e-09_pr)& + T *(1.94314737e-12_pr))))) dH(sCH2DXCH2) = 592.756309710538 * ( (4.19860411e+00_pr)& + T *((-2.36661419e-03_pr)& + T *((8.23296220e-06_pr)& + T *((-6.68815981e-09_pr)& + T *((1.94314737e-12_pr))))) ) H(sCH3O) = 267.899722884578 * ( T * ((3.71180502e+00_pr)& + T *((-0.00140231653_pr)& + T *((1.25516990333333e-05_pr)& + T *((-1.1826802225e-08_pr)& + T *((3.7317684e-12_pr)))))) + (1.29569760e+03_pr)) Cp(sCH3O) = 267.899722884578 * ((3.71180502e+00_pr)& + T *((-2.80463306e-03_pr)& + T *((3.76550971e-05_pr)& + T *((-4.73072089e-08_pr)& + T *(1.86588420e-11_pr))))) dH(sCH3O) = 267.899722884578 * ( (3.71180502e+00_pr)& + T *((-2.80463306e-03_pr)& + T *((3.76550971e-05_pr)& + T *((-4.73072089e-08_pr)& + T *((1.86588420e-11_pr))))) ) H(sCH4) = 518.264555541703 * ( T * ((5.14987613e+00_pr)& + T *((-0.0068354894_pr)& + T *((1.63933533e-05_pr)& + T *((-1.211857565e-08_pr)& + T *((3.33387912e-12_pr)))))) + (-1.02466476e+04_pr)) Cp(sCH4) = 518.264555541703 * ((5.14987613e+00_pr)& + T *((-1.36709788e-02_pr)& + T *((4.91800599e-05_pr)& + T *((-4.84743026e-08_pr)& + T *(1.66693956e-11_pr))))) dH(sCH4) = 518.264555541703 * ( (5.14987613e+00_pr)& + T *((-1.36709788e-02_pr)& + T *((4.91800599e-05_pr)& + T *((-4.84743026e-08_pr)& + T *((1.66693956e-11_pr))))) ) H(sC2H4) = 296.378154855269 * ( T * ((3.95920148e+00_pr)& + T *((-0.003785261235_pr)& + T *((1.90330097333333e-05_pr)& + T *((-1.7289718825e-08_pr)& + T *((5.39768746e-12_pr)))))) + (5.08977593e+03_pr)) Cp(sC2H4) = 296.378154855269 * ((3.95920148e+00_pr)& + T *((-7.57052247e-03_pr)& + T *((5.70990292e-05_pr)& + T *((-6.91588753e-08_pr)& + T *(2.69884373e-11_pr))))) dH(sC2H4) = 296.378154855269 * ( (3.95920148e+00_pr)& + T *((-7.57052247e-03_pr)& + T *((5.70990292e-05_pr)& + T *((-6.91588753e-08_pr)& + T *((2.69884373e-11_pr))))) ) H(sC2H5) = 286.097728836889 * ( T * ((4.30646568e+00_pr)& + T *((-0.00209329446_pr)& + T *((1.65714269e-05_pr)& + T *((-1.497816515e-08_pr)& + T *((4.61018008e-12_pr)))))) + (1.28416265e+04_pr)) Cp(sC2H5) = 286.097728836889 * ((4.30646568e+00_pr)& + T *((-4.18658892e-03_pr)& + T *((4.97142807e-05_pr)& + T *((-5.99126606e-08_pr)& + T *(2.30509004e-11_pr))))) dH(sC2H5) = 286.097728836889 * ( (4.30646568e+00_pr)& + T *((-4.18658892e-03_pr)& + T *((4.97142807e-05_pr)& + T *((-5.99126606e-08_pr)& + T *((2.30509004e-11_pr))))) ) H(sC2H6) = 276.506585073833 * ( T * ((4.29142492e+00_pr)& + T *((-0.00275077135_pr)& + T *((1.99812762666667e-05_pr)& + T *((-1.7711657125e-08_pr)& + T *((5.37371542e-12_pr)))))) + (-1.15222055e+04_pr)) Cp(sC2H6) = 276.506585073833 * ((4.29142492e+00_pr)& + T *((-5.50154270e-03_pr)& + T *((5.99438288e-05_pr)& + T *((-7.08466285e-08_pr)& + T *(2.68685771e-11_pr))))) dH(sC2H6) = 276.506585073833 * ( (4.29142492e+00_pr)& + T *((-5.50154270e-03_pr)& + T *((5.99438288e-05_pr)& + T *((-7.08466285e-08_pr)& + T *((2.68685771e-11_pr))))) ) H(sC2H3) = 307.424937139476 * ( T * ((3.21246645e+00_pr)& + T *((0.00075739581_pr)& + T *((8.64031373333333e-06_pr)& + T *((-8.941446175e-09_pr)& + T *((2.94301746e-12_pr)))))) + (3.48598468e+04_pr)) Cp(sC2H3) = 307.424937139476 * ((3.21246645e+00_pr)& + T *((1.51479162e-03_pr)& + T *((2.59209412e-05_pr)& + T *((-3.57657847e-08_pr)& + T *(1.47150873e-11_pr))))) dH(sC2H3) = 307.424937139476 * ( (3.21246645e+00_pr)& + T *((1.51479162e-03_pr)& + T *((2.59209412e-05_pr)& + T *((-3.57657847e-08_pr)& + T *((1.47150873e-11_pr))))) ) H(sCH2CO) = 197.782852792844 * ( T * ((2.13583630e+00_pr)& + T *((0.00905943605_pr)& + T *((-5.79824913333333e-06_pr)& + T *((2.33599392e-09_pr)& + T *((-4.0291523e-13_pr)))))) + (-7.27000000e+03_pr)) Cp(sCH2CO) = 197.782852792844 * ((2.13583630e+00_pr)& + T *((1.81188721e-02_pr)& + T *((-1.73947474e-05_pr)& + T *((9.34397568e-09_pr)& + T *(-2.01457615e-12_pr))))) dH(sCH2CO) = 197.782852792844 * ( (2.13583630e+00_pr)& + T *((1.81188721e-02_pr)& + T *((-1.73947474e-05_pr)& + T *((9.34397568e-09_pr)& + T *((-2.01457615e-12_pr))))) ) H(sHCCO) = 202.64209807936 * ( T * ((2.25172140e+00_pr)& + T *((0.0088275105_pr)& + T *((-7.90970033333333e-06_pr)& + T *((4.31893975e-09_pr)& + T *((-1.01329622e-12_pr)))))) + (2.00594490e+04_pr)) Cp(sHCCO) = 202.64209807936 * ((2.25172140e+00_pr)& + T *((1.76550210e-02_pr)& + T *((-2.37291010e-05_pr)& + T *((1.72757590e-08_pr)& + T *(-5.06648110e-12_pr))))) dH(sHCCO) = 202.64209807936 * ( (2.25172140e+00_pr)& + T *((1.76550210e-02_pr)& + T *((-2.37291010e-05_pr)& + T *((1.72757590e-08_pr)& + T *((-5.06648110e-12_pr))))) ) H(sC2H2) = 319.327085573821 * ( T * ((8.08681094e-01_pr)& + T *((0.01168078145_pr)& + T *((-1.18390605e-05_pr)& + T *((7.003810925e-09_pr)& + T *((-1.700145948e-12_pr)))))) + (2.64289807e+04_pr)) Cp(sC2H2) = 319.327085573821 * ((8.08681094e-01_pr)& + T *((2.33615629e-02_pr)& + T *((-3.55171815e-05_pr)& + T *((2.80152437e-08_pr)& + T *(-8.50072974e-12_pr))))) dH(sC2H2) = 319.327085573821 * ( (8.08681094e-01_pr)& + T *((2.33615629e-02_pr)& + T *((-3.55171815e-05_pr)& + T *((2.80152437e-08_pr)& + T *((-8.50072974e-12_pr))))) ) H(sAXXC3H5) = 202.434867299732 * ( T * ((1.36318350e+00_pr)& + T *((0.0099069105_pr)& + T *((4.16568666666667e-06_pr)& + T *((-8.33888875e-09_pr)& + T *((3.1693142e-12_pr)))))) + (1.92456290e+04_pr)) Cp(sAXXC3H5) = 202.434867299732 * ((1.36318350e+00_pr)& + T *((1.98138210e-02_pr)& + T *((1.24970600e-05_pr)& + T *((-3.33555550e-08_pr)& + T *(1.58465710e-11_pr))))) dH(sAXXC3H5) = 202.434867299732 * ( (1.36318350e+00_pr)& + T *((1.98138210e-02_pr)& + T *((1.24970600e-05_pr)& + T *((-3.33555550e-08_pr)& + T *((1.58465710e-11_pr))))) ) H(sCH2CHO) = 193.15119412694 * ( T * ((3.40906240e+00_pr)& + T *((0.005369287_pr)& + T *((6.304975e-07_pr)& + T *((-1.789645775e-09_pr)& + T *((5.7347702e-13_pr)))))) + (6.20000000e+01_pr)) Cp(sCH2CHO) = 193.15119412694 * ((3.40906240e+00_pr)& + T *((1.07385740e-02_pr)& + T *((1.89149250e-06_pr)& + T *((-7.15858310e-09_pr)& + T *(2.86738510e-12_pr))))) dH(sCH2CHO) = 193.15119412694 * ( (3.40906240e+00_pr)& + T *((1.07385740e-02_pr)& + T *((1.89149250e-06_pr)& + T *((-7.15858310e-09_pr)& + T *((2.86738510e-12_pr))))) ) H(sC3H6) = 197.585436570179 * ( T * ((1.49330700e+00_pr)& + T *((0.01046259_pr)& + T *((1.495598e-06_pr)& + T *((-4.17228e-09_pr)& + T *((1.4316292e-12_pr)))))) + (1.07482600e+03_pr)) Cp(sC3H6) = 197.585436570179 * ((1.49330700e+00_pr)& + T *((2.09251800e-02_pr)& + T *((4.48679400e-06_pr)& + T *((-1.66891200e-08_pr)& + T *(7.15814600e-12_pr))))) dH(sC3H6) = 197.585436570179 * ( (1.49330700e+00_pr)& + T *((2.09251800e-02_pr)& + T *((4.48679400e-06_pr)& + T *((-1.66891200e-08_pr)& + T *((7.15814600e-12_pr))))) ) H(sIXXC4H8) = 148.189077427634 * ( T * ((2.64714050e+00_pr)& + T *((0.0129514785_pr)& + T *((2.73284513333333e-06_pr)& + T *((-5.54831475e-09_pr)& + T *((1.7791716e-12_pr)))))) + (-4.03730690e+03_pr)) Cp(sIXXC4H8) = 148.189077427634 * ((2.64714050e+00_pr)& + T *((2.59029570e-02_pr)& + T *((8.19853540e-06_pr)& + T *((-2.21932590e-08_pr)& + T *(8.89585800e-12_pr))))) dH(sIXXC4H8) = 148.189077427634 * ( (2.64714050e+00_pr)& + T *((2.59029570e-02_pr)& + T *((8.19853540e-06_pr)& + T *((-2.21932590e-08_pr)& + T *((8.89585800e-12_pr))))) ) H(sC5H6) = 125.782928379073 * ( T * ((8.61089570e-01_pr)& + T *((0.0074020155_pr)& + T *((2.40362983333333e-05_pr)& + T *((-2.83451375e-08_pr)& + T *((9.7379944e-12_pr)))))) + (1.48017550e+04_pr)) Cp(sC5H6) = 125.782928379073 * ((8.61089570e-01_pr)& + T *((1.48040310e-02_pr)& + T *((7.21088950e-05_pr)& + T *((-1.13380550e-07_pr)& + T *(4.86899720e-11_pr))))) dH(sC5H6) = 125.782928379073 * ( (8.61089570e-01_pr)& + T *((1.48040310e-02_pr)& + T *((7.21088950e-05_pr)& + T *((-1.13380550e-07_pr)& + T *((4.86899720e-11_pr))))) ) H(sC6H5) = 107.833981841764 * ( T * ((-3.69314530e+00_pr)& + T *((0.026089484_pr)& + T *((-8.51947566666667e-06_pr)& + T *((-1.766528025e-09_pr)& + T *((1.5166795e-12_pr)))))) + (3.97795900e+04_pr)) Cp(sC6H5) = 107.833981841764 * ((-3.69314530e+00_pr)& + T *((5.21789680e-02_pr)& + T *((-2.55584270e-05_pr)& + T *((-7.06611210e-09_pr)& + T *(7.58339750e-12_pr))))) dH(sC6H5) = 107.833981841764 * ( (-3.69314530e+00_pr)& + T *((5.21789680e-02_pr)& + T *((-2.55584270e-05_pr)& + T *((-7.06611210e-09_pr)& + T *((7.58339750e-12_pr))))) ) H(sC6H5CH3) = 90.2381314172835 * ( T * ((1.61526630e+00_pr)& + T *((0.010549719_pr)& + T *((2.84553393333333e-05_pr)& + T *((-3.3152665e-08_pr)& + T *((1.11913208e-11_pr)))))) + (4.07563000e+03_pr)) Cp(sC6H5CH3) = 90.2381314172835 * ((1.61526630e+00_pr)& + T *((2.10994380e-02_pr)& + T *((8.53660180e-05_pr)& + T *((-1.32610660e-07_pr)& + T *(5.59566040e-11_pr))))) dH(sC6H5CH3) = 90.2381314172835 * ( (1.61526630e+00_pr)& + T *((2.10994380e-02_pr)& + T *((8.53660180e-05_pr)& + T *((-1.32610660e-07_pr)& + T *((5.59566040e-11_pr))))) ) H(sC6H6) = 106.44236185794 * ( T * ((-4.84377340e+00_pr)& + T *((0.0292138065_pr)& + T *((-9.82861833333333e-06_pr)& + T *((-1.734761e-09_pr)& + T *((1.64250506e-12_pr)))))) + (9.18177730e+03_pr)) Cp(sC6H6) = 106.44236185794 * ((-4.84377340e+00_pr)& + T *((5.84276130e-02_pr)& + T *((-2.94858550e-05_pr)& + T *((-6.93904400e-09_pr)& + T *(8.21252530e-12_pr))))) dH(sC6H6) = 106.44236185794 * ( (-4.84377340e+00_pr)& + T *((5.84276130e-02_pr)& + T *((-2.94858550e-05_pr)& + T *((-6.93904400e-09_pr)& + T *((8.21252530e-12_pr))))) ) H(sC6H5O) = 89.3018259935553 * ( T * ((-4.66204455e-01_pr)& + T *((0.02067219875_pr)& + T *((4.41376636666667e-06_pr)& + T *((-1.4321819225e-08_pr)& + T *((5.79527414e-12_pr)))))) + (4.77858391e+03_pr)) Cp(sC6H5O) = 89.3018259935553 * ((-4.66204455e-01_pr)& + T *((4.13443975e-02_pr)& + T *((1.32412991e-05_pr)& + T *((-5.72872769e-08_pr)& + T *(2.89763707e-11_pr))))) dH(sC6H5O) = 89.3018259935553 * ( (-4.66204455e-01_pr)& + T *((4.13443975e-02_pr)& + T *((1.32412991e-05_pr)& + T *((-5.72872769e-08_pr)& + T *((2.89763707e-11_pr))))) ) H(sC6H4O2) = 76.9159604781112 * ( T * ((-9.51930050e-01_pr)& + T *((0.0289212225_pr)& + T *((-1.27381463333333e-05_pr)& + T *((1.1578164e-09_pr)& + T *((7.2593302e-13_pr)))))) + (-1.76110470e+04_pr)) Cp(sC6H4O2) = 76.9159604781112 * ((-9.51930050e-01_pr)& + T *((5.78424450e-02_pr)& + T *((-3.82144390e-05_pr)& + T *((4.63126560e-09_pr)& + T *(3.62966510e-12_pr))))) dH(sC6H4O2) = 76.9159604781112 * ( (-9.51930050e-01_pr)& + T *((5.78424450e-02_pr)& + T *((-3.82144390e-05_pr)& + T *((4.63126560e-09_pr)& + T *((3.62966510e-12_pr))))) ) H(sPOSF10325XC11H22) = 53.8869372464125 * & ( T * ((3.16857770e+00_pr)& + T *((0.035601724_pr)& + T *((2.89986516666667e-05_pr)& + T *((-4.2153015e-08_pr)& + T *((1.5197274e-11_pr)))))) + (-4.04463440e+04_pr)) Cp(sPOSF10325XC11H22) = 53.8869372464125 * & ((3.16857770e+00_pr)& + T *((7.12034480e-02_pr)& + T *((8.69959550e-05_pr)& + T *((-1.68612060e-07_pr)& + T *(7.59863700e-11_pr))))) dH(sPOSF10325XC11H22) = 53.8869372464125 * & ( (3.16857770e+00_pr)& + T *((7.12034480e-02_pr)& + T *((8.69959550e-05_pr)& + T *((-1.68612060e-07_pr)& + T *((7.59863700e-11_pr))))) ) H(sN) = 593.433261955746 * ( T * ((2.50000000e+00_pr)& + T *((0_pr)& + T *((0_pr)& + T *((0_pr)& + T *((0_pr)))))) + (5.61046370e+04_pr)) Cp(sN) = 593.433261955746 * ((2.50000000e+00_pr)& + T *((0.00000000e+00_pr)& + T *((0.00000000e+00_pr)& + T *((0.00000000e+00_pr)& + T *(0.00000000e+00_pr))))) dH(sN) = 593.433261955746 * ( (2.50000000e+00_pr)& + T *((0.00000000e+00_pr)& + T *((0.00000000e+00_pr)& + T *((0.00000000e+00_pr)& + T *((0.00000000e+00_pr))))) ) H(sNO) = 277.040986337887 * ( T * ((4.21847630e+00_pr)& + T *((-0.002319488_pr)& + T *((3.68034066666667e-06_pr)& + T *((-2.33403385e-09_pr)& + T *((5.607154e-13_pr)))))) + (9.84462300e+03_pr)) Cp(sNO) = 277.040986337887 * ((4.21847630e+00_pr)& + T *((-4.63897600e-03_pr)& + T *((1.10410220e-05_pr)& + T *((-9.33613540e-09_pr)& + T *(2.80357700e-12_pr))))) dH(sNO) = 277.040986337887 * ( (4.21847630e+00_pr)& + T *((-4.63897600e-03_pr)& + T *((1.10410220e-05_pr)& + T *((-9.33613540e-09_pr)& + T *((2.80357700e-12_pr))))) ) H(sNCO) = 197.858162779629 * ( T * ((2.82693080e+00_pr)& + T *((0.0044025844_pr)& + T *((-2.7955378e-06_pr)& + T *((1.2004241e-09_pr)& + T *((-2.662719e-13_pr)))))) + (1.46824770e+04_pr)) Cp(sNCO) = 197.858162779629 * ((2.82693080e+00_pr)& + T *((8.80516880e-03_pr)& + T *((-8.38661340e-06_pr)& + T *((4.80169640e-09_pr)& + T *(-1.33135950e-12_pr))))) dH(sNCO) = 197.858162779629 * ( (2.82693080e+00_pr)& + T *((8.80516880e-03_pr)& + T *((-8.38661340e-06_pr)& + T *((4.80169640e-09_pr)& + T *((-1.33135950e-12_pr))))) ) H(sH2CN) = 296.547296333286 * ( T * ((2.85166100e+00_pr)& + T *((0.00284761655_pr)& + T *((3.57046666666667e-07_pr)& + T *((-4.05653e-10_pr)& + T *((-4.7022162e-14_pr)))))) + (2.86378200e+04_pr)) Cp(sH2CN) = 296.547296333286 * ((2.85166100e+00_pr)& + T *((5.69523310e-03_pr)& + T *((1.07114000e-06_pr)& + T *((-1.62261200e-09_pr)& + T *(-2.35110810e-13_pr))))) dH(sH2CN) = 296.547296333286 * ( (2.85166100e+00_pr)& + T *((5.69523310e-03_pr)& + T *((1.07114000e-06_pr)& + T *((-1.62261200e-09_pr)& + T *((-2.35110810e-13_pr))))) ) H(sCN) = 319.523443504996 * ( T * ((3.61293510e+00_pr)& + T *((-0.000477756635_pr)& + T *((7.147659e-07_pr)& + T *((-7.87908075e-11_pr)& + T *((-9.2860712e-14_pr)))))) + (5.17083400e+04_pr)) Cp(sCN) = 319.523443504996 * ((3.61293510e+00_pr)& + T *((-9.55513270e-04_pr)& + T *((2.14429770e-06_pr)& + T *((-3.15163230e-10_pr)& + T *(-4.64303560e-13_pr))))) dH(sCN) = 319.523443504996 * ( (3.61293510e+00_pr)& + T *((-9.55513270e-04_pr)& + T *((2.14429770e-06_pr)& + T *((-3.15163230e-10_pr)& + T *((-4.64303560e-13_pr))))) ) H(sNH) = 553.602343854042 * ( T * ((3.49290850e+00_pr)& + T *((0.00015589599_pr)& + T *((-4.96349466666667e-07_pr)& + T *((6.2041105e-10_pr)& + T *((-2.0713934e-13_pr)))))) + (4.18806290e+04_pr)) Cp(sNH) = 553.602343854042 * ((3.49290850e+00_pr)& + T *((3.11791980e-04_pr)& + T *((-1.48904840e-06_pr)& + T *((2.48164420e-09_pr)& + T *(-1.03569670e-12_pr))))) dH(sNH) = 553.602343854042 * ( (3.49290850e+00_pr)& + T *((3.11791980e-04_pr)& + T *((-1.48904840e-06_pr)& + T *((2.48164420e-09_pr)& + T *((-1.03569670e-12_pr))))) ) H(sHCN) = 307.606926150659 * ( T * ((2.25898860e+00_pr)& + T *((0.005025585_pr)& + T *((-4.45058766666667e-06_pr)& + T *((2.52308725e-09_pr)& + T *((-6.0178056e-13_pr)))))) + (1.47126330e+04_pr)) Cp(sHCN) = 307.606926150659 * ((2.25898860e+00_pr)& + T *((1.00511700e-02_pr)& + T *((-1.33517630e-05_pr)& + T *((1.00923490e-08_pr)& + T *(-3.00890280e-12_pr))))) dH(sHCN) = 307.606926150659 * ( (2.25898860e+00_pr)& + T *((1.00511700e-02_pr)& + T *((-1.33517630e-05_pr)& + T *((1.00923490e-08_pr)& + T *((-3.00890280e-12_pr))))) ) H(sHNO) = 268.037913469598 * ( T * ((4.53349160e+00_pr)& + T *((-0.00283480855_pr)& + T *((6.15773566666667e-06_pr)& + T *((-4.2842735e-09_pr)& + T *((1.10909146e-12_pr)))))) + (1.15482970e+04_pr)) Cp(sHNO) = 268.037913469598 * ((4.53349160e+00_pr)& + T *((-5.66961710e-03_pr)& + T *((1.84732070e-05_pr)& + T *((-1.71370940e-08_pr)& + T *(5.54545730e-12_pr))))) dH(sHNO) = 268.037913469598 * ( (4.53349160e+00_pr)& + T *((-5.66961710e-03_pr)& + T *((1.84732070e-05_pr)& + T *((-1.71370940e-08_pr)& + T *((5.54545730e-12_pr))))) ) H(sNO2) = 180.699847859161 * ( T * ((3.94403120e+00_pr)& + T *((-0.0007927145_pr)& + T *((5.552604e-06_pr)& + T *((-5.1188565e-09_pr)& + T *((1.56701128e-12_pr)))))) + (2.89661790e+03_pr)) Cp(sNO2) = 180.699847859161 * ((3.94403120e+00_pr)& + T *((-1.58542900e-03_pr)& + T *((1.66578120e-05_pr)& + T *((-2.04754260e-08_pr)& + T *(7.83505640e-12_pr))))) dH(sNO2) = 180.699847859161 * ( (3.94403120e+00_pr)& + T *((-1.58542900e-03_pr)& + T *((1.66578120e-05_pr)& + T *((-2.04754260e-08_pr)& + T *((7.83505640e-12_pr))))) ) end if end subroutine compute_thermodata ! --- Thirdbodies --- ! subroutine get_thirdbodies(M,c) implicit none real(pr), dimension(nspec) :: c real(pr), dimension(33) :: M M(mM245) = sum(c) M(mM231) = (9_pr)*c(sH2O) & + (0.5_pr)*c(sO2) & + (1_pr)*c(sH2) & + (2_pr)*c(sCO) & + (-1_pr)*c(sN2) & + sum(c) M(mM5) = (10.89_pr)*c(sH2O) & + (1.18_pr)*c(sCO2) & + (-0.15_pr)*c(sO2) & + (0.0900000000000001_pr)*c(sCO) & + sum(c) M(mM10) = (5_pr)*c(sH2O) & + (1_pr)*c(sCO2) & + (1_pr)*c(sCH4) & + (2_pr)*c(sC2H6) & + (1_pr)*c(sH2) & + (0.5_pr)*c(sCO) & + sum(c) M(mM8) = (2.6_pr)*c(sCO2) & + (1_pr)*c(sH2) & + (0.75_pr)*c(sCO) & + (-1_pr)*c(sH2O) & + sum(c) M(mM19) = (5_pr)*c(sH2O) & + (1_pr)*c(sCO2) & + (1_pr)*c(sCH4) & + (2_pr)*c(sC2H6) & + (1_pr)*c(sH2) & + (0.5_pr)*c(sCO) & + sum(c) M(mM243) = sum(c) M(mM244) = sum(c) M(mM12) = (5_pr)*c(sH2O) & + (1_pr)*c(sCO2) & + (1_pr)*c(sCH4) & + (2_pr)*c(sC2H6) & + (1_pr)*c(sH2) & + (0.5_pr)*c(sCO) & + sum(c) M(mM232) = (9_pr)*c(sH2O) & + (0.5_pr)*c(sO2) & + (1_pr)*c(sH2) & + (2_pr)*c(sCO) & + (-1_pr)*c(sN2) & + sum(c) M(mM30) = (5_pr)*c(sH2O) & + (1_pr)*c(sCO2) & + (1_pr)*c(sCH4) & + (2_pr)*c(sC2H6) & + (2_pr)*c(sC2H4) & + (1_pr)*c(sH2) & + (0.5_pr)*c(sCO) & + sum(c) M(mM13) = (5_pr)*c(sH2O) & + (1_pr)*c(sCO2) & + (1_pr)*c(sCH4) & + (2_pr)*c(sC2H6) & + (1_pr)*c(sH2) & + (0.5_pr)*c(sCO) & + sum(c) M(mM37) = (5_pr)*c(sH2O) & + (1_pr)*c(sCO2) & + (1_pr)*c(sCH4) & + (2_pr)*c(sC2H6) & + (1_pr)*c(sH2) & + (0.5_pr)*c(sCO) & + sum(c) M(mM24) = (5_pr)*c(sH2O) & + (1_pr)*c(sCO2) & + (1_pr)*c(sCH4) & + (2_pr)*c(sC2H6) & + (2_pr)*c(sC2H4) & + (1_pr)*c(sH2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H2) & + sum(c) M(mM17) = (5_pr)*c(sH2O) & + (1_pr)*c(sCO2) & + (1_pr)*c(sCH4) & + (2_pr)*c(sC2H6) & + (1_pr)*c(sH2) & + (0.5_pr)*c(sCO) & + sum(c) M(mM4) = (14.4_pr)*c(sH2O) & + (2.6_pr)*c(sCO2) & + (1.4_pr)*c(sH2) & + (0.75_pr)*c(sCO) & + sum(c) M(mM29) = (5_pr)*c(sH2O) & + (1_pr)*c(sCO2) & + (1_pr)*c(sCH4) & + (2_pr)*c(sC2H6) & + (2_pr)*c(sC2H4) & + (1_pr)*c(sH2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H2) & + sum(c) M(mM233) = (9_pr)*c(sH2O) & + (0.7_pr)*c(sN2) & + (0.5_pr)*c(sO2) & + sum(c) M(mM234) = (9_pr)*c(sH2O) & + (0.7_pr)*c(sN2) & + (0.5_pr)*c(sO2) & + sum(c) M(mM36) = (5_pr)*c(sH2O) & + (1_pr)*c(sCO2) & + (1_pr)*c(sCH4) & + (2_pr)*c(sC2H6) & + (1_pr)*c(sH2) & + (0.5_pr)*c(sCO) & + sum(c) M(mM41) = (5_pr)*c(sH2O) & + (1_pr)*c(sCO2) & + (1_pr)*c(sCH4) & + (2_pr)*c(sC2H6) & + (1_pr)*c(sH2) & + (0.5_pr)*c(sCO) & + sum(c) M(mM1) = (-1_pr)*c(sH2O) & + (-1_pr)*c(sCO2) & + (-1_pr)*c(sH2) & + sum(c) M(mM6) = (5_pr)*c(sH2O) & + (2.6_pr)*c(sCO2) & + (1_pr)*c(sH2) & + (0.75_pr)*c(sCO) & + sum(c) M(mM65) = (5_pr)*c(sH2O) & + (1_pr)*c(sCO2) & + (1_pr)*c(sCH4) & + (1_pr)*c(sH2) & + (0.5_pr)*c(sCO) & + sum(c) M(mM3) = (11_pr)*c(sH2O) & + (2.6_pr)*c(sCO2) & + (1_pr)*c(sH2) & + (0.75_pr)*c(sCO) & + sum(c) M(mM16) = (5_pr)*c(sH2O) & + (1_pr)*c(sCO2) & + (1_pr)*c(sCH4) & + (2_pr)*c(sC2H6) & + (1_pr)*c(sH2) & + (0.5_pr)*c(sCO) & + sum(c) M(mM11) = (5_pr)*c(sH2O) & + (1_pr)*c(sCO2) & + (1_pr)*c(sCH4) & + (2_pr)*c(sC2H6) & + (1_pr)*c(sH2) & + (0.5_pr)*c(sCO) & + sum(c) M(mM7) = (11_pr)*c(sH2O) & + (2.6_pr)*c(sCO2) & + (1_pr)*c(sH2) & + (0.75_pr)*c(sCO) & + sum(c) M(mM2) = (5.3_pr)*c(sH2O) & + (2.6_pr)*c(sCO2) & + (1_pr)*c(sH2) & + (0.75_pr)*c(sCO) & + sum(c) M(mM246) = sum(c) M(mM9) = (5_pr)*c(sH2O) & + (1_pr)*c(sCO2) & + (1_pr)*c(sCH4) & + (2_pr)*c(sC2H6) & + (1_pr)*c(sH2) & + (0.5_pr)*c(sCO) & + sum(c) M(mM28) = (5_pr)*c(sH2O) & + (1_pr)*c(sCO2) & + (1_pr)*c(sCH4) & + (2_pr)*c(sC2H6) & + (2_pr)*c(sC2H4) & + (1_pr)*c(sH2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H2) & + sum(c) end subroutine get_thirdbodies ! --- Rate coefficients --- ! subroutine get_rate_coefficients(k,M,Tloc,Ploc) implicit none real(pr), dimension(nreac) :: k real(pr), dimension(33) :: M real(pr) :: Tloc,Ploc real(pr) :: k8f_0, k8f_inf, FC8f real(pr) :: k11f_0, k11f_inf, FC11f real(pr) :: k35f_0, k35f_inf, FC35f real(pr) :: k55f_0, k55f_inf, FC55f real(pr) :: k58f_0, k58f_inf, FC58f real(pr) :: k74f_0, k74f_inf, FC74f real(pr) :: k76f_0, k76f_inf, FC76f real(pr) :: k79f_0, k79f_inf, FC79f real(pr) :: k80f_0, k80f_inf, FC80f real(pr) :: k86f_0, k86f_inf, FC86f real(pr) :: k96f_0, k96f_inf, FC96f real(pr) :: k116f_0, k116f_inf, FC116f real(pr) :: k121f_0, k121f_inf, FC121f real(pr) :: k122f_0, k122f_inf, FC122f real(pr) :: k135f_0, k135f_inf, FC135f real(pr) :: k142f_0, k142f_inf, FC142f real(pr) :: k163f_0, k163f_inf, FC163f real(pr) :: k178f_0, k178f_inf, FC178f real(pr) :: k194f_0, k194f_inf, FC194f real(pr) :: k8b_0, k8b_inf, FC8b real(pr) :: k11b_0, k11b_inf, FC11b real(pr) :: k35b_0, k35b_inf, FC35b real(pr) :: k55b_0, k55b_inf, FC55b real(pr) :: k58b_0, k58b_inf, FC58b real(pr) :: k74b_0, k74b_inf, FC74b real(pr) :: k76b_0, k76b_inf, FC76b real(pr) :: k79b_0, k79b_inf, FC79b real(pr) :: k80b_0, k80b_inf, FC80b real(pr) :: k86b_0, k86b_inf, FC86b real(pr) :: k96b_0, k96b_inf, FC96b real(pr) :: k116b_0, k116b_inf, FC116b real(pr) :: k121b_0, k121b_inf, FC121b real(pr) :: k122b_0, k122b_inf, FC122b real(pr) :: k135b_0, k135b_inf, FC135b real(pr) :: k142b_0, k142b_inf, FC142b real(pr) :: k163b_0, k163b_inf, FC163b real(pr) :: k178b_0, k178b_inf, FC178b real(pr) :: k194b_0, k194b_inf, FC194b ! Rate coefficients k(r1f) = (1.78000000e+06_pr)*Tloc**(-1.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r2f) = (9.00000000e+04_pr)*Tloc**(-0.600_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r3f) = (1.20000000e+05_pr)*Tloc**(-1.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r4f) = (4.58900000e-02_pr)*Tloc**(2.700_pr)*& exp(-(2.619e+04_pr)/(8.314_pr*Tloc)) k(r5f) = (9.42800000e+06_pr)*Tloc**(-1.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r6f) = (3.97300000e-02_pr)*Tloc**(2.400_pr)*& exp(-(-8.828e+03_pr)/(8.314_pr*Tloc)) k(r7f) = (1.73400000e+02_pr)*Tloc**(1.510_pr)*& exp(-(1.435e+04_pr)/(8.314_pr*Tloc)) k8f_0 = (2.01000000e+05_pr)*Tloc**(-0.584_pr)*& exp(-(-9.594e+03_pr)/(8.314_pr*Tloc)) k8f_inf = (1.11000000e+08_pr)*Tloc**(-0.370_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) FC8f = (2.654e-01_pr)*& exp(-Tloc/(9.400e+01_pr)) + (7.346e-01_pr)*& exp(-Tloc/(1.756e+03_pr)) + (1.000e+00_pr)*& exp(-(5.182e+03_pr)/Tloc) k(r8f) =& getlindratecoeff & (Tloc, k8f_0, k8f_inf, FC8f, M(mM6), Ploc ) k(r9f) = (4.40000000e+10_pr)*Tloc**(-2.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r10f) = (5.62400000e+07_pr)*Tloc**(-1.250_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k11f_0 = (6.32800000e+07_pr)*Tloc**(-1.400_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k11f_inf = (5.11600000e+06_pr)*Tloc**(0.440_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) FC11f = (5.000e-01_pr)*& exp(-Tloc/(1.000e-30_pr)) + (5.000e-01_pr)*& exp(-Tloc/(1.000e+30_pr)) + (0.000e+00_pr)*& exp(-(0.000e+00_pr)/Tloc) k(r11f) =& getlindratecoeff & (Tloc, k11f_0, k11f_inf, FC11f, M(mM5), Ploc ) k(r12f) = (5.91600000e-01_pr)*Tloc**(2.433_pr)*& exp(-(2.239e+05_pr)/(8.314_pr*Tloc)) k(r13f) = (2.64400000e+10_pr)*Tloc**(-0.671_pr)*& exp(-(7.130e+04_pr)/(8.314_pr*Tloc)) k(r14f) = (1.00000000e+130_pr)*Tloc**(-40.000_pr)*& exp(-(1.456e+05_pr)/(8.314_pr*Tloc)) k(r15f) = (1.12000000e+79_pr)*Tloc**(-22.300_pr)*& exp(-(1.126e+05_pr)/(8.314_pr*Tloc)) k(r16f) = (5.37000000e+64_pr)*Tloc**(-16.720_pr)*& exp(-(1.377e+05_pr)/(8.314_pr*Tloc)) k(r17f) = (1.30000000e+05_pr)*Tloc**(0.000_pr)*& exp(-(-6.820e+03_pr)/(8.314_pr*Tloc)) k(r18f) = (2.51000000e+06_pr)*Tloc**(2.000_pr)*& exp(-(1.674e+05_pr)/(8.314_pr*Tloc)) k(r19f) = (1.41000000e+12_pr)*Tloc**(-1.760_pr)*& exp(-(2.510e+02_pr)/(8.314_pr*Tloc)) k(r20f) = (7.48500000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.234e+03_pr)/(8.314_pr*Tloc)) k(r21f) = (3.65800000e+08_pr)*Tloc**(0.000_pr)*& exp(-(5.021e+04_pr)/(8.314_pr*Tloc)) k(r22f) = (3.97000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(2.807e+03_pr)/(8.314_pr*Tloc)) k(r23f) = (4.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r24f) = (9.63000000e+00_pr)*Tloc**(2.000_pr)*& exp(-(1.661e+04_pr)/(8.314_pr*Tloc)) k(r25f) = (6.05000000e+00_pr)*Tloc**(2.000_pr)*& exp(-(2.176e+04_pr)/(8.314_pr*Tloc)) k(r26f) = (2.41000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.661e+04_pr)/(8.314_pr*Tloc)) k(r27f) = (2.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(1.787e+03_pr)/(8.314_pr*Tloc)) k(r28f) = (2.67000000e+35_pr)*Tloc**(-7.000_pr)*& exp(-(1.573e+05_pr)/(8.314_pr*Tloc)) k(r29f) = (5.70000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r30f) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r31f) = (5.71000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(-3.159e+03_pr)/(8.314_pr*Tloc)) k(r32f) = (1.10700000e+02_pr)*Tloc**(1.790_pr)*& exp(-(6.987e+03_pr)/(8.314_pr*Tloc)) k(r33f) = (3.30000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r34f) = (1.06000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(6.276e+03_pr)/(8.314_pr*Tloc)) k35f_0 = (3.20000000e+15_pr)*Tloc**(-3.140_pr)*& exp(-(5.146e+03_pr)/(8.314_pr*Tloc)) k35f_inf = (2.50000000e+10_pr)*Tloc**(-0.800_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) FC35f = (3.200e-01_pr)*& exp(-Tloc/(7.800e+01_pr)) + (6.800e-01_pr)*& exp(-Tloc/(1.995e+03_pr)) + (1.000e+00_pr)*& exp(-(5.590e+03_pr)/Tloc) k(r35f) =& getlindratecoeff & (Tloc, k35f_0, k35f_inf, FC35f, M(mM12), Ploc ) k(r36f) = (2.64000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(6.276e+03_pr)/(8.314_pr*Tloc)) k(r38f) = (8.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r40f) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r41f) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r42f) = (5.00000000e-01_pr)*Tloc**(2.000_pr)*& exp(-(3.025e+04_pr)/(8.314_pr*Tloc)) k(r43f) = (1.13000000e+01_pr)*Tloc**(2.000_pr)*& exp(-(1.255e+04_pr)/(8.314_pr*Tloc)) k(r44f) = (7.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r45f) = (1.50000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r46f) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r47f) = (1.20000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r48f) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r49f) = (1.50000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r50f) = (2.80000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r52f) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r53f) = (1.34000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r54f) = (2.45000000e-02_pr)*Tloc**(2.470_pr)*& exp(-(2.167e+04_pr)/(8.314_pr*Tloc)) k55f_0 = (2.47700000e+21_pr)*Tloc**(-4.760_pr)*& exp(-(1.021e+04_pr)/(8.314_pr*Tloc)) k55f_inf = (1.27000000e+10_pr)*Tloc**(-0.630_pr)*& exp(-(1.602e+03_pr)/(8.314_pr*Tloc)) FC55f = (2.170e-01_pr)*& exp(-Tloc/(7.400e+01_pr)) + (7.830e-01_pr)*& exp(-Tloc/(2.941e+03_pr)) + (1.000e+00_pr)*& exp(-(6.964e+03_pr)/Tloc) k(r55f) =& getlindratecoeff & (Tloc, k55f_0, k55f_inf, FC55f, M(mM17), Ploc ) k(r56f) = (4.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r57f) = (4.99000000e+06_pr)*Tloc**(0.100_pr)*& exp(-(4.435e+04_pr)/(8.314_pr*Tloc)) k58f_0 = (1.77000000e+38_pr)*Tloc**(-9.670_pr)*& exp(-(2.602e+04_pr)/(8.314_pr*Tloc)) k58f_inf = (2.12000000e+10_pr)*Tloc**(-0.970_pr)*& exp(-(2.594e+03_pr)/(8.314_pr*Tloc)) FC58f = (4.675e-01_pr)*& exp(-Tloc/(1.510e+02_pr)) + (5.325e-01_pr)*& exp(-Tloc/(1.038e+03_pr)) + (1.000e+00_pr)*& exp(-(4.970e+03_pr)/Tloc) k(r58f) =& getlindratecoeff & (Tloc, k58f_0, k58f_inf, FC58f, M(mM19), Ploc ) k(r59f) = (8.43000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r60f) = (1.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r61f) = (2.50100000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r62f) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r63f) = (1.20000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(-2.385e+03_pr)/(8.314_pr*Tloc)) k(r64f) = (3.60000000e+04_pr)*Tloc**(0.000_pr)*& exp(-(3.740e+04_pr)/(8.314_pr*Tloc)) k(r65f) = (3.08300000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.205e+05_pr)/(8.314_pr*Tloc)) k(r66f) = (5.60000000e+01_pr)*Tloc**(1.600_pr)*& exp(-(2.268e+04_pr)/(8.314_pr*Tloc)) k(r67f) = (2.46000000e+00_pr)*Tloc**(2.000_pr)*& exp(-(3.460e+04_pr)/(8.314_pr*Tloc)) k(r68f) = (1.00000000e+02_pr)*Tloc**(1.600_pr)*& exp(-(1.305e+04_pr)/(8.314_pr*Tloc)) k(r69f) = (6.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r70f) = (1.60000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(-2.385e+03_pr)/(8.314_pr*Tloc)) k(r71f) = (6.60000000e+02_pr)*Tloc**(1.620_pr)*& exp(-(4.536e+04_pr)/(8.314_pr*Tloc)) k(r72f) = (1.02000000e+03_pr)*Tloc**(1.500_pr)*& exp(-(3.598e+04_pr)/(8.314_pr*Tloc)) k(r73f) = (1.11900000e+06_pr)*Tloc**(0.000_pr)*& exp(-(1.996e+05_pr)/(8.314_pr*Tloc)) k74f_0 = (1.17300000e+12_pr)*Tloc**(-2.790_pr)*& exp(-(1.754e+04_pr)/(8.314_pr*Tloc)) k74f_inf = (1.36200000e+04_pr)*Tloc**(0.000_pr)*& exp(-(9.975e+03_pr)/(8.314_pr*Tloc)) FC74f = + (1.000e+00_pr)*& exp(-(0.000e+00_pr)/Tloc) k(r74f) =& getlindratecoeff & (Tloc, k74f_0, k74f_inf, FC74f, M(mM7), Ploc ) k(r75f) = (9.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k76f_0 = (2.69000000e+21_pr)*Tloc**(-5.110_pr)*& exp(-(2.968e+04_pr)/(8.314_pr*Tloc)) k76f_inf = (8.10000000e+05_pr)*Tloc**(0.500_pr)*& exp(-(1.887e+04_pr)/(8.314_pr*Tloc)) FC76f = (4.093e-01_pr)*& exp(-Tloc/(2.750e+02_pr)) + (5.907e-01_pr)*& exp(-Tloc/(1.226e+03_pr)) + (1.000e+00_pr)*& exp(-(5.185e+03_pr)/Tloc) k(r76f) =& getlindratecoeff & (Tloc, k76f_0, k76f_inf, FC76f, M(mM13), Ploc ) k(r77f) = (7.04600000e-02_pr)*Tloc**(2.053_pr)*& exp(-(-1.488e+03_pr)/(8.314_pr*Tloc)) k(r78f) = (5.75700000e+06_pr)*Tloc**(-0.664_pr)*& exp(-(1.388e+03_pr)/(8.314_pr*Tloc)) k79f_0 = (2.69000000e+16_pr)*Tloc**(-3.740_pr)*& exp(-(8.100e+03_pr)/(8.314_pr*Tloc)) k79f_inf = (5.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) FC79f = (4.243e-01_pr)*& exp(-Tloc/(2.370e+02_pr)) + (5.757e-01_pr)*& exp(-Tloc/(1.652e+03_pr)) + (1.000e+00_pr)*& exp(-(5.069e+03_pr)/Tloc) k(r79f) =& getlindratecoeff & (Tloc, k79f_0, k79f_inf, FC79f, M(mM10), Ploc ) k80f_0 = (5.07000000e+15_pr)*Tloc**(-3.420_pr)*& exp(-(3.529e+05_pr)/(8.314_pr*Tloc)) k80f_inf = (4.30000000e+01_pr)*Tloc**(1.500_pr)*& exp(-(3.330e+05_pr)/(8.314_pr*Tloc)) FC80f = (6.800e-02_pr)*& exp(-Tloc/(1.970e+02_pr)) + (9.320e-01_pr)*& exp(-Tloc/(1.540e+03_pr)) + (1.000e+00_pr)*& exp(-(1.030e+04_pr)/Tloc) k(r80f) =& getlindratecoeff & (Tloc, k80f_0, k80f_inf, FC80f, M(mM9), Ploc ) k(r81f) = (1.57000000e-01_pr)*Tloc**(2.180_pr)*& exp(-(7.507e+04_pr)/(8.314_pr*Tloc)) k(r82f) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r83f) = (1.20400000e+04_pr)*Tloc**(0.807_pr)*& exp(-(-3.042e+03_pr)/(8.314_pr*Tloc)) k(r84f) = (3.02000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r85f) = (2.24400000e+12_pr)*Tloc**(-1.000_pr)*& exp(-(7.113e+04_pr)/(8.314_pr*Tloc)) k86f_0 = (1.35000000e+12_pr)*Tloc**(-2.570_pr)*& exp(-(5.962e+03_pr)/(8.314_pr*Tloc)) k86f_inf = (1.09000000e+06_pr)*Tloc**(0.480_pr)*& exp(-(-1.088e+03_pr)/(8.314_pr*Tloc)) FC86f = (2.176e-01_pr)*& exp(-Tloc/(2.710e+02_pr)) + (7.824e-01_pr)*& exp(-Tloc/(2.755e+03_pr)) + (1.000e+00_pr)*& exp(-(6.570e+03_pr)/Tloc) k(r86f) =& getlindratecoeff & (Tloc, k86f_0, k86f_inf, FC86f, M(mM11), Ploc ) k(r87f) = (8.48000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r88f) = (1.20000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r89f) = (1.87000000e+11_pr)*Tloc**(-1.000_pr)*& exp(-(7.113e+04_pr)/(8.314_pr*Tloc)) k(r90f) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r91f) = (2.30000000e+04_pr)*Tloc**(1.050_pr)*& exp(-(1.370e+04_pr)/(8.314_pr*Tloc)) k(r92f) = (9.46000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(-2.155e+03_pr)/(8.314_pr*Tloc)) k(r93f) = (3.90000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.481e+04_pr)/(8.314_pr*Tloc)) k(r94f) = (3.32000000e-03_pr)*Tloc**(2.810_pr)*& exp(-(2.452e+04_pr)/(8.314_pr*Tloc)) k(r95f) = (3.43000000e+03_pr)*Tloc**(1.180_pr)*& exp(-(-1.870e+03_pr)/(8.314_pr*Tloc)) k96f_0 = (2.20000000e+18_pr)*Tloc**(-4.800_pr)*& exp(-(2.326e+04_pr)/(8.314_pr*Tloc)) k96f_inf = (5.40000000e+05_pr)*Tloc**(0.454_pr)*& exp(-(1.088e+04_pr)/(8.314_pr*Tloc)) FC96f = (2.420e-01_pr)*& exp(-Tloc/(9.400e+01_pr)) + (7.580e-01_pr)*& exp(-Tloc/(1.555e+03_pr)) + (1.000e+00_pr)*& exp(-(4.200e+03_pr)/Tloc) k(r96f) =& getlindratecoeff & (Tloc, k96f_0, k96f_inf, FC96f, M(mM16), Ploc ) k(r97f) = (1.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(3.347e+04_pr)/(8.314_pr*Tloc)) k(r98f) = (1.00000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(1.674e+05_pr)/(8.314_pr*Tloc)) k(r99f) = (5.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r100f) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r101f) = (1.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r102f) = (4.28000000e-19_pr)*Tloc**(7.600_pr)*& exp(-(-1.477e+04_pr)/(8.314_pr*Tloc)) k(r103f) = (3.20000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r104f) = (1.60000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r105f) = (5.50000000e+08_pr)*Tloc**(-2.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r106f) = (3.40000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(2.887e+03_pr)/(8.314_pr*Tloc)) k(r107f) = (1.40000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r108f) = (7.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r109f) = (2.68000000e+47_pr)*Tloc**(-12.820_pr)*& exp(-(1.495e+05_pr)/(8.314_pr*Tloc)) k(r110f) = (1.00000000e+01_pr)*Tloc**(2.000_pr)*& exp(-(2.510e+04_pr)/(8.314_pr*Tloc)) k(r111f) = (2.18000000e-10_pr)*Tloc**(4.500_pr)*& exp(-(-4.184e+03_pr)/(8.314_pr*Tloc)) k(r112f) = (4.83000000e-10_pr)*Tloc**(4.000_pr)*& exp(-(-8.368e+03_pr)/(8.314_pr*Tloc)) k(r113f) = (1.63200000e+01_pr)*Tloc**(2.000_pr)*& exp(-(7.950e+03_pr)/(8.314_pr*Tloc)) k(r114f) = (4.08000000e+00_pr)*Tloc**(2.000_pr)*& exp(-(7.950e+03_pr)/(8.314_pr*Tloc)) k(r115f) = (9.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k116f_0 = (2.56500000e+21_pr)*Tloc**(-3.400_pr)*& exp(-(1.498e+05_pr)/(8.314_pr*Tloc)) k116f_inf = (3.86000000e+08_pr)*Tloc**(1.620_pr)*& exp(-(1.550e+05_pr)/(8.314_pr*Tloc)) FC116f = (-9.820e-01_pr)*& exp(-Tloc/(5.384e+03_pr)) + (1.982e+00_pr)*& exp(-Tloc/(4.293e+00_pr)) + (1.000e+00_pr)*& exp(-(-7.950e-02_pr)/Tloc) k(r116f) =& getlindratecoeff & (Tloc, k116f_0, k116f_inf, FC116f, M(mM24), Ploc ) k(r118f) = (4.80000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r119f) = (1.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r120f) = (1.50000000e+18_pr)*Tloc**(-2.830_pr)*& exp(-(7.790e+04_pr)/(8.314_pr*Tloc)) k121f_0 = (4.27000000e+46_pr)*Tloc**(-11.940_pr)*& exp(-(4.088e+04_pr)/(8.314_pr*Tloc)) k121f_inf = (2.50000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) FC121f = (8.250e-01_pr)*& exp(-Tloc/(1.341e+03_pr)) + (1.750e-01_pr)*& exp(-Tloc/(6.000e+04_pr)) + (1.000e+00_pr)*& exp(-(1.014e+04_pr)/Tloc) k(r121f) =& getlindratecoeff & (Tloc, k121f_0, k121f_inf, FC121f, M(mM30), Ploc ) k122f_0 = (1.40000000e+18_pr)*Tloc**(-3.860_pr)*& exp(-(1.389e+04_pr)/(8.314_pr*Tloc)) k122f_inf = (6.08000000e+06_pr)*Tloc**(0.270_pr)*& exp(-(1.172e+03_pr)/(8.314_pr*Tloc)) FC122f = (2.180e-01_pr)*& exp(-Tloc/(2.075e+02_pr)) + (7.820e-01_pr)*& exp(-Tloc/(2.663e+03_pr)) + (1.000e+00_pr)*& exp(-(6.095e+03_pr)/Tloc) k(r122f) =& getlindratecoeff & (Tloc, k122f_0, k122f_inf, FC122f, M(mM29), Ploc ) k(r123f) = (1.34000000e+00_pr)*Tloc**(1.610_pr)*& exp(-(-1.604e+03_pr)/(8.314_pr*Tloc)) k(r124f) = (3.00000000e+05_pr)*Tloc**(0.290_pr)*& exp(-(4.600e+01_pr)/(8.314_pr*Tloc)) k(r126f) = (4.80000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r127f) = (3.01100000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r128f) = (4.60000000e+10_pr)*Tloc**(-1.390_pr)*& exp(-(4.226e+03_pr)/(8.314_pr*Tloc)) k(r129f) = (3.92000000e+05_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r130f) = (1.21000000e+04_pr)*Tloc**(0.000_pr)*& exp(-(-2.494e+03_pr)/(8.314_pr*Tloc)) k(r131f) = (5.07000000e+01_pr)*Tloc**(1.900_pr)*& exp(-(5.418e+04_pr)/(8.314_pr*Tloc)) k(r132f) = (3.84000000e-01_pr)*Tloc**(1.830_pr)*& exp(-(9.200e+02_pr)/(8.314_pr*Tloc)) k(r133f) = (3.60000000e+00_pr)*Tloc**(2.000_pr)*& exp(-(1.046e+04_pr)/(8.314_pr*Tloc)) k(r134f) = (5.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k135f_0 = (2.02700000e+27_pr)*Tloc**(-6.642_pr)*& exp(-(2.414e+04_pr)/(8.314_pr*Tloc)) k135f_inf = (1.36700000e+03_pr)*Tloc**(1.463_pr)*& exp(-(5.669e+03_pr)/(8.314_pr*Tloc)) FC135f = (1.569e+00_pr)*& exp(-Tloc/(2.990e+02_pr)) + (-5.690e-01_pr)*& exp(-Tloc/(9.147e+03_pr)) + (1.000e+00_pr)*& exp(-(-1.524e+02_pr)/Tloc) k(r135f) =& getlindratecoeff & (Tloc, k135f_0, k135f_inf, FC135f, M(mM36), Ploc ) k(r136f) = (2.27000000e-01_pr)*Tloc**(2.000_pr)*& exp(-(3.849e+04_pr)/(8.314_pr*Tloc)) k(r137f) = (4.22000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(2.544e+05_pr)/(8.314_pr*Tloc)) k(r138f) = (1.51000000e+01_pr)*Tloc**(1.900_pr)*& exp(-(1.565e+04_pr)/(8.314_pr*Tloc)) k(r139f) = (1.00000000e+01_pr)*Tloc**(2.000_pr)*& exp(-(3.347e+04_pr)/(8.314_pr*Tloc)) k(r140f) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(2.510e+04_pr)/(8.314_pr*Tloc)) k(r141f) = (1.92000000e+01_pr)*Tloc**(1.830_pr)*& exp(-(9.200e+02_pr)/(8.314_pr*Tloc)) k142f_0 = (1.99000000e+29_pr)*Tloc**(-7.080_pr)*& exp(-(2.797e+04_pr)/(8.314_pr*Tloc)) k142f_inf = (5.21000000e+11_pr)*Tloc**(-0.990_pr)*& exp(-(6.611e+03_pr)/(8.314_pr*Tloc)) FC142f = (1.578e-01_pr)*& exp(-Tloc/(1.250e+02_pr)) + (8.422e-01_pr)*& exp(-Tloc/(2.219e+03_pr)) + (1.000e+00_pr)*& exp(-(6.882e+03_pr)/Tloc) k(r142f) =& getlindratecoeff & (Tloc, k142f_0, k142f_inf, FC142f, M(mM37), Ploc ) k(r143f) = (2.00000000e+04_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r144f) = (8.70000000e+03_pr)*Tloc**(0.000_pr)*& exp(-(4.075e+03_pr)/(8.314_pr*Tloc)) k(r145f) = (1.60400000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r146f) = (2.40000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r147f) = (3.00000000e+05_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r148f) = (3.00000000e+05_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r150f) = (2.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r151f) = (3.54000000e+00_pr)*Tloc**(2.120_pr)*& exp(-(3.640e+03_pr)/(8.314_pr*Tloc)) k(r152f) = (1.15000000e+02_pr)*Tloc**(1.900_pr)*& exp(-(3.151e+04_pr)/(8.314_pr*Tloc)) k(r153f) = (4.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(-2.301e+03_pr)/(8.314_pr*Tloc)) k(r154f) = (6.14000000e+00_pr)*Tloc**(1.740_pr)*& exp(-(4.372e+04_pr)/(8.314_pr*Tloc)) k(r155f) = (8.98000000e+01_pr)*Tloc**(1.920_pr)*& exp(-(2.381e+04_pr)/(8.314_pr*Tloc)) k(r156f) = (1.60000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(3.573e+03_pr)/(8.314_pr*Tloc)) k(r158f) = (1.00000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r159f) = (1.00000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r162f) = (5.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k163f_0 = (3.80000000e+29_pr)*Tloc**(-7.640_pr)*& exp(-(4.979e+04_pr)/(8.314_pr*Tloc)) k163f_inf = (3.30000000e+08_pr)*Tloc**(-0.060_pr)*& exp(-(3.556e+04_pr)/(8.314_pr*Tloc)) FC163f = (6.630e-01_pr)*& exp(-Tloc/(1.707e+03_pr)) + (3.370e-01_pr)*& exp(-Tloc/(3.200e+03_pr)) + (1.000e+00_pr)*& exp(-(4.131e+03_pr)/Tloc) k(r163f) =& getlindratecoeff & (Tloc, k163f_0, k163f_inf, FC163f, M(mM28), Ploc ) k(r164f) = (1.75000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(5.648e+03_pr)/(8.314_pr*Tloc)) k(r165f) = (1.50000000e+03_pr)*Tloc**(1.430_pr)*& exp(-(1.126e+04_pr)/(8.314_pr*Tloc)) k(r166f) = (5.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(3.347e+04_pr)/(8.314_pr*Tloc)) k(r167f) = (1.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(3.347e+04_pr)/(8.314_pr*Tloc)) k(r168f) = (7.50000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(8.368e+03_pr)/(8.314_pr*Tloc)) k(r169f) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.674e+04_pr)/(8.314_pr*Tloc)) k(r170f) = (1.40000000e+05_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r171f) = (1.80000000e+04_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r172f) = (7.80000000e+41_pr)*Tloc**(-9.147_pr)*& exp(-(1.962e+05_pr)/(8.314_pr*Tloc)) k(r173f) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.674e+04_pr)/(8.314_pr*Tloc)) k(r174f) = (9.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r175f) = (1.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(8.368e+03_pr)/(8.314_pr*Tloc)) k(r176f) = (2.66000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k178f_0 = (1.33000000e+48_pr)*Tloc**(-12.000_pr)*& exp(-(2.497e+04_pr)/(8.314_pr*Tloc)) k178f_inf = (2.00000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) FC178f = (9.800e-01_pr)*& exp(-Tloc/(1.097e+03_pr)) + (2.000e-02_pr)*& exp(-Tloc/(1.097e+03_pr)) + (1.000e+00_pr)*& exp(-(6.860e+03_pr)/Tloc) k(r178f) =& getlindratecoeff & (Tloc, k178f_0, k178f_inf, FC178f, M(mM41), Ploc ) k(r179f) = (6.60000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r180f) = (1.73000000e-01_pr)*Tloc**(2.500_pr)*& exp(-(1.042e+04_pr)/(8.314_pr*Tloc)) k(r181f) = (3.10000000e+00_pr)*Tloc**(2.000_pr)*& exp(-(-1.247e+03_pr)/(8.314_pr*Tloc)) k(r182f) = (9.60000000e-03_pr)*Tloc**(2.600_pr)*& exp(-(5.820e+04_pr)/(8.314_pr*Tloc)) k(r183f) = (3.50000000e+01_pr)*Tloc**(1.650_pr)*& exp(-(-4.067e+03_pr)/(8.314_pr*Tloc)) k(r184f) = (2.20000000e-06_pr)*Tloc**(3.500_pr)*& exp(-(2.374e+04_pr)/(8.314_pr*Tloc)) k(r185f) = (1.80000000e+05_pr)*Tloc**(0.700_pr)*& exp(-(2.460e+04_pr)/(8.314_pr*Tloc)) k(r186f) = (8.00000000e+01_pr)*Tloc**(1.650_pr)*& exp(-(1.368e+03_pr)/(8.314_pr*Tloc)) k(r187f) = (8.00000000e+15_pr)*Tloc**(-2.390_pr)*& exp(-(4.678e+04_pr)/(8.314_pr*Tloc)) k(r188f) = (8.00000000e+15_pr)*Tloc**(-2.390_pr)*& exp(-(4.678e+04_pr)/(8.314_pr*Tloc)) k(r189f) = (1.20000000e+02_pr)*Tloc**(1.650_pr)*& exp(-(1.368e+03_pr)/(8.314_pr*Tloc)) k(r190f) = (7.74000000e+30_pr)*Tloc**(-6.180_pr)*& exp(-(1.376e+05_pr)/(8.314_pr*Tloc)) k(r191f) = (1.38000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.920e+02_pr)/(8.314_pr*Tloc)) k(r192f) = (2.10000000e+05_pr)*Tloc**(0.000_pr)*& exp(-(1.859e+04_pr)/(8.314_pr*Tloc)) k(r193f) = (8.55000000e-02_pr)*Tloc**(2.190_pr)*& exp(-(1.590e+02_pr)/(8.314_pr*Tloc)) k194f_0 = (6.60000000e+63_pr)*Tloc**(-16.300_pr)*& exp(-(2.929e+04_pr)/(8.314_pr*Tloc)) k194f_inf = (1.00000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) FC194f = (0.000e+00_pr)*& exp(-Tloc/(1.000e-01_pr)) + (1.000e+00_pr)*& exp(-Tloc/(5.849e+02_pr)) + (1.000e+00_pr)*& exp(-(6.113e+03_pr)/Tloc) k(r194f) =& getlindratecoeff & (Tloc, k194f_0, k194f_inf, FC194f, M(mM65), Ploc ) k(r195f) = (1.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r196f) = (3.89000000e-09_pr)*Tloc**(4.570_pr)*& exp(-(2.199e+04_pr)/(8.314_pr*Tloc)) k(r197f) = (2.60000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(2.561e+04_pr)/(8.314_pr*Tloc)) k(r198f) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r199f) = (5.70700000e-02_pr)*Tloc**(2.430_pr)*& exp(-(2.625e+04_pr)/(8.314_pr*Tloc)) k(r200f) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(3.757e+04_pr)/(8.314_pr*Tloc)) k(r201f) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r202f) = (3.98500000e-01_pr)*Tloc**(2.286_pr)*& exp(-(4.427e+03_pr)/(8.314_pr*Tloc)) k(r203f) = (1.39000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(2.054e+04_pr)/(8.314_pr*Tloc)) k(r204f) = (5.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r205f) = (2.60000000e+04_pr)*Tloc**(0.470_pr)*& exp(-(3.326e+03_pr)/(8.314_pr*Tloc)) k(r206f) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(2.092e+04_pr)/(8.314_pr*Tloc)) k(r207f) = (1.93000000e+00_pr)*Tloc**(2.170_pr)*& exp(-(1.742e+04_pr)/(8.314_pr*Tloc)) k(r208) = (9.52000000e-13_pr)*Tloc**(5.950_pr)*& exp(-(1.987e+04_pr)/(8.314_pr*Tloc)) k(r209) = (1.53000000e-07_pr)*Tloc**(4.760_pr)*& exp(-(5.418e+03_pr)/(8.314_pr*Tloc)) k(r210) = (2.55000000e+08_pr)*Tloc**(0.060_pr)*& exp(-(1.989e+05_pr)/(8.314_pr*Tloc)) k(r211) = (3.55000000e+04_pr)*Tloc**(1.020_pr)*& exp(-(8.920e+02_pr)/(8.314_pr*Tloc)) k(r212) = (2.33000000e-02_pr)*Tloc**(2.940_pr)*& exp(-(6.196e+04_pr)/(8.314_pr*Tloc)) k(r213) = (5.86000000e+25_pr)*Tloc**(-2.660_pr)*& exp(-(3.691e+05_pr)/(8.314_pr*Tloc)) k(r215) = (3.80000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r216) = (6.40000000e+03_pr)*Tloc**(1.000_pr)*& exp(-(2.628e+04_pr)/(8.314_pr*Tloc)) k(r217) = (6.29300000e-02_pr)*Tloc**(0.778_pr)*& exp(-(-3.255e+04_pr)/(8.314_pr*Tloc)) k(r218) = (7.10000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r220) = (1.90000000e+05_pr)*Tloc**(0.000_pr)*& exp(-(1.423e+04_pr)/(8.314_pr*Tloc)) k(r222) = (2.46800000e+08_pr)*Tloc**(0.058_pr)*& exp(-(3.222e+05_pr)/(8.314_pr*Tloc)) k(r224) = (1.35800000e+07_pr)*Tloc**(0.470_pr)*& exp(-(1.744e+05_pr)/(8.314_pr*Tloc)) k(r225) = (5.06800000e+07_pr)*Tloc**(0.123_pr)*& exp(-(1.012e+05_pr)/(8.314_pr*Tloc)) k(r226) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r227) = (1.59500000e-06_pr)*Tloc**(3.444_pr)*& exp(-(1.542e+05_pr)/(8.314_pr*Tloc)) k(r229) = (1.30000000e+00_pr)*Tloc**(1.500_pr)*& exp(-(4.180e+02_pr)/(8.314_pr*Tloc)) k(r231) = (4.60000000e-01_pr)*Tloc**(2.000_pr)*& exp(-(2.720e+04_pr)/(8.314_pr*Tloc)) k(r232) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r233) = (9.20000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r234) = (2.26500000e+01_pr)*Tloc**(1.443_pr)*& exp(-(9.892e+04_pr)/(8.314_pr*Tloc)) k(r235) = (5.00000000e+05_pr)*Tloc**(0.500_pr)*& exp(-(8.368e+03_pr)/(8.314_pr*Tloc)) k(r236) = (6.00000000e+01_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r237) = (7.50000000e+07_pr)*Tloc**(-1.410_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r238) = (1.50000000e-07_pr)*Tloc**(3.523_pr)*& exp(-(1.653e+04_pr)/(8.314_pr*Tloc)) k(r239) = (1.34900000e-01_pr)*Tloc**(1.672_pr)*& exp(-(2.267e+05_pr)/(8.314_pr*Tloc)) k(r240) = (7.20000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r241) = (2.24800000e+04_pr)*Tloc**(0.477_pr)*& exp(-(1.893e+05_pr)/(8.314_pr*Tloc)) k(r242) = (9.60400000e+02_pr)*Tloc**(0.914_pr)*& exp(-(1.180e+05_pr)/(8.314_pr*Tloc)) k(r243) = (1.00000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r244) = (5.94200000e+04_pr)*Tloc**(0.472_pr)*& exp(-(2.168e+05_pr)/(8.314_pr*Tloc)) k(r245) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r246) = (6.42400000e+02_pr)*Tloc**(1.088_pr)*& exp(-(1.589e+05_pr)/(8.314_pr*Tloc)) k(r247) = (1.90000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r248) = (2.20000000e+07_pr)*Tloc**(-0.230_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r249) = (2.10000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(-2.004e+03_pr)/(8.314_pr*Tloc)) k(r250) = (5.77400000e+05_pr)*Tloc**(0.322_pr)*& exp(-(5.182e+05_pr)/(8.314_pr*Tloc)) k(r251) = (5.61900000e+06_pr)*Tloc**(0.358_pr)*& exp(-(2.891e+05_pr)/(8.314_pr*Tloc)) k(r252) = (4.36900000e+03_pr)*Tloc**(1.231_pr)*& exp(-(2.270e+05_pr)/(8.314_pr*Tloc)) k(r253) = (4.80000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r254) = (3.84300000e+07_pr)*Tloc**(0.005_pr)*& exp(-(3.731e+04_pr)/(8.314_pr*Tloc)) k(r255) = (2.70000000e+03_pr)*Tloc**(0.000_pr)*& exp(-(-2.510e+03_pr)/(8.314_pr*Tloc)) k(r256) = (1.11400000e+03_pr)*Tloc**(1.178_pr)*& exp(-(3.975e+05_pr)/(8.314_pr*Tloc)) k(r257) = (6.31900000e+09_pr)*Tloc**(-0.379_pr)*& exp(-(3.686e+05_pr)/(8.314_pr*Tloc)) k(r258) = (1.60000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r259) = (7.59900000e+05_pr)*Tloc**(0.117_pr)*& exp(-(1.028e+05_pr)/(8.314_pr*Tloc)) k(r260) = (5.23500000e+03_pr)*Tloc**(0.605_pr)*& exp(-(9.909e+04_pr)/(8.314_pr*Tloc)) k(r261) = (1.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(4.184e+03_pr)/(8.314_pr*Tloc)) k(r262) = (3.30000000e+06_pr)*Tloc**(0.300_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r263) = (2.20000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(-1.582e+03_pr)/(8.314_pr*Tloc)) k(r264) = (4.81300000e+09_pr)*Tloc**(-0.265_pr)*& exp(-(2.986e+05_pr)/(8.314_pr*Tloc)) k(r266) = (1.50000000e-07_pr)*Tloc**(3.523_pr)*& exp(-(1.653e+04_pr)/(8.314_pr*Tloc)) k(r267) = (1.56600000e+00_pr)*Tloc**(0.945_pr)*& exp(-(1.098e+05_pr)/(8.314_pr*Tloc)) k(r268) = (1.92300000e+09_pr)*Tloc**(-0.348_pr)*& exp(-(2.049e+05_pr)/(8.314_pr*Tloc)) k(r269) = (8.03300000e+00_pr)*Tloc**(1.700_pr)*& exp(-(3.668e+04_pr)/(8.314_pr*Tloc)) k(r270) = (3.60000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r271) = (1.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r272) = (1.76100000e+11_pr)*Tloc**(-0.737_pr)*& exp(-(8.178e+04_pr)/(8.314_pr*Tloc)) k(r273) = (4.50000000e+05_pr)*Tloc**(0.720_pr)*& exp(-(2.741e+03_pr)/(8.314_pr*Tloc)) k(r274) = (1.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.046e+05_pr)/(8.314_pr*Tloc)) k(r275) = (3.31000000e+08_pr)*Tloc**(-0.500_pr)*& exp(-(6.788e+04_pr)/(8.314_pr*Tloc)) k(r276) = (2.74300000e+07_pr)*Tloc**(0.100_pr)*& exp(-(1.444e+05_pr)/(8.314_pr*Tloc)) k(r277) = (1.04900000e+11_pr)*Tloc**(-0.224_pr)*& exp(-(2.067e+05_pr)/(8.314_pr*Tloc)) k(r278) = (3.90000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(-9.960e+02_pr)/(8.314_pr*Tloc)) k(r279) = (8.40000000e+09_pr)*Tloc**(-0.750_pr)*& exp(-(8.075e+03_pr)/(8.314_pr*Tloc)) k(r280) = (8.40000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r281) = (2.84800000e+07_pr)*Tloc**(-0.123_pr)*& exp(-(2.638e+04_pr)/(8.314_pr*Tloc)) k(r282) = (1.00000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r283) = (1.51400000e+18_pr)*Tloc**(-2.076_pr)*& exp(-(3.081e+05_pr)/(8.314_pr*Tloc)) k(r284) = (5.90000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r285) = (9.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.413e+05_pr)/(8.314_pr*Tloc)) k(r286) = (7.70000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r287) = (1.50600000e-02_pr)*Tloc**(2.546_pr)*& exp(-(2.030e+04_pr)/(8.314_pr*Tloc)) k(r288) = (4.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r289) = (5.90000000e+08_pr)*Tloc**(-0.240_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r290) = (7.50000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(-1.628e+03_pr)/(8.314_pr*Tloc)) k(r291) = (1.20000000e-01_pr)*Tloc**(2.770_pr)*& exp(-(-7.481e+03_pr)/(8.314_pr*Tloc)) k(r292) = (3.00000000e-01_pr)*Tloc**(2.450_pr)*& exp(-(9.360e+03_pr)/(8.314_pr*Tloc)) k(r293) = (3.96800000e-01_pr)*Tloc**(2.409_pr)*& exp(-(2.705e+04_pr)/(8.314_pr*Tloc)) k(r294) = (3.70000000e+00_pr)*Tloc**(2.160_pr)*& exp(-(1.125e+05_pr)/(8.314_pr*Tloc)) k(r295) = (6.20000000e-02_pr)*Tloc**(2.640_pr)*& exp(-(-1.828e+03_pr)/(8.314_pr*Tloc)) k(r296) = (5.98300000e+06_pr)*Tloc**(0.216_pr)*& exp(-(-2.298e+04_pr)/(8.314_pr*Tloc)) k(r297) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r298) = (1.24900000e+03_pr)*Tloc**(1.581_pr)*& exp(-(9.699e+04_pr)/(8.314_pr*Tloc)) k(r299) = (3.05300000e+01_pr)*Tloc**(0.211_pr)*& exp(-(-1.329e+04_pr)/(8.314_pr*Tloc)) k(r300) = (3.90000000e+00_pr)*Tloc**(1.830_pr)*& exp(-(4.310e+04_pr)/(8.314_pr*Tloc)) k(r301) = (2.73800000e-07_pr)*Tloc**(3.657_pr)*& exp(-(3.598e+05_pr)/(8.314_pr*Tloc)) k(r302) = (1.40000000e-02_pr)*Tloc**(2.640_pr)*& exp(-(2.084e+04_pr)/(8.314_pr*Tloc)) k(r303) = (5.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r304) = (1.54200000e+08_pr)*Tloc**(-0.356_pr)*& exp(-(5.318e+04_pr)/(8.314_pr*Tloc)) k(r305) = (7.51100000e+10_pr)*Tloc**(-0.512_pr)*& exp(-(3.038e+05_pr)/(8.314_pr*Tloc)) k(r306) = (3.57200000e+04_pr)*Tloc**(0.786_pr)*& exp(-(7.726e+04_pr)/(8.314_pr*Tloc)) k(r307) = (2.76900000e-01_pr)*Tloc**(2.187_pr)*& exp(-(7.793e+04_pr)/(8.314_pr*Tloc)) k(r308) = (1.28900000e-01_pr)*Tloc**(2.488_pr)*& exp(-(9.280e+04_pr)/(8.314_pr*Tloc)) k(r309) = (2.70000000e+03_pr)*Tloc**(1.580_pr)*& exp(-(1.222e+05_pr)/(8.314_pr*Tloc)) k(r310) = (3.39300000e-01_pr)*Tloc**(0.512_pr)*& exp(-(1.389e+05_pr)/(8.314_pr*Tloc)) k(r311) = (9.35000000e+02_pr)*Tloc**(0.510_pr)*& exp(-(5.227e+04_pr)/(8.314_pr*Tloc)) k(r312) = (3.50000000e-03_pr)*Tloc**(2.640_pr)*& exp(-(2.084e+04_pr)/(8.314_pr*Tloc)) k(r313) = (2.28100000e+07_pr)*Tloc**(-0.286_pr)*& exp(-(7.155e+04_pr)/(8.314_pr*Tloc)) k(r314) = (4.43900000e-07_pr)*Tloc**(3.311_pr)*& exp(-(-3.319e+04_pr)/(8.314_pr*Tloc)) k(r315) = (3.00000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(9.205e+04_pr)/(8.314_pr*Tloc)) k(r316) = (5.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r318) = (2.73800000e+14_pr)*Tloc**(-1.468_pr)*& exp(-(1.296e+05_pr)/(8.314_pr*Tloc)) k(r319) = (5.60000000e+11_pr)*Tloc**(-1.730_pr)*& exp(-(3.192e+03_pr)/(8.314_pr*Tloc)) k(r320) = (4.70000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r321) = (2.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(8.368e+04_pr)/(8.314_pr*Tloc)) k(r322) = (1.01800000e+11_pr)*Tloc**(-1.031_pr)*& exp(-(5.565e+04_pr)/(8.314_pr*Tloc)) k(r323) = (4.12400000e+00_pr)*Tloc**(1.985_pr)*& exp(-(1.328e+05_pr)/(8.314_pr*Tloc)) k(r325) = (1.40000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(7.594e+03_pr)/(8.314_pr*Tloc)) k(r326) = (5.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(6.276e+04_pr)/(8.314_pr*Tloc)) k(r327) = (3.10000000e+10_pr)*Tloc**(-0.500_pr)*& exp(-(2.008e+05_pr)/(8.314_pr*Tloc)) k(r328) = (1.40800000e+01_pr)*Tloc**(2.002_pr)*& exp(-(5.530e+04_pr)/(8.314_pr*Tloc)) k(r329) = (2.50000000e+05_pr)*Tloc**(0.000_pr)*& exp(-(-2.958e+03_pr)/(8.314_pr*Tloc)) k(r330) = (2.61100000e+12_pr)*Tloc**(-1.375_pr)*& exp(-(6.183e+05_pr)/(8.314_pr*Tloc)) k(r331) = (5.34900000e+06_pr)*Tloc**(0.422_pr)*& exp(-(3.132e+05_pr)/(8.314_pr*Tloc)) k(r332f) = (1.50000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(2.510e+03_pr)/(8.314_pr*Tloc)) k(r333) = (3.68600000e+07_pr)*Tloc**(-0.025_pr)*& exp(-(4.069e+05_pr)/(8.314_pr*Tloc)) k(r334) = (1.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(3.096e+05_pr)/(8.314_pr*Tloc)) k(r336) = (3.70000000e+01_pr)*Tloc**(1.420_pr)*& exp(-(8.670e+04_pr)/(8.314_pr*Tloc)) k(r337) = (5.17000000e+03_pr)*Tloc**(0.952_pr)*& exp(-(3.281e+05_pr)/(8.314_pr*Tloc)) k(r338) = (2.54400000e+09_pr)*Tloc**(-0.143_pr)*& exp(-(6.118e+05_pr)/(8.314_pr*Tloc)) k(r339) = (2.71800000e+15_pr)*Tloc**(-1.724_pr)*& exp(-(2.092e+05_pr)/(8.314_pr*Tloc)) k(r340) = (7.00000000e+07_pr)*Tloc**(-1.500_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r1b) = (4.80819871e+11_pr)*Tloc**(-0.67_pr)*& exp(-(4.3318e+05_pr)/(8.314_pr*Tloc)) k(r2b) = (2.43111171e+10_pr)*Tloc**(-0.27_pr)*& exp(-(4.3318e+05_pr)/(8.314_pr*Tloc)) k(r3b) = (9.67607344e+12_pr)*Tloc**(-1.14_pr)*& exp(-(4.9789e+05_pr)/(8.314_pr*Tloc)) k(r4b) = (2.79849288e-02_pr)*Tloc**(2.66_pr)*& exp(-(2.0112e+04_pr)/(8.314_pr*Tloc)) k(r5b) = (1.55305962e+12_pr)*Tloc**(-0.71_pr)*& exp(-(4.2710e+05_pr)/(8.314_pr*Tloc)) k(r6b) = (8.12610562e-01_pr)*Tloc**(2.32_pr)*& exp(-(6.0374e+04_pr)/(8.314_pr*Tloc)) k(r7b) = (2.16281384e+03_pr)*Tloc**(1.39_pr)*& exp(-(7.7474e+04_pr)/(8.314_pr*Tloc)) k8b_0 = (8.69188628e+16_pr)*Tloc**(-1.63_pr)*& exp(-(2.0525e+05_pr)/(8.314_pr*Tloc)) k8b_inf = (4.79999690e+19_pr)*Tloc**(-1.42_pr)*& exp(-(2.1485e+05_pr)/(8.314_pr*Tloc)) FC8b = (2.654e-01_pr)*& exp(-Tloc/(9.400e+01_pr)) + (7.346e-01_pr)*& exp(-Tloc/(1.756e+03_pr)) + (1.000e+00_pr)*& exp(-(5.182e+03_pr)/Tloc) k(r8b) =& getlindratecoeff & (Tloc, k8b_0, k8b_inf, FC8b, M(mM6), Ploc ) k(r9b) = (1.48246732e+17_pr)*Tloc**(-1.79_pr)*& exp(-(4.9631e+05_pr)/(8.314_pr*Tloc)) k(r10b) = (1.51917469e+13_pr)*Tloc**(-0.92_pr)*& exp(-(4.3318e+05_pr)/(8.314_pr*Tloc)) k11b_0 = (1.12846856e+14_pr)*Tloc**(-1.44_pr)*& exp(-(2.0481e+05_pr)/(8.314_pr*Tloc)) k11b_inf = (9.12333307e+12_pr)*Tloc**(0.40_pr)*& exp(-(2.0481e+05_pr)/(8.314_pr*Tloc)) FC11b = (5.000e-01_pr)*& exp(-Tloc/(1.000e-30_pr)) + (5.000e-01_pr)*& exp(-Tloc/(1.000e+30_pr)) + (0.000e+00_pr)*& exp(-(0.000e+00_pr)/Tloc) k(r11b) =& getlindratecoeff & (Tloc, k11b_0, k11b_inf, FC11b, M(mM5), Ploc ) k(r12b) = (3.90560892e+00_pr)*Tloc**(2.06_pr)*& exp(-(-4.4718e+03_pr)/(8.314_pr*Tloc)) k(r13b) = (5.40147158e+07_pr)*Tloc**(-0.24_pr)*& exp(-(5.0971e+02_pr)/(8.314_pr*Tloc)) k(r14b) = (1.88933712e+130_pr)*Tloc**(-39.75_pr)*& exp(-(4.3710e+05_pr)/(8.314_pr*Tloc)) k(r15b) = (2.11605758e+79_pr)*Tloc**(-22.05_pr)*& exp(-(4.0410e+05_pr)/(8.314_pr*Tloc)) k(r16b) = (1.01457404e+65_pr)*Tloc**(-16.47_pr)*& exp(-(4.2920e+05_pr)/(8.314_pr*Tloc)) k(r17b) = (5.94887086e+06_pr)*Tloc**(-0.24_pr)*& exp(-(1.5472e+05_pr)/(8.314_pr*Tloc)) k(r18b) = (4.74223618e+06_pr)*Tloc**(2.25_pr)*& exp(-(4.5890e+05_pr)/(8.314_pr*Tloc)) k(r19b) = (2.66396534e+12_pr)*Tloc**(-1.51_pr)*& exp(-(2.9175e+05_pr)/(8.314_pr*Tloc)) k(r20b) = (1.41249855e+04_pr)*Tloc**(0.77_pr)*& exp(-(1.5274e+05_pr)/(8.314_pr*Tloc)) k(r21b) = (1.67392074e+10_pr)*Tloc**(-0.24_pr)*& exp(-(2.1175e+05_pr)/(8.314_pr*Tloc)) k(r22b) = (1.53232402e+04_pr)*Tloc**(0.68_pr)*& exp(-(2.2351e+05_pr)/(8.314_pr*Tloc)) k(r23b) = (3.69492435e+06_pr)*Tloc**(0.33_pr)*& exp(-(2.2229e+05_pr)/(8.314_pr*Tloc)) k(r24b) = (1.94393016e-02_pr)*Tloc**(2.57_pr)*& exp(-(7.7362e+04_pr)/(8.314_pr*Tloc)) k(r25b) = (2.00264328e-02_pr)*Tloc**(2.61_pr)*& exp(-(8.8591e+04_pr)/(8.314_pr*Tloc)) k(r26b) = (1.87772296e+02_pr)*Tloc**(1.26_pr)*& exp(-(2.9807e+05_pr)/(8.314_pr*Tloc)) k(r27b) = (8.25749396e+04_pr)*Tloc**(0.49_pr)*& exp(-(1.3174e+05_pr)/(8.314_pr*Tloc)) k(r28b) = (1.10237544e+34_pr)*Tloc**(-6.51_pr)*& exp(-(2.8725e+05_pr)/(8.314_pr*Tloc)) k(r29b) = (3.63833385e+09_pr)*Tloc**(-0.04_pr)*& exp(-(7.3926e+05_pr)/(8.314_pr*Tloc)) k(r30b) = (7.47149178e+10_pr)*Tloc**(-0.59_pr)*& exp(-(3.7806e+05_pr)/(8.314_pr*Tloc)) k(r31b) = (8.28474285e+11_pr)*Tloc**(-0.95_pr)*& exp(-(2.4841e+05_pr)/(8.314_pr*Tloc)) k(r32b) = (1.74591685e+03_pr)*Tloc**(1.50_pr)*& exp(-(-4.3661e+03_pr)/(8.314_pr*Tloc)) k(r33b) = (1.67899983e+08_pr)*Tloc**(-0.16_pr)*& exp(-(3.0727e+05_pr)/(8.314_pr*Tloc)) k(r34b) = (2.08532039e+06_pr)*Tloc**(0.09_pr)*& exp(-(3.1882e+05_pr)/(8.314_pr*Tloc)) k35b_0 = (4.48047800e+23_pr)*Tloc**(-3.35_pr)*& exp(-(4.6942e+05_pr)/(8.314_pr*Tloc)) k35b_inf = (3.50037343e+18_pr)*Tloc**(-1.01_pr)*& exp(-(4.6428e+05_pr)/(8.314_pr*Tloc)) FC35b = (3.200e-01_pr)*& exp(-Tloc/(7.800e+01_pr)) + (6.800e-01_pr)*& exp(-Tloc/(1.995e+03_pr)) + (1.000e+00_pr)*& exp(-(5.590e+03_pr)/Tloc) k(r35b) =& getlindratecoeff & (Tloc, k35b_0, k35b_inf, FC35b, M(mM12), Ploc ) k(r36b) = (4.41412945e+05_pr)*Tloc**(-0.93_pr)*& exp(-(3.6060e+05_pr)/(8.314_pr*Tloc)) k(r38b) = (7.70382249e+09_pr)*Tloc**(-0.34_pr)*& exp(-(3.8333e+05_pr)/(8.314_pr*Tloc)) k(r40b) = (2.29491725e+12_pr)*Tloc**(-0.78_pr)*& exp(-(3.2605e+05_pr)/(8.314_pr*Tloc)) k(r41b) = (4.33075121e+08_pr)*Tloc**(-0.01_pr)*& exp(-(4.7755e+05_pr)/(8.314_pr*Tloc)) k(r42b) = (2.59168353e+02_pr)*Tloc**(1.46_pr)*& exp(-(6.1347e+04_pr)/(8.314_pr*Tloc)) k(r43b) = (8.93660482e+00_pr)*Tloc**(2.17_pr)*& exp(-(8.7027e+04_pr)/(8.314_pr*Tloc)) k(r44b) = (2.54675958e+10_pr)*Tloc**(-0.60_pr)*& exp(-(6.8376e+04_pr)/(8.314_pr*Tloc)) k(r45b) = (1.01387749e+09_pr)*Tloc**(-0.40_pr)*& exp(-(4.2061e+05_pr)/(8.314_pr*Tloc)) k(r46b) = (2.41621866e+12_pr)*Tloc**(-0.84_pr)*& exp(-(3.6332e+05_pr)/(8.314_pr*Tloc)) k(r47b) = (8.68623621e+05_pr)*Tloc**(0.50_pr)*& exp(-(7.8023e+05_pr)/(8.314_pr*Tloc)) k(r48b) = (2.10571310e+07_pr)*Tloc**(-0.06_pr)*& exp(-(3.7278e+04_pr)/(8.314_pr*Tloc)) k(r49b) = (4.26109245e+07_pr)*Tloc**(0.19_pr)*& exp(-(7.8790e+05_pr)/(8.314_pr*Tloc)) k(r50b) = (6.01555869e-01_pr)*Tloc**(0.29_pr)*& exp(-(2.8392e+05_pr)/(8.314_pr*Tloc)) k(r52b) = (1.33512910e+06_pr)*Tloc**(0.23_pr)*& exp(-(4.8632e+04_pr)/(8.314_pr*Tloc)) k(r53b) = (3.82681780e+09_pr)*Tloc**(-0.70_pr)*& exp(-(1.0384e+05_pr)/(8.314_pr*Tloc)) k(r54b) = (2.13924431e-01_pr)*Tloc**(2.51_pr)*& exp(-(9.7838e+04_pr)/(8.314_pr*Tloc)) k55b_0 = (1.76495847e+30_pr)*Tloc**(-5.00_pr)*& exp(-(4.5273e+05_pr)/(8.314_pr*Tloc)) k55b_inf = (9.04924208e+18_pr)*Tloc**(-0.87_pr)*& exp(-(4.4412e+05_pr)/(8.314_pr*Tloc)) FC55b = (2.170e-01_pr)*& exp(-Tloc/(7.400e+01_pr)) + (7.830e-01_pr)*& exp(-Tloc/(2.941e+03_pr)) + (1.000e+00_pr)*& exp(-(6.964e+03_pr)/Tloc) k(r55b) =& getlindratecoeff & (Tloc, k55b_0, k55b_inf, FC55b, M(mM17), Ploc ) k(r56b) = (3.91915539e+14_pr)*Tloc**(-1.24_pr)*& exp(-(2.7598e+05_pr)/(8.314_pr*Tloc)) k(r57b) = (8.07196807e+11_pr)*Tloc**(-1.08_pr)*& exp(-(7.5291e+03_pr)/(8.314_pr*Tloc)) k58b_0 = (4.90149324e+52_pr)*Tloc**(-11.11_pr)*& exp(-(4.1107e+05_pr)/(8.314_pr*Tloc)) k58b_inf = (5.87071507e+24_pr)*Tloc**(-2.41_pr)*& exp(-(3.8765e+05_pr)/(8.314_pr*Tloc)) FC58b = (4.675e-01_pr)*& exp(-Tloc/(1.510e+02_pr)) + (5.325e-01_pr)*& exp(-Tloc/(1.038e+03_pr)) + (1.000e+00_pr)*& exp(-(4.970e+03_pr)/Tloc) k(r58b) =& getlindratecoeff & (Tloc, k58b_0, k58b_inf, FC58b, M(mM19), Ploc ) k(r59b) = (1.13804332e+10_pr)*Tloc**(-0.28_pr)*& exp(-(2.8887e+05_pr)/(8.314_pr*Tloc)) k(r60b) = (3.99563208e+08_pr)*Tloc**(-0.20_pr)*& exp(-(2.3771e+05_pr)/(8.314_pr*Tloc)) k(r61b) = (8.57420435e+05_pr)*Tloc**(0.48_pr)*& exp(-(-5.2518e+03_pr)/(8.314_pr*Tloc)) k(r62b) = (1.61352147e+12_pr)*Tloc**(-1.02_pr)*& exp(-(2.3109e+05_pr)/(8.314_pr*Tloc)) k(r63b) = (8.25261682e+13_pr)*Tloc**(-1.30_pr)*& exp(-(3.1087e+05_pr)/(8.314_pr*Tloc)) k(r64b) = (9.92851656e+03_pr)*Tloc**(0.15_pr)*& exp(-(2.5548e+05_pr)/(8.314_pr*Tloc)) k(r65b) = (9.53149340e+10_pr)*Tloc**(-1.03_pr)*& exp(-(2.0425e+03_pr)/(8.314_pr*Tloc)) k(r66b) = (1.34755379e+00_pr)*Tloc**(2.02_pr)*& exp(-(5.4707e+04_pr)/(8.314_pr*Tloc)) k(r67b) = (4.83393707e-01_pr)*Tloc**(2.03_pr)*& exp(-(5.6360e+04_pr)/(8.314_pr*Tloc)) k(r68b) = (4.72850625e-01_pr)*Tloc**(2.05_pr)*& exp(-(6.6837e+04_pr)/(8.314_pr*Tloc)) k(r69b) = (3.51490506e+12_pr)*Tloc**(-0.97_pr)*& exp(-(2.5529e+05_pr)/(8.314_pr*Tloc)) k(r70b) = (2.20680425e+06_pr)*Tloc**(-0.03_pr)*& exp(-(5.6654e+04_pr)/(8.314_pr*Tloc)) k(r71b) = (2.50206078e-01_pr)*Tloc**(2.19_pr)*& exp(-(3.6023e+04_pr)/(8.314_pr*Tloc)) k(r72b) = (2.35808926e-01_pr)*Tloc**(2.03_pr)*& exp(-(2.0565e+04_pr)/(8.314_pr*Tloc)) k(r73b) = (1.24876833e+10_pr)*Tloc**(-0.84_pr)*& exp(-(2.3649e+05_pr)/(8.314_pr*Tloc)) k74b_0 = (1.05552303e+24_pr)*Tloc**(-3.77_pr)*& exp(-(5.5232e+05_pr)/(8.314_pr*Tloc)) k74b_inf = (1.22559451e+16_pr)*Tloc**(-0.98_pr)*& exp(-(5.4476e+05_pr)/(8.314_pr*Tloc)) FC74b = + (1.000e+00_pr)*& exp(-(0.000e+00_pr)/Tloc) k(r74b) =& getlindratecoeff & (Tloc, k74b_0, k74b_inf, FC74b, M(mM7), Ploc ) k(r75b) = (6.31713929e+06_pr)*Tloc**(-0.06_pr)*& exp(-(3.7278e+04_pr)/(8.314_pr*Tloc)) k76b_0 = (1.17748018e+36_pr)*Tloc**(-6.88_pr)*& exp(-(3.6663e+05_pr)/(8.314_pr*Tloc)) k76b_inf = (3.54557230e+20_pr)*Tloc**(-1.27_pr)*& exp(-(3.5582e+05_pr)/(8.314_pr*Tloc)) FC76b = (4.093e-01_pr)*& exp(-Tloc/(2.750e+02_pr)) + (5.907e-01_pr)*& exp(-Tloc/(1.226e+03_pr)) + (1.000e+00_pr)*& exp(-(5.185e+03_pr)/Tloc) k(r76b) =& getlindratecoeff & (Tloc, k76b_0, k76b_inf, FC76b, M(mM13), Ploc ) k(r77b) = (3.84896342e+05_pr)*Tloc**(0.78_pr)*& exp(-(1.0619e+05_pr)/(8.314_pr*Tloc)) k(r78b) = (3.14483145e+13_pr)*Tloc**(-1.94_pr)*& exp(-(1.0907e+05_pr)/(8.314_pr*Tloc)) k79b_0 = (1.21483707e+29_pr)*Tloc**(-5.18_pr)*& exp(-(3.2075e+05_pr)/(8.314_pr*Tloc)) k79b_inf = (2.25806148e+20_pr)*Tloc**(-1.44_pr)*& exp(-(3.1265e+05_pr)/(8.314_pr*Tloc)) FC79b = (4.243e-01_pr)*& exp(-Tloc/(2.370e+02_pr)) + (5.757e-01_pr)*& exp(-Tloc/(1.652e+03_pr)) + (1.000e+00_pr)*& exp(-(5.069e+03_pr)/Tloc) k(r79b) =& getlindratecoeff & (Tloc, k79b_0, k79b_inf, FC79b, M(mM10), Ploc ) k80b_0 = (2.36789148e+25_pr)*Tloc**(-4.15_pr)*& exp(-(3.5543e+05_pr)/(8.314_pr*Tloc)) k80b_inf = (2.00827088e+11_pr)*Tloc**(0.77_pr)*& exp(-(3.3553e+05_pr)/(8.314_pr*Tloc)) FC80b = (6.800e-02_pr)*& exp(-Tloc/(1.970e+02_pr)) + (9.320e-01_pr)*& exp(-Tloc/(1.540e+03_pr)) + (1.000e+00_pr)*& exp(-(1.030e+04_pr)/Tloc) k(r80b) =& getlindratecoeff & (Tloc, k80b_0, k80b_inf, FC80b, M(mM9), Ploc ) k(r81b) = (1.61844149e+02_pr)*Tloc**(1.67_pr)*& exp(-(3.3425e+05_pr)/(8.314_pr*Tloc)) k(r82b) = (4.20014248e+12_pr)*Tloc**(-0.73_pr)*& exp(-(4.6888e+05_pr)/(8.314_pr*Tloc)) k(r83b) = (3.34058517e+03_pr)*Tloc**(1.03_pr)*& exp(-(1.3587e+05_pr)/(8.314_pr*Tloc)) k(r84b) = (1.58311500e+07_pr)*Tloc**(0.47_pr)*& exp(-(4.3041e+05_pr)/(8.314_pr*Tloc)) k(r85b) = (3.49137036e+05_pr)*Tloc**(-0.74_pr)*& exp(-(5.2323e+03_pr)/(8.314_pr*Tloc)) k86b_0 = (2.64986090e+20_pr)*Tloc**(-2.71_pr)*& exp(-(3.7578e+05_pr)/(8.314_pr*Tloc)) k86b_inf = (2.13951732e+14_pr)*Tloc**(0.34_pr)*& exp(-(3.6873e+05_pr)/(8.314_pr*Tloc)) FC86b = (2.176e-01_pr)*& exp(-Tloc/(2.710e+02_pr)) + (7.824e-01_pr)*& exp(-Tloc/(2.755e+03_pr)) + (1.000e+00_pr)*& exp(-(6.570e+03_pr)/Tloc) k(r86b) =& getlindratecoeff & (Tloc, k86b_0, k86b_inf, FC86b, M(mM11), Ploc ) k(r87b) = (9.40107258e+08_pr)*Tloc**(0.02_pr)*& exp(-(3.7662e+05_pr)/(8.314_pr*Tloc)) k(r88b) = (5.04332226e+06_pr)*Tloc**(0.59_pr)*& exp(-(3.6728e+05_pr)/(8.314_pr*Tloc)) k(r89b) = (2.90947530e+04_pr)*Tloc**(-0.74_pr)*& exp(-(5.2323e+03_pr)/(8.314_pr*Tloc)) k(r90b) = (7.68887636e+05_pr)*Tloc**(0.55_pr)*& exp(-(3.6121e+05_pr)/(8.314_pr*Tloc)) k(r91b) = (3.16519836e+01_pr)*Tloc**(1.53_pr)*& exp(-(7.7066e+04_pr)/(8.314_pr*Tloc)) k(r92b) = (1.39834574e+14_pr)*Tloc**(-1.33_pr)*& exp(-(3.2091e+05_pr)/(8.314_pr*Tloc)) k(r93b) = (3.27298378e+04_pr)*Tloc**(0.44_pr)*& exp(-(7.2098e+04_pr)/(8.314_pr*Tloc)) k(r94b) = (1.20519483e-02_pr)*Tloc**(2.72_pr)*& exp(-(9.7223e+04_pr)/(8.314_pr*Tloc)) k(r95b) = (5.88758599e+01_pr)*Tloc**(1.53_pr)*& exp(-(1.2462e+05_pr)/(8.314_pr*Tloc)) k96b_0 = (4.06253203e+27_pr)*Tloc**(-5.69_pr)*& exp(-(1.1383e+05_pr)/(8.314_pr*Tloc)) k96b_inf = (9.97166953e+14_pr)*Tloc**(-0.44_pr)*& exp(-(1.0145e+05_pr)/(8.314_pr*Tloc)) FC96b = (2.420e-01_pr)*& exp(-Tloc/(9.400e+01_pr)) + (7.580e-01_pr)*& exp(-Tloc/(1.555e+03_pr)) + (1.000e+00_pr)*& exp(-(4.200e+03_pr)/Tloc) k(r96b) =& getlindratecoeff & (Tloc, k96b_0, k96b_inf, FC96b, M(mM16), Ploc ) k(r97b) = (4.15742932e+05_pr)*Tloc**(-0.14_pr)*& exp(-(3.0006e+04_pr)/(8.314_pr*Tloc)) k(r98b) = (9.08518312e+05_pr)*Tloc**(0.10_pr)*& exp(-(2.3943e+03_pr)/(8.314_pr*Tloc)) k(r99b) = (9.12280389e+03_pr)*Tloc**(1.10_pr)*& exp(-(4.0574e+05_pr)/(8.314_pr*Tloc)) k(r100b) = (2.92562247e+03_pr)*Tloc**(1.22_pr)*& exp(-(3.4262e+05_pr)/(8.314_pr*Tloc)) k(r101b) = (8.92060762e+02_pr)*Tloc**(1.19_pr)*& exp(-(3.3654e+05_pr)/(8.314_pr*Tloc)) k(r102b) = (4.13325925e-22_pr)*Tloc**(8.45_pr)*& exp(-(9.9474e+04_pr)/(8.314_pr*Tloc)) k(r103b) = (2.11452681e+01_pr)*Tloc**(1.46_pr)*& exp(-(4.7667e+04_pr)/(8.314_pr*Tloc)) k(r104b) = (3.62462715e-01_pr)*Tloc**(1.94_pr)*& exp(-(4.2415e+04_pr)/(8.314_pr*Tloc)) k(r105b) = (1.48567938e+14_pr)*Tloc**(-1.67_pr)*& exp(-(4.3318e+05_pr)/(8.314_pr*Tloc)) k(r106b) = (1.55011472e+03_pr)*Tloc**(0.68_pr)*& exp(-(2.7327e+05_pr)/(8.314_pr*Tloc)) k(r107b) = (2.06415292e+05_pr)*Tloc**(0.44_pr)*& exp(-(2.5565e+05_pr)/(8.314_pr*Tloc)) k(r108b) = (4.91333056e+06_pr)*Tloc**(-0.06_pr)*& exp(-(3.7278e+04_pr)/(8.314_pr*Tloc)) k(r109b) = (2.73623827e+61_pr)*Tloc**(-14.56_pr)*& exp(-(3.6045e+05_pr)/(8.314_pr*Tloc)) k(r110b) = (4.46155001e-01_pr)*Tloc**(2.40_pr)*& exp(-(1.0616e+05_pr)/(8.314_pr*Tloc)) k(r111b) = (1.40799720e-06_pr)*Tloc**(3.76_pr)*& exp(-(9.6525e+04_pr)/(8.314_pr*Tloc)) k(r112b) = (9.97850480e-13_pr)*Tloc**(4.82_pr)*& exp(-(2.1967e+05_pr)/(8.314_pr*Tloc)) k(r113b) = (4.20494281e+01_pr)*Tloc**(1.84_pr)*& exp(-(8.9628e+04_pr)/(8.314_pr*Tloc)) k(r114b) = (9.91682586e-06_pr)*Tloc**(3.33_pr)*& exp(-(1.9881e+05_pr)/(8.314_pr*Tloc)) k(r115b) = (8.47797668e+07_pr)*Tloc**(0.19_pr)*& exp(-(2.8622e+05_pr)/(8.314_pr*Tloc)) k116b_0 = (8.94488316e+15_pr)*Tloc**(-3.54_pr)*& exp(-(2.8393e+03_pr)/(8.314_pr*Tloc)) k116b_inf = (1.34609158e+03_pr)*Tloc**(1.48_pr)*& exp(-(8.0393e+03_pr)/(8.314_pr*Tloc)) FC116b = (-9.820e-01_pr)*& exp(-Tloc/(5.384e+03_pr)) + (1.982e+00_pr)*& exp(-Tloc/(4.293e+00_pr)) + (1.000e+00_pr)*& exp(-(-7.950e-02_pr)/Tloc) k(r116b) =& getlindratecoeff & (Tloc, k116b_0, k116b_inf, FC116b, M(mM24), Ploc ) k(r118b) = (5.69659619e+04_pr)*Tloc**(0.98_pr)*& exp(-(5.0818e+05_pr)/(8.314_pr*Tloc)) k(r119b) = (5.47152318e+07_pr)*Tloc**(-0.10_pr)*& exp(-(2.6083e+05_pr)/(8.314_pr*Tloc)) k(r120b) = (5.34069382e+26_pr)*Tloc**(-4.71_pr)*& exp(-(1.4189e+05_pr)/(8.314_pr*Tloc)) k121b_0 = (6.15129011e+61_pr)*Tloc**(-13.48_pr)*& exp(-(4.7308e+05_pr)/(8.314_pr*Tloc)) k121b_inf = (3.60145791e+22_pr)*Tloc**(-1.54_pr)*& exp(-(4.3220e+05_pr)/(8.314_pr*Tloc)) FC121b = (8.250e-01_pr)*& exp(-Tloc/(1.341e+03_pr)) + (1.750e-01_pr)*& exp(-Tloc/(6.000e+04_pr)) + (1.000e+00_pr)*& exp(-(1.014e+04_pr)/Tloc) k(r121b) =& getlindratecoeff & (Tloc, k121b_0, k121b_inf, FC121b, M(mM30), Ploc ) k122b_0 = (1.08653914e+27_pr)*Tloc**(-4.04_pr)*& exp(-(4.8061e+05_pr)/(8.314_pr*Tloc)) k122b_inf = (4.71868427e+15_pr)*Tloc**(0.09_pr)*& exp(-(4.6790e+05_pr)/(8.314_pr*Tloc)) FC122b = (2.180e-01_pr)*& exp(-Tloc/(2.075e+02_pr)) + (7.820e-01_pr)*& exp(-Tloc/(2.663e+03_pr)) + (1.000e+00_pr)*& exp(-(6.095e+03_pr)/Tloc) k(r122b) =& getlindratecoeff & (Tloc, k122b_0, k122b_inf, FC122b, M(mM29), Ploc ) k(r123b) = (8.33326313e+00_pr)*Tloc**(1.43_pr)*& exp(-(5.6245e+04_pr)/(8.314_pr*Tloc)) k(r124b) = (1.77698572e+07_pr)*Tloc**(-0.15_pr)*& exp(-(3.8579e+04_pr)/(8.314_pr*Tloc)) k(r126b) = (1.78091172e+11_pr)*Tloc**(-0.58_pr)*& exp(-(3.8085e+05_pr)/(8.314_pr*Tloc)) k(r127b) = (3.53777746e+08_pr)*Tloc**(0.07_pr)*& exp(-(3.4934e+05_pr)/(8.314_pr*Tloc)) k(r128b) = (5.87451842e+08_pr)*Tloc**(-0.81_pr)*& exp(-(3.6928e+05_pr)/(8.314_pr*Tloc)) k(r129b) = (9.74051356e+08_pr)*Tloc**(-0.37_pr)*& exp(-(2.9556e+05_pr)/(8.314_pr*Tloc)) k(r130b) = (1.15076999e+05_pr)*Tloc**(0.10_pr)*& exp(-(9.7878e+04_pr)/(8.314_pr*Tloc)) k(r131b) = (1.76462743e-02_pr)*Tloc**(2.41_pr)*& exp(-(2.0639e+04_pr)/(8.314_pr*Tloc)) k(r132b) = (5.29090486e-06_pr)*Tloc**(2.80_pr)*& exp(-(1.3809e+04_pr)/(8.314_pr*Tloc)) k(r133b) = (1.56285114e-02_pr)*Tloc**(2.39_pr)*& exp(-(4.0043e+04_pr)/(8.314_pr*Tloc)) k(r134b) = (2.25429839e+15_pr)*Tloc**(-1.97_pr)*& exp(-(9.8825e+04_pr)/(8.314_pr*Tloc)) k135b_0 = (4.68570041e+33_pr)*Tloc**(-6.79_pr)*& exp(-(1.7562e+05_pr)/(8.314_pr*Tloc)) k135b_inf = (3.16001601e+09_pr)*Tloc**(1.31_pr)*& exp(-(1.5715e+05_pr)/(8.314_pr*Tloc)) FC135b = (1.569e+00_pr)*& exp(-Tloc/(2.990e+02_pr)) + (-5.690e-01_pr)*& exp(-Tloc/(9.147e+03_pr)) + (1.000e+00_pr)*& exp(-(-1.524e+02_pr)/Tloc) k(r135b) =& getlindratecoeff & (Tloc, k135b_0, k135b_inf, FC135b, M(mM36), Ploc ) k(r136b) = (2.08409256e-01_pr)*Tloc**(1.94_pr)*& exp(-(1.4285e+04_pr)/(8.314_pr*Tloc)) k(r137b) = (9.69656929e+04_pr)*Tloc**(0.14_pr)*& exp(-(-7.5133e+03_pr)/(8.314_pr*Tloc)) k(r138b) = (3.20500095e-03_pr)*Tloc**(2.37_pr)*& exp(-(-2.3970e+04_pr)/(8.314_pr*Tloc)) k(r139b) = (3.59661406e+00_pr)*Tloc**(2.11_pr)*& exp(-(1.1905e+05_pr)/(8.314_pr*Tloc)) k(r140b) = (1.28467552e+15_pr)*Tloc**(-1.91_pr)*& exp(-(8.6646e+04_pr)/(8.314_pr*Tloc)) k(r141b) = (1.88705700e-04_pr)*Tloc**(2.73_pr)*& exp(-(1.0827e+05_pr)/(8.314_pr*Tloc)) k142b_0 = (3.40666421e+38_pr)*Tloc**(-7.33_pr)*& exp(-(4.4984e+05_pr)/(8.314_pr*Tloc)) k142b_inf = (8.91895505e+20_pr)*Tloc**(-1.24_pr)*& exp(-(4.2848e+05_pr)/(8.314_pr*Tloc)) FC142b = (1.578e-01_pr)*& exp(-Tloc/(1.250e+02_pr)) + (8.422e-01_pr)*& exp(-Tloc/(2.219e+03_pr)) + (1.000e+00_pr)*& exp(-(6.882e+03_pr)/Tloc) k(r142b) =& getlindratecoeff & (Tloc, k142b_0, k142b_inf, FC142b, M(mM37), Ploc ) k(r143b) = (1.54288025e+04_pr)*Tloc**(0.11_pr)*& exp(-(5.3333e+04_pr)/(8.314_pr*Tloc)) k(r144b) = (1.82507754e+05_pr)*Tloc**(0.03_pr)*& exp(-(5.9596e+04_pr)/(8.314_pr*Tloc)) k(r145b) = (1.33861810e+04_pr)*Tloc**(0.91_pr)*& exp(-(3.2569e+05_pr)/(8.314_pr*Tloc)) k(r146b) = (2.29451669e-05_pr)*Tloc**(1.38_pr)*& exp(-(5.0091e+04_pr)/(8.314_pr*Tloc)) k(r147b) = (1.05904562e+07_pr)*Tloc**(-0.13_pr)*& exp(-(2.1487e+05_pr)/(8.314_pr*Tloc)) k(r148b) = (2.87988080e+08_pr)*Tloc**(-0.21_pr)*& exp(-(2.1706e+05_pr)/(8.314_pr*Tloc)) k(r150b) = (2.33706952e+05_pr)*Tloc**(0.48_pr)*& exp(-(2.8170e+05_pr)/(8.314_pr*Tloc)) k(r151b) = (6.96721901e-03_pr)*Tloc**(2.58_pr)*& exp(-(7.8073e+04_pr)/(8.314_pr*Tloc)) k(r152b) = (1.81461290e-02_pr)*Tloc**(2.48_pr)*& exp(-(4.2819e+04_pr)/(8.314_pr*Tloc)) k(r153b) = (2.29633927e+06_pr)*Tloc**(-0.02_pr)*& exp(-(7.7384e+04_pr)/(8.314_pr*Tloc)) k(r154b) = (2.55564546e+00_pr)*Tloc**(1.76_pr)*& exp(-(6.4366e+04_pr)/(8.314_pr*Tloc)) k(r155b) = (8.64109221e-03_pr)*Tloc**(2.46_pr)*& exp(-(2.9041e+04_pr)/(8.314_pr*Tloc)) k(r156b) = (4.61989985e-08_pr)*Tloc**(1.83_pr)*& exp(-(3.5940e+05_pr)/(8.314_pr*Tloc)) k(r158b) = (1.34398568e+02_pr)*Tloc**(1.54_pr)*& exp(-(7.1903e+04_pr)/(8.314_pr*Tloc)) k(r159b) = (1.41338974e-03_pr)*Tloc**(1.40_pr)*& exp(-(4.2662e+05_pr)/(8.314_pr*Tloc)) k(r162b) = (4.62141618e+08_pr)*Tloc**(0.24_pr)*& exp(-(3.8516e+05_pr)/(8.314_pr*Tloc)) k163b_0 = (4.89173629e+35_pr)*Tloc**(-7.63_pr)*& exp(-(2.0536e+05_pr)/(8.314_pr*Tloc)) k163b_inf = (4.24808678e+14_pr)*Tloc**(-0.05_pr)*& exp(-(1.9113e+05_pr)/(8.314_pr*Tloc)) FC163b = (6.630e-01_pr)*& exp(-Tloc/(1.707e+03_pr)) + (3.370e-01_pr)*& exp(-Tloc/(3.200e+03_pr)) + (1.000e+00_pr)*& exp(-(4.131e+03_pr)/Tloc) k(r163b) =& getlindratecoeff & (Tloc, k163b_0, k163b_inf, FC163b, M(mM28), Ploc ) k(r164b) = (3.59754655e+03_pr)*Tloc**(0.79_pr)*& exp(-(2.0348e+05_pr)/(8.314_pr*Tloc)) k(r165b) = (4.79804484e-04_pr)*Tloc**(2.99_pr)*& exp(-(1.3859e+05_pr)/(8.314_pr*Tloc)) k(r166b) = (3.27083396e+04_pr)*Tloc**(0.62_pr)*& exp(-(2.0517e+04_pr)/(8.314_pr*Tloc)) k(r167b) = (3.98928113e+03_pr)*Tloc**(0.58_pr)*& exp(-(1.4438e+04_pr)/(8.314_pr*Tloc)) k(r168b) = (6.11955446e+04_pr)*Tloc**(0.50_pr)*& exp(-(5.8539e+04_pr)/(8.314_pr*Tloc)) k(r169b) = (4.19674867e+06_pr)*Tloc**(0.32_pr)*& exp(-(2.9435e+05_pr)/(8.314_pr*Tloc)) k(r170b) = (1.93941875e+05_pr)*Tloc**(-0.05_pr)*& exp(-(4.9235e+04_pr)/(8.314_pr*Tloc)) k(r171b) = (1.23352505e-09_pr)*Tloc**(1.71_pr)*& exp(-(1.8983e+05_pr)/(8.314_pr*Tloc)) k(r172b) = (1.93815366e+29_pr)*Tloc**(-7.59_pr)*& exp(-(1.6795e+05_pr)/(8.314_pr*Tloc)) k(r173b) = (2.55928771e+06_pr)*Tloc**(0.29_pr)*& exp(-(2.8827e+05_pr)/(8.314_pr*Tloc)) k(r174b) = (1.43735169e+02_pr)*Tloc**(1.30_pr)*& exp(-(3.7649e+04_pr)/(8.314_pr*Tloc)) k(r175b) = (2.61729703e+07_pr)*Tloc**(0.20_pr)*& exp(-(3.4910e+05_pr)/(8.314_pr*Tloc)) k(r176b) = (6.03518455e+06_pr)*Tloc**(0.38_pr)*& exp(-(1.6340e+05_pr)/(8.314_pr*Tloc)) k178b_0 = (5.38125477e+54_pr)*Tloc**(-11.66_pr)*& exp(-(3.9318e+05_pr)/(8.314_pr*Tloc)) k178b_inf = (8.09211244e+14_pr)*Tloc**(0.34_pr)*& exp(-(3.6821e+05_pr)/(8.314_pr*Tloc)) FC178b = (9.800e-01_pr)*& exp(-Tloc/(1.097e+03_pr)) + (2.000e-02_pr)*& exp(-Tloc/(1.097e+03_pr)) + (1.000e+00_pr)*& exp(-(6.860e+03_pr)/Tloc) k(r178b) =& getlindratecoeff & (Tloc, k178b_0, k178b_inf, FC178b, M(mM41), Ploc ) k(r179b) = (2.86679332e-09_pr)*Tloc**(2.08_pr)*& exp(-(-5.0720e+04_pr)/(8.314_pr*Tloc)) k(r180b) = (1.15498567e-02_pr)*Tloc**(2.49_pr)*& exp(-(7.5394e+04_pr)/(8.314_pr*Tloc)) k(r181b) = (2.58144118e+00_pr)*Tloc**(1.87_pr)*& exp(-(1.2685e+05_pr)/(8.314_pr*Tloc)) k(r182b) = (1.93621466e-01_pr)*Tloc**(1.98_pr)*& exp(-(5.6343e+04_pr)/(8.314_pr*Tloc)) k(r183b) = (2.99784883e-05_pr)*Tloc**(2.73_pr)*& exp(-(1.0099e+05_pr)/(8.314_pr*Tloc)) k(r184b) = (3.87435359e-04_pr)*Tloc**(2.93_pr)*& exp(-(9.8051e+04_pr)/(8.314_pr*Tloc)) k(r185b) = (7.32839968e+03_pr)*Tloc**(0.66_pr)*& exp(-(8.3495e+04_pr)/(8.314_pr*Tloc)) k(r186b) = (2.06040600e-10_pr)*Tloc**(2.61_pr)*& exp(-(-4.9978e+04_pr)/(8.314_pr*Tloc)) k(r187b) = (4.30991785e+09_pr)*Tloc**(-1.03_pr)*& exp(-(8.1305e+04_pr)/(8.314_pr*Tloc)) k(r188b) = (2.50500268e+09_pr)*Tloc**(-0.93_pr)*& exp(-(7.5380e+04_pr)/(8.314_pr*Tloc)) k(r189b) = (9.67747980e-17_pr)*Tloc**(4.07_pr)*& exp(-(-2.1378e+04_pr)/(8.314_pr*Tloc)) k(r190b) = (3.63302100e+23_pr)*Tloc**(-5.11_pr)*& exp(-(8.3871e+04_pr)/(8.314_pr*Tloc)) k(r191b) = (2.12206786e+22_pr)*Tloc**(-1.72_pr)*& exp(-(4.4210e+05_pr)/(8.314_pr*Tloc)) k(r192b) = (6.16574732e+05_pr)*Tloc**(-0.15_pr)*& exp(-(7.1341e+04_pr)/(8.314_pr*Tloc)) k(r193b) = (2.18937163e+00_pr)*Tloc**(1.93_pr)*& exp(-(1.0497e+05_pr)/(8.314_pr*Tloc)) k194b_0 = (3.31731426e+73_pr)*Tloc**(-16.70_pr)*& exp(-(5.0391e+05_pr)/(8.314_pr*Tloc)) k194b_inf = (5.02623373e+17_pr)*Tloc**(-0.40_pr)*& exp(-(4.7462e+05_pr)/(8.314_pr*Tloc)) FC194b = (0.000e+00_pr)*& exp(-Tloc/(1.000e-01_pr)) + (1.000e+00_pr)*& exp(-Tloc/(5.849e+02_pr)) + (1.000e+00_pr)*& exp(-(6.113e+03_pr)/Tloc) k(r194b) =& getlindratecoeff & (Tloc, k194b_0, k194b_inf, FC194b, M(mM65), Ploc ) k(r195b) = (2.81851069e+09_pr)*Tloc**(-0.36_pr)*& exp(-(2.6981e+05_pr)/(8.314_pr*Tloc)) k(r196b) = (2.74399804e-08_pr)*Tloc**(4.40_pr)*& exp(-(5.4095e+04_pr)/(8.314_pr*Tloc)) k(r197b) = (1.41265369e+10_pr)*Tloc**(-0.66_pr)*& exp(-(6.0818e+04_pr)/(8.314_pr*Tloc)) k(r198b) = (1.50566784e+09_pr)*Tloc**(-0.33_pr)*& exp(-(2.5750e+05_pr)/(8.314_pr*Tloc)) k(r199b) = (1.06191107e+03_pr)*Tloc**(1.70_pr)*& exp(-(6.7692e+04_pr)/(8.314_pr*Tloc)) k(r200b) = (1.44101248e+15_pr)*Tloc**(-1.80_pr)*& exp(-(2.9123e+05_pr)/(8.314_pr*Tloc)) k(r201b) = (7.97871532e+12_pr)*Tloc**(-1.09_pr)*& exp(-(1.0600e+05_pr)/(8.314_pr*Tloc)) k(r202b) = (2.67127191e-04_pr)*Tloc**(2.90_pr)*& exp(-(2.6109e+04_pr)/(8.314_pr*Tloc)) k(r203b) = (1.21158082e+08_pr)*Tloc**(-0.40_pr)*& exp(-(7.9018e+04_pr)/(8.314_pr*Tloc)) k(r204b) = (8.97432617e+01_pr)*Tloc**(1.24_pr)*& exp(-(2.4710e+05_pr)/(8.314_pr*Tloc)) k(r205b) = (2.29856864e+09_pr)*Tloc**(-0.67_pr)*& exp(-(2.2178e+05_pr)/(8.314_pr*Tloc)) k(r206b) = (3.18790690e-29_pr)*Tloc**(4.87_pr)*& exp(-(1.6586e+05_pr)/(8.314_pr*Tloc)) k(r207b) = (6.30840850e-06_pr)*Tloc**(3.49_pr)*& exp(-(5.0138e+04_pr)/(8.314_pr*Tloc)) k(r332b) = (1.05285655e+07_pr)*Tloc**(-0.06_pr)*& exp(-(3.9788e+04_pr)/(8.314_pr*Tloc)) end subroutine get_rate_coefficients ! --- Reaction rates --- ! subroutine get_reaction_rates(w,k,m,c,cqss) implicit none real(pr), dimension(nspec) :: c real(pr), dimension(nqss) :: cqss real(pr), dimension(nreac) :: w,k real(pr), dimension(33) :: m call molar_mass w(r1f) = k(r1f) * c(sH)**2.000000000_pr * m(mM1) w(r2f) = k(r2f) * c(sH)**2.000000000_pr * c(sH2) w(r3f) = k(r3f) * c(sO)**2.000000000_pr * m(mM4) w(r4f) = k(r4f) * c(sO) * c(sH2) w(r5f) = k(r5f) * c(sO) * c(sH) * m(mM3) w(r6f) = k(r6f) * c(sOH)**2.000000000_pr w(r7f) = k(r7f) * c(sOH) * c(sH2) w(r8f) = k(r8f) * c(sOH)**2.000000000_pr w(r9f) = k(r9f) * c(sH) * c(sOH) * m(mM2) w(r10f) = k(r10f) * c(sH)**2.000000000_pr * c(sH2O) w(r11f) = k(r11f) * c(sH) * c(sO2) w(r12f) = k(r12f) * c(sH2) * c(sO2) w(r13f) = k(r13f) * c(sH) * c(sO2) w(r14f) = k(r14f) * c(sOH) * c(sHO2) w(r15f) = k(r15f) * c(sOH) * c(sHO2) w(r16f) = k(r16f) * c(sOH) * c(sHO2) w(r17f) = k(r17f) * c(sHO2)**2.000000000_pr w(r18f) = k(r18f) * c(sOH) * c(sHO2) w(r19f) = k(r19f) * c(sOH) * c(sHO2) w(r20f) = k(r20f) * c(sHO2) * c(sH) w(r21f) = k(r21f) * c(sHO2)**2.000000000_pr w(r22f) = k(r22f) * c(sHO2) * c(sH) w(r23f) = k(r23f) * c(sHO2) * c(sO) w(r24f) = k(r24f) * c(sH2O2) * c(sO) w(r25f) = k(r25f) * c(sH2O2) * c(sH) w(r26f) = k(r26f) * c(sH2O2) * c(sH) w(r27f) = k(r27f) * c(sH2O2) * c(sOH) w(r28f) = k(r28f) * c(sH2O2) * c(sOH) w(r29f) = k(r29f) * cqss(sCH-nspec) * c(sO) w(r30f) = k(r30f) * cqss(sCH-nspec) * c(sOH) w(r31f) = k(r31f) * cqss(sCH-nspec) * c(sH2O) w(r32f) = k(r32f) * cqss(sCH-nspec) * c(sH2) w(r33f) = k(r33f) * cqss(sCH-nspec) * c(sO2) w(r34f) = k(r34f) * cqss(sCH2-nspec) * c(sO2) w(r35f) = k(r35f) * cqss(sCH2-nspec) * c(sH) w(r36f) = k(r36f) * cqss(sCH2-nspec) * c(sO2) w(r38f) = k(r38f) * cqss(sCH2-nspec) * c(sO) w(r40f) = k(r40f) * cqss(sCH2-nspec) * c(sOH) w(r41f) = k(r41f) * cqss(sCH2-nspec) * c(sHO2) w(r42f) = k(r42f) * cqss(sCH2-nspec) * c(sH2) w(r43f) = k(r43f) * cqss(sCH2-nspec) * c(sOH) w(r44f) = k(r44f) * cqss(sCH2DXCH2-nspec) * c(sH2) w(r45f) = k(r45f) * cqss(sCH2DXCH2-nspec) * c(sO) w(r46f) = k(r46f) * cqss(sCH2DXCH2-nspec) * c(sOH) w(r47f) = k(r47f) * cqss(sCH2DXCH2-nspec) * c(sO2) w(r48f) = k(r48f) * cqss(sCH2DXCH2-nspec) * c(sH2O) w(r49f) = k(r49f) * cqss(sCH2DXCH2-nspec) * c(sO) w(r50f) = k(r50f) * cqss(sCH2DXCH2-nspec) * c(sO2) w(r52f) = k(r52f) * cqss(sCH2DXCH2-nspec) * c(sH) w(r53f) = k(r53f) * c(sCH3) * c(sHO2) w(r54f) = k(r54f) * c(sCH3) * c(sH2O2) w(r55f) = k(r55f) * c(sCH3) * c(sH) w(r56f) = k(r56f) * c(sCH3) * cqss(sCH2-nspec) w(r57f) = k(r57f) * c(sCH3)**2.000000000_pr w(r58f) = k(r58f) * c(sCH3)**2.000000000_pr w(r59f) = k(r59f) * c(sCH3) * c(sO) w(r60f) = k(r60f) * c(sCH3) * c(sHO2) w(r61f) = k(r61f) * c(sCH3) * c(sOH) w(r62f) = k(r62f) * c(sCH3) * cqss(sCH-nspec) w(r63f) = k(r63f) * c(sCH3) * cqss(sCH2DXCH2-nspec) w(r64f) = k(r64f) * c(sCH3) * c(sO2) w(r65f) = k(r65f) * c(sCH3) * c(sO2) w(r66f) = k(r66f) * c(sCH3) * c(sOH) w(r67f) = k(r67f) * c(sCH4) * cqss(sCH2-nspec) w(r68f) = k(r68f) * c(sCH4) * c(sOH) w(r69f) = k(r69f) * c(sCH4) * cqss(sCH-nspec) w(r70f) = k(r70f) * c(sCH4) * cqss(sCH2DXCH2-nspec) w(r71f) = k(r71f) * c(sCH4) * c(sH) w(r72f) = k(r72f) * c(sCH4) * c(sO) w(r73f) = k(r73f) * c(sCO) * c(sO2) w(r74f) = k(r74f) * c(sCO) * c(sO) w(r75f) = k(r75f) * cqss(sCH2DXCH2-nspec) * c(sCO) w(r76f) = k(r76f) * cqss(sCH2-nspec) * c(sCO) w(r77f) = k(r77f) * c(sCO) * c(sOH) w(r78f) = k(r78f) * c(sCO) * c(sOH) w(r79f) = k(r79f) * cqss(sCH-nspec) * c(sCO) w(r80f) = k(r80f) * c(sCO) * c(sH2) w(r81f) = k(r81f) * c(sCO) * c(sHO2) w(r82f) = k(r82f) * cqss(sHCO-nspec) * c(sO) w(r83f) = k(r83f) * cqss(sHCO-nspec) * c(sO2) w(r84f) = k(r84f) * cqss(sHCO-nspec) * c(sOH) w(r85f) = k(r85f) * cqss(sHCO-nspec) * c(sH2O) w(r86f) = k(r86f) * cqss(sHCO-nspec) * c(sH) w(r87f) = k(r87f) * c(sCH3) * cqss(sHCO-nspec) w(r88f) = k(r88f) * cqss(sHCO-nspec) * c(sH) w(r89f) = k(r89f) * cqss(sHCO-nspec) * m(mM8) w(r90f) = k(r90f) * cqss(sHCO-nspec) * c(sO) w(r91f) = k(r91f) * c(sCH2O) * c(sH) w(r92f) = k(r92f) * c(sCH2O) * cqss(sCH-nspec) w(r93f) = k(r93f) * c(sCH2O) * c(sO) w(r94f) = k(r94f) * c(sCH3) * c(sCH2O) w(r95f) = k(r95f) * c(sCH2O) * c(sOH) w(r96f) = k(r96f) * c(sCH2O) * c(sH) w(r97f) = k(r97f) * c(sCH2O) * c(sHO2) w(r98f) = k(r98f) * c(sCH2O) * c(sO2) w(r99f) = k(r99f) * cqss(sCH3O-nspec) * c(sOH) w(r100f) = k(r100f) * cqss(sCH3O-nspec) * c(sH) w(r101f) = k(r101f) * cqss(sCH3O-nspec) * c(sO) w(r102f) = k(r102f) * cqss(sCH3O-nspec) * c(sO2) w(r103f) = k(r103f) * cqss(sCH3O-nspec) * c(sH) w(r104f) = k(r104f) * cqss(sCH3O-nspec) * c(sH) w(r105f) = k(r105f) * c(sH)**2.000000000_pr * c(sCO2) w(r106f) = k(r106f) * cqss(sCH-nspec) * c(sCO2) w(r107f) = k(r107f) * cqss(sCH2DXCH2-nspec) * c(sCO2) w(r108f) = k(r108f) * cqss(sCH2DXCH2-nspec) * c(sCO2) w(r109f) = k(r109f) * c(sC2H2) * c(sCH3) w(r110f) = k(r110f) * c(sC2H2) * cqss(sHCO-nspec) w(r111f) = k(r111f) * c(sC2H2) * c(sOH) w(r112f) = k(r112f) * c(sC2H2) * c(sOH) w(r113f) = k(r113f) * c(sC2H2) * c(sO) w(r114f) = k(r114f) * c(sC2H2) * c(sO) w(r115f) = k(r115f) * cqss(sC2H3-nspec) * c(sH) w(r116f) = k(r116f) * cqss(sC2H3-nspec) w(r118f) = k(r118f) * cqss(sC2H3-nspec) * c(sO) w(r119f) = k(r119f) * cqss(sC2H3-nspec) * c(sHO2) w(r120f) = k(r120f) * cqss(sC2H3-nspec) * c(sCH3) w(r121f) = k(r121f) * cqss(sC2H3-nspec) * c(sCH3) w(r122f) = k(r122f) * cqss(sC2H3-nspec) * c(sH) w(r123f) = k(r123f) * cqss(sC2H3-nspec) * c(sO2) w(r124f) = k(r124f) * cqss(sC2H3-nspec) * c(sO2) w(r126f) = k(r126f) * cqss(sC2H3-nspec) * c(sO) w(r127f) = k(r127f) * cqss(sC2H3-nspec) * c(sOH) w(r128f) = k(r128f) * cqss(sC2H3-nspec) * c(sO2) w(r129f) = k(r129f) * cqss(sC2H3-nspec) * c(sCH3) w(r130f) = k(r130f) * cqss(sC2H3-nspec) * c(sH2O2) w(r131f) = k(r131f) * c(sC2H4) * c(sH) w(r132f) = k(r132f) * c(sC2H4) * c(sO) w(r133f) = k(r133f) * c(sC2H4) * c(sOH) w(r134f) = k(r134f) * c(sC2H4) * cqss(sCH2DXCH2-nspec) w(r135f) = k(r135f) * c(sC2H4) * c(sH) w(r136f) = k(r136f) * c(sC2H4) * c(sCH3) w(r137f) = k(r137f) * c(sC2H4) * c(sO2) w(r138f) = k(r138f) * c(sC2H4) * c(sO) w(r139f) = k(r139f) * c(sC2H4) * cqss(sHCO-nspec) w(r140f) = k(r140f) * c(sC2H4) * cqss(sCH2-nspec) w(r141f) = k(r141f) * c(sC2H4) * c(sO) w(r142f) = k(r142f) * cqss(sC2H5-nspec) * c(sH) w(r143f) = k(r143f) * cqss(sC2H5-nspec) * c(sO2) w(r144f) = k(r144f) * cqss(sC2H5-nspec) * c(sH2O2) w(r145f) = k(r145f) * cqss(sC2H5-nspec) * c(sO) w(r146f) = k(r146f) * cqss(sC2H5-nspec) * c(sHO2) w(r147f) = k(r147f) * cqss(sC2H5-nspec) * c(sHO2) w(r148f) = k(r148f) * cqss(sC2H5-nspec) * c(sHO2) w(r150f) = k(r150f) * cqss(sC2H5-nspec) * c(sH) w(r151f) = k(r151f) * c(sC2H6) * c(sOH) w(r152f) = k(r152f) * c(sC2H6) * c(sH) w(r153f) = k(r153f) * c(sC2H6) * cqss(sCH2DXCH2-nspec) w(r154f) = k(r154f) * c(sC2H6) * c(sCH3) w(r155f) = k(r155f) * c(sC2H6) * c(sO) w(r156f) = k(r156f) * cqss(sHCCO-nspec) * c(sO2) w(r158f) = k(r158f) * cqss(sHCCO-nspec) * c(sH) w(r159f) = k(r159f) * cqss(sHCCO-nspec) * c(sO) w(r162f) = k(r162f) * c(sCH3) * cqss(sHCCO-nspec) w(r163f) = k(r163f) * c(sCH2CO) * c(sH) w(r164f) = k(r164f) * c(sCH2CO) * c(sO) w(r165f) = k(r165f) * c(sCH2CO) * c(sH) w(r166f) = k(r166f) * c(sCH2CO) * c(sH) w(r167f) = k(r167f) * c(sCH2CO) * c(sO) w(r168f) = k(r168f) * c(sCH2CO) * c(sOH) w(r169f) = k(r169f) * cqss(sCH2CHO-nspec) * c(sH) w(r170f) = k(r170f) * cqss(sCH2CHO-nspec) * c(sO2) w(r171f) = k(r171f) * cqss(sCH2CHO-nspec) * c(sO2) w(r172f) = k(r172f) * cqss(sCH2CHO-nspec) w(r173f) = k(r173f) * cqss(sCH2CHO-nspec) * c(sO) w(r174f) = k(r174f) * cqss(sCH2CHO-nspec) * c(sH) w(r175f) = k(r175f) * cqss(sCH2CHO-nspec) * c(sOH) w(r176f) = k(r176f) * cqss(sAXXC3H5-nspec) * c(sHO2) w(r178f) = k(r178f) * cqss(sAXXC3H5-nspec) * c(sH) w(r179f) = k(r179f) * cqss(sAXXC3H5-nspec) * c(sHO2) w(r180f) = k(r180f) * c(sC3H6) * c(sH) w(r181f) = k(r181f) * c(sC3H6) * c(sOH) w(r182f) = k(r182f) * c(sC3H6) * c(sHO2) w(r183f) = k(r183f) * c(sC3H6) * c(sO) w(r184f) = k(r184f) * c(sC3H6) * c(sCH3) w(r185f) = k(r185f) * c(sC3H6) * c(sO) w(r186f) = k(r186f) * c(sC3H6) * c(sO) w(r187f) = k(r187f) * c(sC3H6) * c(sH) w(r188f) = k(r188f) * c(sIXXC4H8) * c(sH) w(r189f) = k(r189f) * c(sIXXC4H8) * c(sO) w(r190f) = k(r190f) * c(sC5H6) * c(sH) w(r191f) = k(r191f) * cqss(sC6H5-nspec) * c(sCH3) w(r192f) = k(r192f) * cqss(sC6H5-nspec) * c(sC2H6) w(r193f) = k(r193f) * cqss(sC6H5-nspec) * c(sCH2O) w(r194f) = k(r194f) * cqss(sC6H5-nspec) * c(sH) w(r195f) = k(r195f) * cqss(sC6H5-nspec) * c(sHO2) w(r196f) = k(r196f) * cqss(sC6H5-nspec) * c(sCH4) w(r197f) = k(r197f) * cqss(sC6H5-nspec) * c(sO2) w(r198f) = k(r198f) * cqss(sC6H5-nspec) * c(sHO2) w(r199f) = k(r199f) * cqss(sC6H5-nspec) * c(sH2) w(r200f) = k(r200f) * cqss(sC6H5-nspec) * c(sO2) w(r201f) = k(r201f) * cqss(sC6H5-nspec) * c(sOH) w(r202f) = k(r202f) * c(sC6H6) * c(sOH) w(r203f) = k(r203f) * c(sC6H6) * c(sO) w(r204f) = k(r204f) * c(sC6H5O) * c(sH) w(r205f) = k(r205f) * c(sC6H5O) * c(sO) w(r206f) = k(r206f) * c(sC6H4O2) * c(sO) w(r207f) = k(r207f) * c(sC6H5CH3) * c(sH) w(r208) = k(r208) * c(sPOSF10325XC11H22) * c(sCH3) w(r209) = k(r209) * c(sPOSF10325XC11H22) * c(sH) w(r210) = k(r210) * c(sPOSF10325XC11H22) * c(sO2) w(r211) = k(r211) * c(sPOSF10325XC11H22) * c(sOH) w(r212) = k(r212) * c(sPOSF10325XC11H22) * c(sHO2) w(r213) = k(r213) * c(sPOSF10325XC11H22) w(r215) = k(r215) * cqss(sN-nspec) * c(sOH) w(r216) = k(r216) * cqss(sN-nspec) * c(sO2) w(r217) = k(r217) * cqss(sN-nspec) * c(sCO) * m(mM244) w(r218) = k(r218) * cqss(sN-nspec) * c(sCH3) w(r220) = k(r220) * cqss(sN-nspec) * c(sCO2) w(r222) = k(r222) * c(sCO) * cqss(sN-nspec) w(r224) = k(r224) * cqss(sN-nspec) * c(sH2O) w(r225) = k(r225) * cqss(sN-nspec) * c(sH2) w(r226) = k(r226) * cqss(sNH-nspec) * c(sH) w(r227) = k(r227) * cqss(sNH-nspec) * c(sCO) w(r229) = k(r229) * cqss(sNH-nspec) * c(sO2) w(r231) = k(r231) * cqss(sNH-nspec) * c(sO2) w(r232) = k(r232) * cqss(sNH-nspec) * c(sOH) w(r233) = k(r233) * cqss(sNH-nspec) * c(sO) w(r234) = k(r234) * cqss(sNH-nspec) * c(sCO) w(r235) = k(r235) * cqss(sNH-nspec) * c(sOH) w(r236) = k(r236) * c(sC2H2) * c(sNO) w(r237) = k(r237) * c(sNO) * c(sO) * m(mM233) w(r238) = k(r238) * c(sCH3) * c(sNO) w(r239) = k(r239) * c(sNO) * c(sOH) w(r240) = k(r240) * c(sNO) * cqss(sHCO-nspec) w(r241) = k(r241) * c(sNO) * c(sO2) w(r242) = k(r242) * c(sNO) * c(sOH) w(r243) = k(r243) * cqss(sCH2DXCH2-nspec) * c(sNO) w(r244) = k(r244) * c(sNO) * c(sOH) w(r245) = k(r245) * cqss(sCH2DXCH2-nspec) * c(sNO) w(r246) = k(r246) * c(sNO) * c(sO) w(r247) = k(r247) * cqss(sCH-nspec) * c(sNO) w(r248) = k(r248) * cqss(sNH-nspec) * c(sNO) w(r249) = k(r249) * c(sNO) * c(sHO2) w(r250) = k(r250) * c(sNO) * c(sCO2) w(r251) = k(r251) * c(sNO) * c(sH2O) w(r252) = k(r252) * c(sH2) * c(sNO) w(r253) = k(r253) * cqss(sCH-nspec) * c(sNO) w(r254) = k(r254) * cqss(sCH2-nspec) * c(sNO) w(r255) = k(r255) * c(sNO) * c(sH) * m(mM231) w(r256) = k(r256) * c(sNO) * c(sCO) w(r257) = k(r257) * c(sCO2) * c(sNO) w(r258) = k(r258) * cqss(sHCCO-nspec) * c(sNO) w(r259) = k(r259) * c(sHO2) * c(sNO) w(r260) = k(r260) * c(sNO) * cqss(sHCO-nspec) w(r261) = k(r261) * c(sNO) * cqss(sC2H3-nspec) w(r262) = k(r262) * cqss(sN-nspec) * c(sNO) w(r263) = k(r263) * cqss(sCH2-nspec) * c(sNO) w(r264) = k(r264) * c(sNO) * c(sH) w(r266) = k(r266) * c(sCH3) * c(sNO) w(r267) = k(r267) * c(sNO) * c(sCO) w(r268) = k(r268) * c(sNO) * c(sH) w(r269) = k(r269) * cqss(sHNO-nspec) * c(sO) w(r270) = k(r270) * cqss(sHNO-nspec) * c(sOH) w(r271) = k(r271) * cqss(sHNO-nspec) * c(sO) w(r272) = k(r272) * cqss(sHNO-nspec) * c(sH) w(r273) = k(r273) * cqss(sHNO-nspec) * c(sH) w(r274) = k(r274) * cqss(sHNO-nspec) * c(sO2) w(r275) = k(r275) * c(sC2H2) * cqss(sHNO-nspec) w(r276) = k(r276) * cqss(sHNO-nspec) * c(sCO) w(r277) = k(r277) * cqss(sHNO-nspec) * m(mM232) w(r278) = k(r278) * c(sNO2) * c(sO) w(r279) = k(r279) * c(sNO2) * cqss(sHCO-nspec) w(r280) = k(r280) * c(sNO2) * c(sH) w(r281) = k(r281) * c(sNO2) * c(sOH) w(r282) = k(r282) * c(sNO2) * cqss(sCH-nspec) w(r283) = k(r283) * c(sNO2) * m(mM234) w(r284) = k(r284) * c(sNO2) * cqss(sCH2-nspec) w(r285) = k(r285) * c(sNO2) * c(sCO) w(r286) = k(r286) * cqss(sCN-nspec) * c(sO) w(r287) = k(r287) * cqss(sCN-nspec) * c(sH2O) w(r288) = k(r288) * cqss(sCN-nspec) * c(sOH) w(r289) = k(r289) * cqss(sCN-nspec) * c(sC2H4) w(r290) = k(r290) * cqss(sCN-nspec) * c(sO2) w(r291) = k(r291) * cqss(sCN-nspec) * c(sC2H6) w(r292) = k(r292) * cqss(sCN-nspec) * c(sH2) w(r293) = k(r293) * cqss(sCN-nspec) * c(sOH) w(r294) = k(r294) * cqss(sCN-nspec) * c(sCO2) w(r295) = k(r295) * cqss(sCN-nspec) * c(sCH4) w(r296) = k(r296) * c(sCH3) * cqss(sCN-nspec) w(r297) = k(r297) * cqss(sCN-nspec) * c(sCH2CO) w(r298) = k(r298) * c(sHCN) * c(sH) w(r299) = k(r299) * c(sHCN) * c(sH) * m(mM246) w(r300) = k(r300) * c(sHCN) * c(sOH) w(r301) = k(r301) * c(sHCN) * c(sH2O) w(r302) = k(r302) * c(sHCN) * c(sO) w(r303) = k(r303) * c(sHCN) * cqss(sCH2DXCH2-nspec) w(r304) = k(r304) * cqss(sC2H3-nspec) * c(sHCN) w(r305) = k(r305) * c(sHCN) * c(sO) w(r306) = k(r306) * c(sHCN) * cqss(sN-nspec) w(r307) = k(r307) * c(sCH3) * c(sHCN) w(r308) = k(r308) * cqss(sC2H5-nspec) * c(sHCN) w(r309) = k(r309) * c(sHCN) * c(sO) w(r310) = k(r310) * cqss(sHCO-nspec) * c(sHCN) w(r311) = k(r311) * cqss(sHCCO-nspec) * c(sHCN) w(r312) = k(r312) * c(sHCN) * c(sO) w(r313) = k(r313) * cqss(sHCCO-nspec) * c(sHCN) w(r314) = k(r314) * cqss(sH2CN-nspec) * c(sOH) w(r315) = k(r315) * cqss(sH2CN-nspec) * m(mM245) w(r316) = k(r316) * cqss(sNCO-nspec) * c(sH) w(r318) = k(r318) * cqss(sNCO-nspec) * c(sH) w(r319) = k(r319) * cqss(sNCO-nspec) * c(sNO) w(r320) = k(r320) * cqss(sNCO-nspec) * c(sO) w(r321) = k(r321) * cqss(sNCO-nspec) * c(sO2) w(r322) = k(r322) * cqss(sNCO-nspec) * c(sO) w(r323) = k(r323) * cqss(sNCO-nspec) * c(sCO) w(r325) = k(r325) * cqss(sNCO-nspec) * c(sC2H2) w(r326) = k(r326) * cqss(sNCO-nspec) * c(sOH) w(r327) = k(r327) * cqss(sNCO-nspec) * m(mM243) w(r328) = k(r328) * cqss(sNCO-nspec) * c(sH) w(r329) = k(r329) * cqss(sNCO-nspec) * c(sNO2) w(r330) = k(r330) * c(sN2) * c(sCO2) w(r331) = k(r331) * c(sN2) * c(sO) w(r332f) = k(r332f) * cqss(sCH2DXCH2-nspec) * c(sN2) w(r333) = k(r333) * c(sN2) * c(sOH) w(r334) = k(r334) * c(sN2) * cqss(sCH2-nspec) w(r336) = k(r336) * c(sN2) * cqss(sCH-nspec) w(r337) = k(r337) * c(sN2) * cqss(sCH2-nspec) w(r338) = k(r338) * c(sN2) * c(sH) w(r339) = k(r339) * cqss(sHNO-nspec) * c(sN2) w(r340) = k(r340) * c(sNO) * c(sH) * c(sN2) w(r1b) = k(r1b) * c(sH2) * m(mM1) w(r2b) = k(r2b) * c(sH2)**2.000000000_pr w(r3b) = k(r3b) * c(sO2) * m(mM4) w(r4b) = k(r4b) * c(sH) * c(sOH) w(r5b) = k(r5b) * c(sOH) * m(mM3) w(r6b) = k(r6b) * c(sO) * c(sH2O) w(r7b) = k(r7b) * c(sH) * c(sH2O) w(r8b) = k(r8b) * c(sH2O2) w(r9b) = k(r9b) * c(sH2O) * m(mM2) w(r10b) = k(r10b) * c(sH2) * c(sH2O) w(r11b) = k(r11b) * c(sHO2) w(r12b) = k(r12b) * c(sHO2) * c(sH) w(r13b) = k(r13b) * c(sO) * c(sOH) w(r14b) = k(r14b) * c(sH2O) * c(sO2) w(r15b) = k(r15b) * c(sH2O) * c(sO2) w(r16b) = k(r16b) * c(sH2O) * c(sO2) w(r17b) = k(r17b) * c(sO2) * c(sH2O2) w(r18b) = k(r18b) * c(sH2O) * c(sO2) w(r19b) = k(r19b) * c(sH2O) * c(sO2) w(r20b) = k(r20b) * c(sOH)**2.000000000_pr w(r21b) = k(r21b) * c(sO2) * c(sH2O2) w(r22b) = k(r22b) * c(sO) * c(sH2O) w(r23b) = k(r23b) * c(sOH) * c(sO2) w(r24b) = k(r24b) * c(sOH) * c(sHO2) w(r25b) = k(r25b) * c(sHO2) * c(sH2) w(r26b) = k(r26b) * c(sOH) * c(sH2O) w(r27b) = k(r27b) * c(sHO2) * c(sH2O) w(r28b) = k(r28b) * c(sHO2) * c(sH2O) w(r29b) = k(r29b) * c(sCO) * c(sH) w(r30b) = k(r30b) * cqss(sHCO-nspec) * c(sH) w(r31b) = k(r31b) * c(sCH2O) * c(sH) w(r32b) = k(r32b) * cqss(sCH2-nspec) * c(sH) w(r33b) = k(r33b) * cqss(sHCO-nspec) * c(sO) w(r34b) = k(r34b) * cqss(sHCO-nspec) * c(sOH) w(r35b) = k(r35b) * c(sCH3) w(r36b) = k(r36b) * c(sCO2) * c(sH)**2.000000000_pr w(r38b) = k(r38b) * cqss(sHCO-nspec) * c(sH) w(r40b) = k(r40b) * c(sCH2O) * c(sH) w(r41b) = k(r41b) * c(sCH2O) * c(sOH) w(r42b) = k(r42b) * c(sH) * c(sCH3) w(r43b) = k(r43b) * cqss(sCH-nspec) * c(sH2O) w(r44b) = k(r44b) * c(sCH3) * c(sH) w(r45b) = k(r45b) * cqss(sHCO-nspec) * c(sH) w(r46b) = k(r46b) * c(sCH2O) * c(sH) w(r47b) = k(r47b) * c(sCO) * c(sH2O) w(r48b) = k(r48b) * cqss(sCH2-nspec) * c(sH2O) w(r49b) = k(r49b) * c(sCO) * c(sH2) w(r50b) = k(r50b) * c(sH) * c(sOH) * c(sCO) w(r52b) = k(r52b) * cqss(sCH-nspec) * c(sH2) w(r53b) = k(r53b) * cqss(sCH3O-nspec) * c(sOH) w(r54b) = k(r54b) * c(sCH4) * c(sHO2) w(r55b) = k(r55b) * c(sCH4) w(r56b) = k(r56b) * c(sC2H4) * c(sH) w(r57b) = k(r57b) * c(sH) * cqss(sC2H5-nspec) w(r58b) = k(r58b) * c(sC2H6) w(r59b) = k(r59b) * c(sCH2O) * c(sH) w(r60b) = k(r60b) * c(sCH4) * c(sO2) w(r61b) = k(r61b) * cqss(sCH2DXCH2-nspec) * c(sH2O) w(r62b) = k(r62b) * cqss(sC2H3-nspec) * c(sH) w(r63b) = k(r63b) * c(sC2H4) * c(sH) w(r64b) = k(r64b) * c(sOH) * c(sCH2O) w(r65b) = k(r65b) * c(sO) * cqss(sCH3O-nspec) w(r66b) = k(r66b) * cqss(sCH2-nspec) * c(sH2O) w(r67b) = k(r67b) * c(sCH3)**2.000000000_pr w(r68b) = k(r68b) * c(sCH3) * c(sH2O) w(r69b) = k(r69b) * c(sC2H4) * c(sH) w(r70b) = k(r70b) * c(sCH3)**2.000000000_pr w(r71b) = k(r71b) * c(sCH3) * c(sH2) w(r72b) = k(r72b) * c(sCH3) * c(sOH) w(r73b) = k(r73b) * c(sCO2) * c(sO) w(r74b) = k(r74b) * c(sCO2) w(r75b) = k(r75b) * cqss(sCH2-nspec) * c(sCO) w(r76b) = k(r76b) * c(sCH2CO) w(r77b) = k(r77b) * c(sCO2) * c(sH) w(r78b) = k(r78b) * c(sCO2) * c(sH) w(r79b) = k(r79b) * cqss(sHCCO-nspec) w(r80b) = k(r80b) * c(sCH2O) w(r81b) = k(r81b) * c(sCO2) * c(sOH) w(r82b) = k(r82b) * c(sCO2) * c(sH) w(r83b) = k(r83b) * c(sCO) * c(sHO2) w(r84b) = k(r84b) * c(sCO) * c(sH2O) w(r85b) = k(r85b) * c(sCO) * c(sH) * c(sH2O) w(r86b) = k(r86b) * c(sCH2O) w(r87b) = k(r87b) * c(sCH4) * c(sCO) w(r88b) = k(r88b) * c(sCO) * c(sH2) w(r89b) = k(r89b) * c(sCO) * c(sH) * m(mM8) w(r90b) = k(r90b) * c(sCO) * c(sOH) w(r91b) = k(r91b) * cqss(sHCO-nspec) * c(sH2) w(r92b) = k(r92b) * c(sCH2CO) * c(sH) w(r93b) = k(r93b) * cqss(sHCO-nspec) * c(sOH) w(r94b) = k(r94b) * c(sCH4) * cqss(sHCO-nspec) w(r95b) = k(r95b) * cqss(sHCO-nspec) * c(sH2O) w(r96b) = k(r96b) * cqss(sCH3O-nspec) w(r97b) = k(r97b) * cqss(sHCO-nspec) * c(sH2O2) w(r98b) = k(r98b) * cqss(sHCO-nspec) * c(sHO2) w(r99b) = k(r99b) * c(sCH2O) * c(sH2O) w(r100b) = k(r100b) * c(sCH2O) * c(sH2) w(r101b) = k(r101b) * c(sCH2O) * c(sOH) w(r102b) = k(r102b) * c(sCH2O) * c(sHO2) w(r103b) = k(r103b) * c(sCH3) * c(sOH) w(r104b) = k(r104b) * cqss(sCH2DXCH2-nspec) * c(sH2O) w(r105b) = k(r105b) * c(sH2) * c(sCO2) w(r106b) = k(r106b) * cqss(sHCO-nspec) * c(sCO) w(r107b) = k(r107b) * c(sCH2O) * c(sCO) w(r108b) = k(r108b) * cqss(sCH2-nspec) * c(sCO2) w(r109b) = k(r109b) * cqss(sAXXC3H5-nspec) w(r110b) = k(r110b) * cqss(sC2H3-nspec) * c(sCO) w(r111b) = k(r111b) * c(sCH2CO) * c(sH) w(r112b) = k(r112b) * c(sCH3) * c(sCO) w(r113b) = k(r113b) * cqss(sHCCO-nspec) * c(sH) w(r114b) = k(r114b) * cqss(sCH2-nspec) * c(sCO) w(r115b) = k(r115b) * c(sC2H2) * c(sH2) w(r116b) = k(r116b) * c(sC2H2) * c(sH) w(r118b) = k(r118b) * c(sCH3) * c(sCO) w(r119b) = k(r119b) * cqss(sCH2CHO-nspec) * c(sOH) w(r120b) = k(r120b) * cqss(sAXXC3H5-nspec) * c(sH) w(r121b) = k(r121b) * c(sC3H6) w(r122b) = k(r122b) * c(sC2H4) w(r123b) = k(r123b) * c(sC2H2) * c(sHO2) w(r124b) = k(r124b) * cqss(sCH2CHO-nspec) * c(sO) w(r126b) = k(r126b) * c(sCH2CO) * c(sH) w(r127b) = k(r127b) * c(sC2H2) * c(sH2O) w(r128b) = k(r128b) * cqss(sHCO-nspec) * c(sCH2O) w(r129b) = k(r129b) * c(sC2H2) * c(sCH4) w(r130b) = k(r130b) * c(sC2H4) * c(sHO2) w(r131b) = k(r131b) * cqss(sC2H3-nspec) * c(sH2) w(r132b) = k(r132b) * cqss(sCH2-nspec) * c(sCH2O) w(r133b) = k(r133b) * cqss(sC2H3-nspec) * c(sH2O) w(r134b) = k(r134b) * cqss(sAXXC3H5-nspec) * c(sH) w(r135b) = k(r135b) * cqss(sC2H5-nspec) w(r136b) = k(r136b) * cqss(sC2H3-nspec) * c(sCH4) w(r137b) = k(r137b) * cqss(sC2H3-nspec) * c(sHO2) w(r138b) = k(r138b) * cqss(sC2H3-nspec) * c(sOH) w(r139b) = k(r139b) * cqss(sC2H5-nspec) * c(sCO) w(r140b) = k(r140b) * cqss(sAXXC3H5-nspec) * c(sH) w(r141b) = k(r141b) * c(sCH3) * cqss(sHCO-nspec) w(r142b) = k(r142b) * c(sC2H6) w(r143b) = k(r143b) * c(sC2H4) * c(sHO2) w(r144b) = k(r144b) * c(sC2H6) * c(sHO2) w(r145b) = k(r145b) * c(sCH3) * c(sCH2O) w(r146b) = k(r146b) * c(sCH3) * c(sCH2O) * c(sOH) w(r147b) = k(r147b) * c(sC2H4) * c(sH2O2) w(r148b) = k(r148b) * c(sC2H6) * c(sO2) w(r150b) = k(r150b) * c(sC2H4) * c(sH2) w(r151b) = k(r151b) * cqss(sC2H5-nspec) * c(sH2O) w(r152b) = k(r152b) * cqss(sC2H5-nspec) * c(sH2) w(r153b) = k(r153b) * cqss(sC2H5-nspec) * c(sCH3) w(r154b) = k(r154b) * cqss(sC2H5-nspec) * c(sCH4) w(r155b) = k(r155b) * cqss(sC2H5-nspec) * c(sOH) w(r156b) = k(r156b) * c(sOH) * c(sCO)**2.000000000_pr w(r158b) = k(r158b) * cqss(sCH2DXCH2-nspec) * c(sCO) w(r159b) = k(r159b) * c(sH) * c(sCO)**2.000000000_pr w(r162b) = k(r162b) * c(sC2H4) * c(sCO) w(r163b) = k(r163b) * cqss(sCH2CHO-nspec) w(r164b) = k(r164b) * cqss(sCH2-nspec) * c(sCO2) w(r165b) = k(r165b) * c(sCH3) * c(sCO) w(r166b) = k(r166b) * cqss(sHCCO-nspec) * c(sH2) w(r167b) = k(r167b) * cqss(sHCCO-nspec) * c(sOH) w(r168b) = k(r168b) * cqss(sHCCO-nspec) * c(sH2O) w(r169b) = k(r169b) * c(sCH2CO) * c(sH2) w(r170b) = k(r170b) * c(sCH2CO) * c(sHO2) w(r171b) = k(r171b) * c(sCH2O) * c(sCO) * c(sOH) w(r172b) = k(r172b) * c(sCH3) * c(sCO) w(r173b) = k(r173b) * c(sCH2CO) * c(sOH) w(r174b) = k(r174b) * c(sCH3) * cqss(sHCO-nspec) w(r175b) = k(r175b) * c(sCH2CO) * c(sH2O) w(r176b) = k(r176b) * c(sC3H6) * c(sO2) w(r178b) = k(r178b) * c(sC3H6) w(r179b) = k(r179b) * c(sOH) * cqss(sC2H3-nspec) * c(sCH2O) w(r180b) = k(r180b) * cqss(sAXXC3H5-nspec) * c(sH2) w(r181b) = k(r181b) * cqss(sAXXC3H5-nspec) * c(sH2O) w(r182b) = k(r182b) * cqss(sAXXC3H5-nspec) * c(sH2O2) !w(r183b) = k(r183b) * c(sC2H5) * cqss(sHCO-nspec) !w(r183b) = k(r183b) * 1.0e-09_pr * cqss(sHCO-nspec) w(r183b) = k(r183b) * cqss(sC2H5-nspec) * cqss(sHCO-nspec) w(r184b) = k(r184b) * cqss(sAXXC3H5-nspec) * c(sCH4) w(r185b) = k(r185b) * cqss(sAXXC3H5-nspec) * c(sOH) w(r186b) = k(r186b) * c(sCH2CO) * c(sCH3) * c(sH) w(r187b) = k(r187b) * c(sC2H4) * c(sCH3) w(r188b) = k(r188b) * c(sC3H6) * c(sCH3) w(r189b) = k(r189b) * c(sCH3)**2.000000000_pr & * c(sCH2CO) w(r190b) = k(r190b) * c(sC2H2) * cqss(sAXXC3H5-nspec) w(r191b) = k(r191b) * c(sC6H5CH3) w(r192b) = k(r192b) * c(sC6H6) * cqss(sC2H5-nspec) w(r193b) = k(r193b) * c(sC6H6) * cqss(sHCO-nspec) w(r194b) = k(r194b) * c(sC6H6) w(r195b) = k(r195b) * c(sC6H6) * c(sO2) w(r196b) = k(r196b) * c(sC6H6) * c(sCH3) w(r197b) = k(r197b) * c(sC6H5O) * c(sO) w(r198b) = k(r198b) * c(sC6H5O) * c(sOH) w(r199b) = k(r199b) * c(sC6H6) * c(sH) w(r200b) = k(r200b) * c(sC6H4O2) * c(sH) w(r201b) = k(r201b) * c(sC6H5O) * c(sH) w(r202b) = k(r202b) * cqss(sC6H5-nspec) * c(sH2O) w(r203b) = k(r203b) * c(sC6H5O) * c(sH) w(r204b) = k(r204b) * c(sC5H6) * c(sCO) w(r205b) = k(r205b) * c(sC6H4O2) * c(sH) w(r206b) = k(r206b) * c(sCO)**2.00_pr & * c(sC2H2) * c(sCH2CO) w(r207b) = k(r207b) * c(sC6H6) * c(sCH3) w(r332b) = k(r332b) * cqss(sCH2-nspec) * c(sN2) end subroutine get_reaction_rates ! --- Production rates --- ! subroutine get_production_rates(cdot,w) implicit none real(pr), dimension(nspec) :: cdot real(pr), dimension(nreac) :: w cdot(sN2) = 0.0_pr +& w(r248) +& w(r262) +& w(r306) +& w(r319) -& w(r330) -& w(r331) -& w(r332f) +& w(r332f) -& w(r333) -& w(r334) -& w(r336) -& w(r337) -& w(r338) -& w(r339) +& w(r339) -& w(r340) +& w(r340) -& w(r332b) +& w(r332b) cdot(sH) = 0.0_pr - 2.000_pr *& w(r1f) - 2.000000000_pr *& w(r2f) +& w(r4f) -& w(r5f) +& w(r7f) -& w(r9f) - 2.000000000_pr *& w(r10f) -& w(r11f) +& w(r12f) -& w(r13f) -& w(r20f) -& w(r22f) -& w(r25f) -& w(r26f) +& w(r29f) +& w(r30f) +& w(r31f) +& w(r32f) -& w(r35f) + 2.000000000_pr *& w(r36f) +& w(r38f) +& w(r40f) +& w(r42f) +& w(r44f) +& w(r45f) +& w(r46f) +& w(r50f) -& w(r52f) -& w(r55f) +& w(r56f) +& w(r57f) +& w(r59f) +& w(r62f) +& w(r63f) +& w(r69f) -& w(r71f) +& w(r77f) +& w(r78f) +& w(r82f) +& w(r85f) -& w(r86f) -& w(r88f) +& w(r89f) -& w(r91f) +& w(r92f) -& w(r96f) -& w(r100f) -& w(r103f) -& w(r104f) - 2.000000000_pr *& w(r105f) cdot(sH) = cdot(sH) +& w(r111f) +& w(r113f) -& w(r115f) +& w(r116f) +& w(r120f) -& w(r122f) +& w(r126f) -& w(r131f) +& w(r134f) -& w(r135f) +& w(r140f) -& w(r142f) -& w(r150f) -& w(r152f) -& w(r158f) +& w(r159f) -& w(r163f) -& w(r165f) -& w(r166f) -& w(r169f) -& w(r174f) -& w(r178f) -& w(r180f) +& w(r186f) -& w(r187f) -& w(r188f) -& w(r190f) -& w(r194f) +& w(r199f) +& w(r200f) +& w(r201f) +& w(r203f) -& w(r204f) +& w(r205f) -& w(r207f) + 0.400000000_pr *& w(r208) -& w(r209) + 0.400000000_pr *& w(r209) + 0.400000000_pr *& w(r210) + 0.400000000_pr *& w(r211) + 0.400000000_pr *& w(r212) +& w(r213) +& w(r215) +& w(r218) +& w(r225) -& w(r226) +& w(r232) +& w(r233) +& w(r234) +& w(r242) cdot(sH) = cdot(sH) +& w(r247) +& w(r252) -& w(r255) -& w(r264) -& w(r268) -& w(r272) -& w(r273) +& w(r277) +& w(r279) -& w(r280) +& w(r288) +& w(r292) -& w(r298) -& w(r299) +& w(r302) +& w(r315) -& w(r316) -& w(r318) -& w(r328) -& w(r338) +& w(r339) -& w(r340) + 2.000000000_pr *& w(r1b) + 2.000000000_pr *& w(r2b) -& w(r4b) +& w(r5b) -& w(r7b) +& w(r9b) + 2.000000000_pr *& w(r10b) +& w(r11b) -& w(r12b) +& w(r13b) +& w(r20b) +& w(r22b) +& w(r25b) +& w(r26b) -& w(r29b) -& w(r30b) -& w(r31b) -& w(r32b) +& w(r35b) - 2.000000000_pr *& w(r36b) -& w(r38b) -& w(r40b) -& w(r42b) -& w(r44b) -& w(r45b) -& w(r46b) -& w(r50b) +& w(r52b) cdot(sH) = cdot(sH) +& w(r55b) -& w(r56b) -& w(r57b) -& w(r59b) -& w(r62b) -& w(r63b) -& w(r69b) +& w(r71b) -& w(r77b) -& w(r78b) -& w(r82b) -& w(r85b) +& w(r86b) +& w(r88b) -& w(r89b) +& w(r91b) -& w(r92b) +& w(r96b) +& w(r100b) +& w(r103b) +& w(r104b) + 2.000000000_pr *& w(r105b) -& w(r111b) -& w(r113b) +& w(r115b) -& w(r116b) -& w(r120b) +& w(r122b) -& w(r126b) +& w(r131b) -& w(r134b) +& w(r135b) -& w(r140b) +& w(r142b) +& w(r150b) +& w(r152b) +& w(r158b) -& w(r159b) +& w(r163b) +& w(r165b) +& w(r166b) +& w(r169b) +& w(r174b) +& w(r178b) +& w(r180b) -& w(r186b) +& w(r187b) +& w(r188b) +& w(r190b) +& w(r194b) cdot(sH) = cdot(sH) -& w(r199b) -& w(r200b) -& w(r201b) -& w(r203b) +& w(r204b) -& w(r205b) +& w(r207b) cdot(sH2) = 0.0_pr +& w(r1f) -& w(r2f) + 2.000000000_pr *& w(r2f) -& w(r4f) -& w(r7f) +& w(r10f) -& w(r12f) +& w(r25f) -& w(r32f) -& w(r42f) -& w(r44f) +& w(r49f) +& w(r52f) +& w(r71f) -& w(r80f) +& w(r88f) +& w(r91f) +& w(r100f) +& w(r105f) +& w(r115f) +& w(r131f) +& w(r150f) +& w(r152f) +& w(r166f) +& w(r169f) +& w(r180f) -& w(r199f) +& w(r209) -& w(r225) +& w(r226) -& w(r252) +& w(r273) -& w(r292) +& w(r298) -& w(r1b) - 2.000000000_pr *& w(r2b) +& w(r2b) +& w(r4b) +& w(r7b) -& w(r10b) +& w(r12b) -& w(r25b) +& w(r32b) +& w(r42b) +& w(r44b) -& w(r49b) -& w(r52b) -& w(r71b) +& w(r80b) -& w(r88b) cdot(sH2) = cdot(sH2) -& w(r91b) -& w(r100b) -& w(r105b) -& w(r115b) -& w(r131b) -& w(r150b) -& w(r152b) -& w(r166b) -& w(r169b) -& w(r180b) +& w(r199b) cdot(sO) = 0.0_pr - 2.0000_pr *& w(r3f) -& w(r4f) -& w(r5f) +& w(r6f) +& w(r13f) +& w(r22f) -& w(r23f) -& w(r24f) -& w(r29f) +& w(r33f) -& w(r38f) -& w(r45f) -& w(r49f) -& w(r59f) +& w(r65f) -& w(r72f) +& w(r73f) -& w(r74f) -& w(r82f) -& w(r90f) -& w(r93f) -& w(r101f) -& w(r113f) -& w(r114f) -& w(r118f) +& w(r124f) -& w(r126f) -& w(r132f) -& w(r138f) -& w(r141f) -& w(r145f) -& w(r155f) -& w(r159f) -& w(r164f) -& w(r167f) -& w(r173f) -& w(r183f) -& w(r185f) -& w(r186f) -& w(r189f) +& w(r197f) -& w(r203f) -& w(r205f) -& w(r206f) +& w(r216) +& w(r222) +& w(r227) +& w(r231) -& w(r233) -& w(r237) cdot(sO) = cdot(sO) +& w(r241) +& w(r244) -& w(r246) +& w(r253) +& w(r256) +& w(r262) +& w(r264) -& w(r269) -& w(r271) -& w(r278) +& w(r283) -& w(r286) +& w(r290) +& w(r293) -& w(r302) -& w(r305) -& w(r309) -& w(r312) -& w(r320) -& w(r322) +& w(r328) -& w(r331) + 2.000000000_pr *& w(r3b) +& w(r4b) +& w(r5b) -& w(r6b) -& w(r13b) -& w(r22b) +& w(r23b) +& w(r24b) +& w(r29b) -& w(r33b) +& w(r38b) +& w(r45b) +& w(r49b) +& w(r59b) -& w(r65b) +& w(r72b) -& w(r73b) +& w(r74b) +& w(r82b) +& w(r90b) +& w(r93b) +& w(r101b) +& w(r113b) +& w(r114b) +& w(r118b) -& w(r124b) +& w(r126b) +& w(r132b) cdot(sO) = cdot(sO) +& w(r138b) +& w(r141b) +& w(r145b) +& w(r155b) +& w(r159b) +& w(r164b) +& w(r167b) +& w(r173b) +& w(r183b) +& w(r185b) +& w(r186b) +& w(r189b) -& w(r197b) +& w(r203b) +& w(r205b) +& w(r206b) cdot(sO2) = 0.0_pr +& w(r3f) -& w(r11f) -& w(r12f) -& w(r13f) +& w(r14f) +& w(r15f) +& w(r16f) +& w(r17f) +& w(r18f) +& w(r19f) +& w(r21f) +& w(r23f) -& w(r33f) -& w(r34f) -& w(r36f) -& w(r47f) -& w(r50f) +& w(r60f) -& w(r64f) -& w(r65f) -& w(r73f) -& w(r83f) -& w(r98f) -& w(r102f) -& w(r123f) -& w(r124f) -& w(r128f) -& w(r137f) -& w(r143f) +& w(r148f) -& w(r156f) -& w(r170f) -& w(r171f) +& w(r176f) +& w(r195f) -& w(r197f) -& w(r200f) -& w(r210) -& w(r216) -& w(r229) -& w(r231) +& w(r239) -& w(r241) +& w(r246) +& w(r250) +& w(r259) +& w(r269) -& w(r274) +& w(r278) -& w(r290) cdot(sO2) = cdot(sO2) -& w(r321) +& w(r322) -& w(r3b) +& w(r11b) +& w(r12b) +& w(r13b) -& w(r14b) -& w(r15b) -& w(r16b) -& w(r17b) -& w(r18b) -& w(r19b) -& w(r21b) -& w(r23b) +& w(r33b) +& w(r34b) +& w(r36b) +& w(r47b) +& w(r50b) -& w(r60b) +& w(r64b) +& w(r65b) +& w(r73b) +& w(r83b) +& w(r98b) +& w(r102b) +& w(r123b) +& w(r124b) +& w(r128b) +& w(r137b) +& w(r143b) -& w(r148b) +& w(r156b) +& w(r170b) +& w(r171b) -& w(r176b) -& w(r195b) +& w(r197b) +& w(r200b) cdot(sOH) = 0.0_pr +& w(r4f) +& w(r5f) - 2.000000000_pr *& w(r6f) -& w(r7f) - 2.000000000_pr *& w(r8f) -& w(r9f) +& w(r13f) -& w(r14f) -& w(r15f) -& w(r16f) -& w(r18f) -& w(r19f) + 2.000000000_pr *& w(r20f) +& w(r23f) +& w(r24f) +& w(r26f) -& w(r27f) -& w(r28f) -& w(r30f) +& w(r34f) -& w(r40f) +& w(r41f) -& w(r43f) -& w(r46f) +& w(r50f) +& w(r53f) -& w(r61f) +& w(r64f) -& w(r66f) -& w(r68f) +& w(r72f) -& w(r77f) -& w(r78f) +& w(r81f) -& w(r84f) +& w(r90f) +& w(r93f) -& w(r95f) -& w(r99f) +& w(r101f) +& w(r103f) -& w(r111f) -& w(r112f) +& w(r119f) -& w(r127f) -& w(r133f) +& w(r138f) +& w(r146f) -& w(r151f) +& w(r155f) cdot(sOH) = cdot(sOH) +& w(r156f) +& w(r167f) -& w(r168f) +& w(r171f) +& w(r173f) -& w(r175f) +& w(r179f) -& w(r181f) +& w(r185f) +& w(r198f) -& w(r201f) -& w(r202f) -& w(r211) -& w(r215) +& w(r224) +& w(r229) -& w(r232) -& w(r235) -& w(r239) -& w(r242) -& w(r244) +& w(r245) +& w(r248) +& w(r249) +& w(r251) +& w(r260) +& w(r263) +& w(r266) +& w(r268) -& w(r270) +& w(r271) +& w(r272) +& w(r280) -& w(r281) +& w(r287) -& w(r288) -& w(r293) -& w(r300) +& w(r309) -& w(r314) +& w(r318) -& w(r326) -& w(r333) -& w(r4b) -& w(r5b) + 2.000000000_pr *& w(r6b) +& w(r7b) + 2.000000000_pr *& w(r8b) +& w(r9b) -& w(r13b) cdot(sOH) = cdot(sOH) +& w(r14b) +& w(r15b) +& w(r16b) +& w(r18b) +& w(r19b) - 2.000000000_pr *& w(r20b) -& w(r23b) -& w(r24b) -& w(r26b) +& w(r27b) +& w(r28b) +& w(r30b) -& w(r34b) +& w(r40b) -& w(r41b) +& w(r43b) +& w(r46b) -& w(r50b) -& w(r53b) +& w(r61b) -& w(r64b) +& w(r66b) +& w(r68b) -& w(r72b) +& w(r77b) +& w(r78b) -& w(r81b) +& w(r84b) -& w(r90b) -& w(r93b) +& w(r95b) +& w(r99b) -& w(r101b) -& w(r103b) +& w(r111b) +& w(r112b) -& w(r119b) +& w(r127b) +& w(r133b) -& w(r138b) -& w(r146b) +& w(r151b) -& w(r155b) -& w(r156b) -& w(r167b) +& w(r168b) -& w(r171b) -& w(r173b) +& w(r175b) -& w(r179b) cdot(sOH) = cdot(sOH) +& w(r181b) -& w(r185b) -& w(r198b) +& w(r201b) +& w(r202b) cdot(sH2O) = 0.0_pr +& w(r6f) +& w(r7f) +& w(r9f) -& w(r10f) +& w(r10f) +& w(r14f) +& w(r15f) +& w(r16f) +& w(r18f) +& w(r19f) +& w(r22f) +& w(r26f) +& w(r27f) +& w(r28f) -& w(r31f) +& w(r43f) +& w(r47f) -& w(r48f) +& w(r48f) +& w(r61f) +& w(r66f) +& w(r68f) +& w(r84f) -& w(r85f) +& w(r85f) +& w(r95f) +& w(r99f) +& w(r104f) +& w(r127f) +& w(r133f) +& w(r151f) +& w(r168f) +& w(r175f) +& w(r181f) +& w(r202f) +& w(r211) -& w(r224) +& w(r235) +& w(r238) -& w(r251) +& w(r270) -& w(r287) +& w(r300) -& w(r301) -& w(r6b) -& w(r7b) -& w(r9b) -& w(r10b) +& w(r10b) -& w(r14b) cdot(sH2O) = cdot(sH2O) -& w(r15b) -& w(r16b) -& w(r18b) -& w(r19b) -& w(r22b) -& w(r26b) -& w(r27b) -& w(r28b) +& w(r31b) -& w(r43b) -& w(r47b) -& w(r48b) +& w(r48b) -& w(r61b) -& w(r66b) -& w(r68b) -& w(r84b) -& w(r85b) +& w(r85b) -& w(r95b) -& w(r99b) -& w(r104b) -& w(r127b) -& w(r133b) -& w(r151b) -& w(r168b) -& w(r175b) -& w(r181b) -& w(r202b) cdot(sH2O2) = 0.0_pr +& w(r8f) +& w(r17f) +& w(r21f) -& w(r24f) -& w(r25f) -& w(r26f) -& w(r27f) -& w(r28f) -& w(r54f) +& w(r97f) -& w(r130f) -& w(r144f) +& w(r147f) +& w(r182f) +& w(r212) -& w(r8b) -& w(r17b) -& w(r21b) +& w(r24b) +& w(r25b) +& w(r26b) +& w(r27b) +& w(r28b) +& w(r54b) -& w(r97b) +& w(r130b) +& w(r144b) -& w(r147b) -& w(r182b) cdot(sHO2) = 0.0_pr +& w(r11f) +& w(r12f) -& w(r14f) -& w(r15f) -& w(r16f) - 2.000000000_pr *& w(r17f) -& w(r18f) -& w(r19f) -& w(r20f) - 2.000000000_pr *& w(r21f) -& w(r22f) -& w(r23f) +& w(r24f) +& w(r25f) +& w(r27f) +& w(r28f) -& w(r41f) -& w(r53f) +& w(r54f) -& w(r60f) -& w(r81f) +& w(r83f) -& w(r97f) +& w(r98f) +& w(r102f) -& w(r119f) +& w(r123f) +& w(r130f) +& w(r137f) +& w(r143f) +& w(r144f) -& w(r146f) -& w(r147f) -& w(r148f) +& w(r170f) -& w(r176f) -& w(r179f) -& w(r182f) -& w(r195f) -& w(r198f) +& w(r210) -& w(r212) -& w(r249) -& w(r259) +& w(r274) +& w(r281) -& w(r11b) -& w(r12b) +& w(r14b) +& w(r15b) cdot(sHO2) = cdot(sHO2) +& w(r16b) + 2.000000000_pr *& w(r17b) +& w(r18b) +& w(r19b) +& w(r20b) + 2.000000000_pr *& w(r21b) +& w(r22b) +& w(r23b) -& w(r24b) -& w(r25b) -& w(r27b) -& w(r28b) +& w(r41b) +& w(r53b) -& w(r54b) +& w(r60b) +& w(r81b) -& w(r83b) +& w(r97b) -& w(r98b) -& w(r102b) +& w(r119b) -& w(r123b) -& w(r130b) -& w(r137b) -& w(r143b) -& w(r144b) +& w(r146b) +& w(r147b) +& w(r148b) -& w(r170b) +& w(r176b) +& w(r179b) +& w(r182b) +& w(r195b) +& w(r198b) !cdot(sCH) = 0.0_pr cdot(sCO) = 0.0_pr +& w(r29f) +& w(r47f) +& w(r49f) +& w(r50f) -& w(r73f) -& w(r74f) -& w(r75f) +& w(r75f) -& w(r76f) -& w(r77f) -& w(r78f) -& w(r79f) -& w(r80f) -& w(r81f) +& w(r83f) +& w(r84f) +& w(r85f) +& w(r87f) +& w(r88f) +& w(r89f) +& w(r90f) +& w(r106f) +& w(r107f) +& w(r110f) +& w(r112f) +& w(r114f) +& w(r118f) +& w(r139f) + 2.000000000_pr *& w(r156f) +& w(r158f) + 2.000000000_pr *& w(r159f) +& w(r162f) +& w(r165f) +& w(r171f) +& w(r172f) +& w(r204f) + 2.000000000_pr *& w(r206f) -& w(r217) +& w(r220) -& w(r222) -& w(r227) -& w(r234) +& w(r240) -& w(r256) +& w(r257) -& w(r267) -& w(r276) -& w(r285) +& w(r286) +& w(r294) cdot(sCO) = cdot(sCO) +& w(r312) +& w(r316) +& w(r320) -& w(r323) +& w(r327) +& w(r329) -& w(r29b) -& w(r47b) -& w(r49b) -& w(r50b) +& w(r73b) +& w(r74b) -& w(r75b) +& w(r75b) +& w(r76b) +& w(r77b) +& w(r78b) +& w(r79b) +& w(r80b) +& w(r81b) -& w(r83b) -& w(r84b) -& w(r85b) -& w(r87b) -& w(r88b) -& w(r89b) -& w(r90b) -& w(r106b) -& w(r107b) -& w(r110b) -& w(r112b) -& w(r114b) -& w(r118b) -& w(r139b) - 2.000000000_pr *& w(r156b) -& w(r158b) - 2.000000000_pr *& w(r159b) -& w(r162b) -& w(r165b) -& w(r171b) -& w(r172b) -& w(r204b) - 2.000000000_pr *& w(r206b) !cdot(sHCO) = 0.0_pr cdot(sCH2O) = 0.0_pr +& w(r31f) +& w(r40f) +& w(r41f) +& w(r46f) +& w(r59f) +& w(r64f) +& w(r80f) +& w(r86f) -& w(r91f) -& w(r92f) -& w(r93f) -& w(r94f) -& w(r95f) -& w(r96f) -& w(r97f) -& w(r98f) +& w(r99f) +& w(r100f) +& w(r101f) +& w(r102f) +& w(r107f) +& w(r128f) +& w(r132f) +& w(r145f) +& w(r146f) +& w(r171f) +& w(r179f) -& w(r193f) +& w(r284) -& w(r31b) -& w(r40b) -& w(r41b) -& w(r46b) -& w(r59b) -& w(r64b) -& w(r80b) -& w(r86b) +& w(r91b) +& w(r92b) +& w(r93b) +& w(r94b) +& w(r95b) +& w(r96b) +& w(r97b) +& w(r98b) -& w(r99b) -& w(r100b) -& w(r101b) -& w(r102b) -& w(r107b) cdot(sCH2O) = cdot(sCH2O) -& w(r128b) -& w(r132b) -& w(r145b) -& w(r146b) -& w(r171b) -& w(r179b) +& w(r193b) !cdot(sCH2) = 0.0_pr cdot(sCH3) = 0.0_pr +& w(r35f) +& w(r42f) +& w(r44f) -& w(r53f) -& w(r54f) -& w(r55f) -& w(r56f) - 2.000000000_pr *& w(r57f) - 2.000000000_pr *& w(r58f) -& w(r59f) -& w(r60f) -& w(r61f) -& w(r62f) -& w(r63f) -& w(r64f) -& w(r65f) -& w(r66f) + 2.000000000_pr *& w(r67f) +& w(r68f) + 2.000000000_pr *& w(r70f) +& w(r71f) +& w(r72f) -& w(r87f) -& w(r94f) +& w(r103f) -& w(r109f) +& w(r112f) +& w(r118f) -& w(r120f) -& w(r121f) -& w(r129f) -& w(r136f) +& w(r141f) +& w(r145f) +& w(r146f) +& w(r153f) -& w(r154f) -& w(r162f) +& w(r165f) +& w(r172f) +& w(r174f) -& w(r184f) +& w(r186f) +& w(r187f) +& w(r188f) + 2.000000000_pr *& w(r189f) -& w(r191f) +& w(r196f) +& w(r207f) -& w(r208) cdot(sCH3) = cdot(sCH3) + 0.600000000_pr *& w(r208) + 0.600000000_pr *& w(r209) + 0.600000000_pr *& w(r210) + 0.600000000_pr *& w(r211) + 0.600000000_pr *& w(r212) +& w(r213) -& w(r218) -& w(r238) -& w(r266) +& w(r295) -& w(r296) +& w(r301) +& w(r303) -& w(r307) +& w(r314) -& w(r35b) -& w(r42b) -& w(r44b) +& w(r53b) +& w(r54b) +& w(r55b) +& w(r56b) + 2.000000000_pr *& w(r57b) + 2.000000000_pr *& w(r58b) +& w(r59b) +& w(r60b) +& w(r61b) +& w(r62b) +& w(r63b) +& w(r64b) +& w(r65b) +& w(r66b) - 2.000000000_pr *& w(r67b) -& w(r68b) - 2.000000000_pr *& w(r70b) -& w(r71b) -& w(r72b) +& w(r87b) +& w(r94b) -& w(r103b) +& w(r109b) -& w(r112b) -& w(r118b) +& w(r120b) +& w(r121b) +& w(r129b) +& w(r136b) -& w(r141b) -& w(r145b) -& w(r146b) cdot(sCH3) = cdot(sCH3) -& w(r153b) +& w(r154b) +& w(r162b) -& w(r165b) -& w(r172b) -& w(r174b) +& w(r184b) -& w(r186b) -& w(r187b) -& w(r188b) - 2.000000000_pr *& w(r189b) +& w(r191b) -& w(r196b) -& w(r207b) cdot(sCO2) = 0.0_pr +& w(r36f) +& w(r73f) +& w(r74f) +& w(r77f) +& w(r78f) +& w(r81f) +& w(r82f) -& w(r105f) +& w(r105f) -& w(r106f) -& w(r107f) -& w(r108f) +& w(r108f) +& w(r164f) -& w(r220) -& w(r250) -& w(r257) +& w(r258) +& w(r267) +& w(r279) +& w(r285) -& w(r294) +& w(r319) +& w(r321) +& w(r323) -& w(r330) -& w(r36b) -& w(r73b) -& w(r74b) -& w(r77b) -& w(r78b) -& w(r81b) -& w(r82b) -& w(r105b) +& w(r105b) +& w(r106b) +& w(r107b) -& w(r108b) +& w(r108b) -& w(r164b) !cdot(sCH2DXCH2) = 0.0_pr !cdot(sCH3O) = 0.0_pr cdot(sCH4) = 0.0_pr +& w(r54f) +& w(r55f) +& w(r60f) -& w(r67f) -& w(r68f) -& w(r69f) -& w(r70f) -& w(r71f) -& w(r72f) +& w(r87f) +& w(r94f) +& w(r129f) +& w(r136f) +& w(r154f) +& w(r184f) -& w(r196f) + 1.050000000_pr *& w(r208) + 0.050000000_pr *& w(r209) + 0.050000000_pr *& w(r210) + 0.050000000_pr *& w(r211) + 0.050000000_pr *& w(r212) -& w(r295) +& w(r307) -& w(r54b) -& w(r55b) -& w(r60b) +& w(r67b) +& w(r68b) +& w(r69b) +& w(r70b) +& w(r71b) +& w(r72b) -& w(r87b) -& w(r94b) -& w(r129b) -& w(r136b) -& w(r154b) -& w(r184b) +& w(r196b) cdot(sC2H4) = 0.0_pr +& w(r56f) +& w(r63f) +& w(r69f) +& w(r122f) +& w(r130f) -& w(r131f) -& w(r132f) -& w(r133f) -& w(r134f) -& w(r135f) -& w(r136f) -& w(r137f) -& w(r138f) -& w(r139f) -& w(r140f) -& w(r141f) +& w(r143f) +& w(r147f) +& w(r150f) +& w(r162f) +& w(r187f) + 2.830833300_pr *& w(r208) + 2.830833300_pr *& w(r209) + 2.830833300_pr *& w(r210) + 2.830833300_pr *& w(r211) + 2.830833300_pr *& w(r212) + 2.950000000_pr *& w(r213) -& w(r289) +& w(r304) -& w(r56b) -& w(r63b) -& w(r69b) -& w(r122b) -& w(r130b) +& w(r131b) +& w(r132b) +& w(r133b) +& w(r134b) +& w(r135b) +& w(r136b) +& w(r137b) +& w(r138b) +& w(r139b) +& w(r140b) +& w(r141b) -& w(r143b) -& w(r147b) -& w(r150b) -& w(r162b) -& w(r187b) cdot(sC2H4) = cdot(sC2H4) ! cdot(sC2H5) = 0.0_pr + !& w(r57f) + !& w(r135f) + !& w(r139f) - !& w(r142f) - !& w(r143f) - !& w(r144f) - !& w(r145f) - !& w(r146f) - !& w(r147f) - !& w(r148f) - !& w(r150f) + !& w(r151f) + !& w(r152f) + !& w(r153f) + !& w(r154f) + !& w(r155f) + !& w(r183f) + !& w(r192f) + !& w(r291) - !& w(r308) - !& w(r57b) - !& w(r135b) - !& w(r139b) + !& w(r142b) + !& w(r143b) + !& w(r144b) + !& w(r145b) + !& w(r146b) + !& w(r147b) + !& w(r148b) + !& w(r150b) - !& w(r151b) - !& w(r152b) - !& w(r153b) - !& w(r154b) - !& w(r155b) - !& w(r183b) - !& w(r192b) cdot(sC2H6) = 0.0_pr +& w(r58f) +& w(r142f) +& w(r144f) +& w(r148f) -& w(r151f) -& w(r152f) -& w(r153f) -& w(r154f) -& w(r155f) -& w(r192f) -& w(r291) +& w(r308) -& w(r58b) -& w(r142b) -& w(r144b) -& w(r148b) +& w(r151b) +& w(r152b) +& w(r153b) +& w(r154b) +& w(r155b) +& w(r192b) !cdot(sC2H3) = 0.0_pr cdot(sCH2CO) = 0.0_pr +& w(r76f) +& w(r92f) +& w(r111f) +& w(r126f) -& w(r163f) -& w(r164f) -& w(r165f) -& w(r166f) -& w(r167f) -& w(r168f) +& w(r169f) +& w(r170f) +& w(r173f) +& w(r175f) +& w(r186f) +& w(r189f) +& w(r206f) -& w(r297) +& w(r313) -& w(r76b) -& w(r92b) -& w(r111b) -& w(r126b) +& w(r163b) +& w(r164b) +& w(r165b) +& w(r166b) +& w(r167b) +& w(r168b) -& w(r169b) -& w(r170b) -& w(r173b) -& w(r175b) -& w(r186b) -& w(r189b) -& w(r206b) !cdot(sHCCO) = 0.0_pr cdot(sC2H2) = 0.0_pr -& w(r109f) -& w(r110f) -& w(r111f) -& w(r112f) -& w(r113f) -& w(r114f) +& w(r115f) +& w(r116f) +& w(r123f) +& w(r127f) +& w(r129f) +& w(r190f) +& w(r206f) -& w(r236) +& w(r261) -& w(r275) +& w(r310) +& w(r311) -& w(r325) +& w(r109b) +& w(r110b) +& w(r111b) +& w(r112b) +& w(r113b) +& w(r114b) -& w(r115b) -& w(r116b) -& w(r123b) -& w(r127b) -& w(r129b) -& w(r190b) -& w(r206b) !cdot(sAXXC3H5) = 0.0_pr !cdot(sCH2CHO) = 0.0_pr cdot(sC3H6) = 0.0_pr +& w(r121f) +& w(r176f) +& w(r178f) -& w(r180f) -& w(r181f) -& w(r182f) -& w(r183f) -& w(r184f) -& w(r185f) -& w(r186f) -& w(r187f) +& w(r188f) + 0.486166700_pr *& w(r208) + 0.486166700_pr *& w(r209) + 0.486166700_pr *& w(r210) + 0.486166700_pr *& w(r211) + 0.486166700_pr *& w(r212) + 0.390000000_pr *& w(r213) -& w(r121b) -& w(r176b) -& w(r178b) +& w(r180b) +& w(r181b) +& w(r182b) +& w(r183b) +& w(r184b) +& w(r185b) +& w(r186b) +& w(r187b) -& w(r188b) cdot(sIXXC4H8) = 0.0_pr -& w(r188f) -& w(r189f) + 0.243083300_pr *& w(r208) + 0.243083300_pr *& w(r209) + 0.243083300_pr *& w(r210) + 0.243083300_pr *& w(r211) + 0.243083300_pr *& w(r212) + 0.195000000_pr *& w(r213) +& w(r188b) +& w(r189b) cdot(sC5H6) = 0.0_pr -& w(r190f) +& w(r204f) +& w(r190b) -& w(r204b) !cdot(sC6H5) = 0.0_pr cdot(sC6H5CH3) = 0.0_pr +& w(r191f) -& w(r207f) + 0.157500000_pr *& w(r208) + 0.157500000_pr *& w(r209) + 0.157500000_pr *& w(r210) + 0.157500000_pr *& w(r211) + 0.157500000_pr *& w(r212) + 0.150000000_pr *& w(r213) -& w(r191b) +& w(r207b) cdot(sC6H6) = 0.0_pr +& w(r192f) +& w(r193f) +& w(r194f) +& w(r195f) +& w(r196f) +& w(r199f) -& w(r202f) -& w(r203f) +& w(r207f) + 0.192500000_pr *& w(r208) + 0.192500000_pr *& w(r209) + 0.192500000_pr *& w(r210) + 0.192500000_pr *& w(r211) + 0.192500000_pr *& w(r212) + 0.183333300_pr *& w(r213) -& w(r192b) -& w(r193b) -& w(r194b) -& w(r195b) -& w(r196b) -& w(r199b) +& w(r202b) +& w(r203b) -& w(r207b) cdot(sC6H5O) = 0.0_pr +& w(r197f) +& w(r198f) +& w(r201f) +& w(r203f) -& w(r204f) -& w(r205f) -& w(r197b) -& w(r198b) -& w(r201b) -& w(r203b) +& w(r204b) +& w(r205b) cdot(sC6H4O2) = 0.0_pr +& w(r200f) +& w(r205f) -& w(r206f) -& w(r200b) -& w(r205b) +& w(r206b) cdot(sPOSF10325XC11H22) = 0.0_pr -& w(r208) -& w(r209) -& w(r210) -& w(r211) -& w(r212) -& w(r213) !cdot(sN) = 0.0_pr cdot(sNO) = 0.0_pr +& w(r215) +& w(r216) +& w(r220) +& w(r229) +& w(r233) -& w(r236) -& w(r237) -& w(r238) -& w(r239) -& w(r240) -& w(r241) -& w(r242) -& w(r243) +& w(r243) -& w(r244) -& w(r245) -& w(r246) -& w(r247) -& w(r248) -& w(r249) -& w(r250) -& w(r251) -& w(r252) -& w(r253) -& w(r254) +& w(r254) -& w(r255) -& w(r256) -& w(r257) -& w(r258) -& w(r259) -& w(r260) -& w(r261) -& w(r262) -& w(r263) -& w(r264) -& w(r266) -& w(r267) -& w(r268) +& w(r270) +& w(r271) +& w(r273) +& w(r274) +& w(r275) +& w(r276) +& w(r277) +& w(r278) +& w(r279) +& w(r280) +& w(r281) cdot(sNO) = cdot(sNO) +& w(r282) +& w(r283) +& w(r284) +& w(r285) +& w(r301) +& w(r305) +& w(r310) +& w(r314) -& w(r319) +& w(r320) +& w(r321) +& w(r326) + 2.000000000_pr *& w(r329) +& w(r330) +& w(r331) +& w(r333) +& w(r339) -& w(r340) !cdot(sNCO) = 0.0_pr !cdot(sH2CN) = 0.0_pr !cdot(sCN) = 0.0_pr !cdot(sNH) = 0.0_pr cdot(sHCN) = 0.0_pr +& w(r227) +& w(r236) +& w(r238) +& w(r245) +& w(r253) +& w(r258) +& w(r263) +& w(r287) +& w(r289) +& w(r291) +& w(r292) +& w(r293) +& w(r295) +& w(r296) +& w(r297) -& w(r298) -& w(r299) -& w(r300) -& w(r301) -& w(r302) -& w(r303) -& w(r304) -& w(r305) -& w(r306) -& w(r307) -& w(r308) -& w(r309) -& w(r310) -& w(r311) -& w(r312) -& w(r313) +& w(r315) +& w(r325) +& w(r328) +& w(r334) +& w(r336) !cdot(sHNO) = 0.0_pr cdot(sNO2) = 0.0_pr +& w(r237) +& w(r241) +& w(r242) +& w(r249) +& w(r257) -& w(r278) -& w(r279) -& w(r280) -& w(r281) -& w(r282) -& w(r283) -& w(r284) -& w(r285) -& w(r329) ! PROMPT ! !reacexp(265) = 'NO2 + CH -> HCO + NO' !reacexp(284) = 'HCN + H2O -> CH3 + NO' !reacexp(288) = 'HCN + O -> CH + NO' !reacexp(293) = 'HCO + HCN -> C2H2 + NO' !reacexp(302) = 'NCO + O -> NO + CO' !reacexp(307) = 'NCO + OH -> NO + HCO' !reacexp(303) = 'NCO + O2 -> NO + CO2' !reacexp(310) = 'NCO + NO2 -> CO + 2.000000000 NO' !imp_reacs_buf(1) = w(265) + w(284) + w(288) + w(293 ) + w(302 ) + w(307 ) + w(303) + w(310) + w(310) !reacexp(242) = 'HCCO + NO -> HCN + CO2' !reacexp(229) = 'CH2D-CH2 + NO -> HCN + OH' !reacexp(247) = 'CH2 + NO -> HCN + OH' !reacexp(222) = 'CH3 + NO -> HCN + H2O' !reacexp(237) = 'CH + NO -> HCN + O' !reacexp(220) = 'C2H2 + NO -> HCO + HCN' !reacexp(240) = 'NO + CO -> NCO + O' !reacexp(244) = 'NO + HCO -> NCO + OH' !reacexp(234) = 'NO + CO2 -> NCO + O2' !reacexp(231) = 'CH + NO -> NCO + H' !imp_reacs_buf(2) = w(242) + w(229) + w(247 ) + w(222 ) + w(237 ) + w(220 ) + w(240 ) + w(244) + w(234) + w( 231) !imp_reacs_buf(3) = imp_reacs_buf(1) - imp_reacs_buf(2) ! ZELDOVICH ! !N2 + O -> N + NO ! N + OH -> NO + H !N + O2 -> NO + O !imp_reacs_buf(4) = w(r331) + w(r215) + w(r216) !N + NO -> N2 + O !NO + H -> N + OH !NO + O -> N + O2 !imp_reacs_buf(5)=w(r262) + w(r268) + w(r246) !imp_reacs_buf(6) = imp_reacs_buf(4) - imp_reacs_buf(5) ! NNH ! !reacexp(248) = 'NO + H -> NH + O' !reacexp(223) = 'NO + OH -> NH + O2' !reacexp(217) = 'NH + O -> NO + H' !reacexp(214) = 'NH + O2 -> NO + OH' !imp_reacs_buf(7) = w(214) + w(217) - w(248) - w(223) end subroutine get_production_rates ! --- Actual reactions --- ! subroutine reaction_expressions implicit none reacexp(1) = '2.000000000 H + M1 -> H2 + M1' reacexp(2) = '2.000000000 H + H2 -> 2.000000000 H2' reacexp(3) = '2.000000000 O + M4 -> O2 + M4' reacexp(4) = 'O + H2 -> H + OH' reacexp(5) = 'O + H + M3 -> OH + M3' reacexp(6) = '2.000000000 OH -> O + H2O' reacexp(7) = 'OH + H2 -> H + H2O' reacexp(8) = '2.000000000 OH + M6 -> H2O2 + M6' reacexp(9) = 'H + OH + M2 -> H2O + M2' reacexp(10) = '2.000000000 H + H2O -> H2 + H2O' reacexp(11) = 'H + O2 + M5 -> HO2 + M5' reacexp(12) = 'H2 + O2 -> HO2 + H' reacexp(13) = 'H + O2 -> O + OH' reacexp(14) = 'OH + HO2 -> H2O + O2' reacexp(15) = 'OH + HO2 -> H2O + O2' reacexp(16) = 'OH + HO2 -> H2O + O2' reacexp(17) = '2.000000000 HO2 -> O2 + H2O2' reacexp(18) = 'OH + HO2 -> H2O + O2' reacexp(19) = 'OH + HO2 -> H2O + O2' reacexp(20) = 'HO2 + H -> 2.000000000 OH' reacexp(21) = '2.000000000 HO2 -> O2 + H2O2' reacexp(22) = 'HO2 + H -> O + H2O' reacexp(23) = 'HO2 + O -> OH + O2' reacexp(24) = 'H2O2 + O -> OH + HO2' reacexp(25) = 'H2O2 + H -> HO2 + H2' reacexp(26) = 'H2O2 + H -> OH + H2O' reacexp(27) = 'H2O2 + OH -> HO2 + H2O' reacexp(28) = 'H2O2 + OH -> HO2 + H2O' reacexp(29) = 'CH + O -> CO + H' reacexp(30) = 'CH + OH -> HCO + H' reacexp(31) = 'CH + H2O -> CH2O + H' reacexp(32) = 'CH + H2 -> CH2 + H' reacexp(33) = 'CH + O2 -> HCO + O' reacexp(34) = 'CH2 + O2 -> HCO + OH' reacexp(35) = 'CH2 + H + M12 -> CH3 + M12' reacexp(36) = 'CH2 + O2 -> CO2 + 2.000000000 H' reacexp(37) = 'CH2 + O -> HCO + H' reacexp(38) = 'CH2 + OH -> CH2O + H' reacexp(39) = 'CH2 + HO2 -> CH2O + OH' reacexp(40) = 'CH2 + H2 -> H + CH3' reacexp(41) = 'CH2 + OH -> CH + H2O' reacexp(42) = 'CH2D-CH2 + H2 -> CH3 + H' reacexp(43) = 'CH2D-CH2 + O -> HCO + H' reacexp(44) = 'CH2D-CH2 + OH -> CH2O + H' reacexp(45) = 'CH2D-CH2 + O2 -> CO + H2O' reacexp(46) = 'CH2D-CH2 + H2O -> CH2 + H2O' reacexp(47) = 'CH2D-CH2 + O -> CO + H2' reacexp(48) = 'CH2D-CH2 + O2 -> H + OH + CO' reacexp(49) = 'CH2D-CH2 + H -> CH + H2' reacexp(50) = 'CH3 + HO2 -> CH3O + OH' reacexp(51) = 'CH3 + H2O2 -> CH4 + HO2' reacexp(52) = 'CH3 + H + M17 -> CH4 + M17' reacexp(53) = 'CH3 + CH2 -> C2H4 + H' reacexp(54) = '2.000000000 CH3 -> H + C2H5' reacexp(55) = '2.000000000 CH3 + M19 -> C2H6 + M19' reacexp(56) = 'CH3 + O -> CH2O + H' reacexp(57) = 'CH3 + HO2 -> CH4 + O2' reacexp(58) = 'CH3 + OH -> CH2D-CH2 + H2O' reacexp(59) = 'CH3 + CH -> C2H3 + H' reacexp(60) = 'CH3 + CH2D-CH2 -> C2H4 + H' reacexp(61) = 'CH3 + O2 -> OH + CH2O' reacexp(62) = 'CH3 + O2 -> O + CH3O' reacexp(63) = 'CH3 + OH -> CH2 + H2O' reacexp(64) = 'CH4 + CH2 -> 2.000000000 CH3' reacexp(65) = 'CH4 + OH -> CH3 + H2O' reacexp(66) = 'CH4 + CH -> C2H4 + H' reacexp(67) = 'CH4 + CH2D-CH2 -> 2.000000000 CH3' reacexp(68) = 'CH4 + H -> CH3 + H2' reacexp(69) = 'CH4 + O -> CH3 + OH' reacexp(70) = 'CO + O2 -> CO2 + O' reacexp(71) = 'CO + O + M7 -> CO2 + M7' reacexp(72) = 'CH2D-CH2 + CO -> CH2 + CO' reacexp(73) = 'CH2 + CO + M13 -> CH2CO + M13' reacexp(74) = 'CO + OH -> CO2 + H' reacexp(75) = 'CO + OH -> CO2 + H' reacexp(76) = 'CH + CO + M10 -> HCCO + M10' reacexp(77) = 'CO + H2 + M9 -> CH2O + M9' reacexp(78) = 'CO + HO2 -> CO2 + OH' reacexp(79) = 'HCO + O -> CO2 + H' reacexp(80) = 'HCO + O2 -> CO + HO2' reacexp(81) = 'HCO + OH -> CO + H2O' reacexp(82) = 'HCO + H2O -> CO + H + H2O' reacexp(83) = 'HCO + H + M11 -> CH2O + M11' reacexp(84) = 'CH3 + HCO -> CH4 + CO' reacexp(85) = 'HCO + H -> CO + H2' reacexp(86) = 'HCO + M8 -> CO + H + M8' reacexp(87) = 'HCO + O -> CO + OH' reacexp(88) = 'CH2O + H -> HCO + H2' reacexp(89) = 'CH2O + CH -> CH2CO + H' reacexp(90) = 'CH2O + O -> HCO + OH' reacexp(91) = 'CH3 + CH2O -> CH4 + HCO' reacexp(92) = 'CH2O + OH -> HCO + H2O' reacexp(93) = 'CH2O + H + M16 -> CH3O + M16' reacexp(94) = 'CH2O + HO2 -> HCO + H2O2' reacexp(95) = 'CH2O + O2 -> HCO + HO2' reacexp(96) = 'CH3O + OH -> CH2O + H2O' reacexp(97) = 'CH3O + H -> CH2O + H2' reacexp(98) = 'CH3O + O -> CH2O + OH' reacexp(99) = 'CH3O + O2 -> CH2O + HO2' reacexp(100) = 'CH3O + H -> CH3 + OH' reacexp(101) = 'CH3O + H -> CH2D-CH2 + H2O' reacexp(102) = '2.000000000 H + CO2 -> H2 + CO2' reacexp(103) = 'CH + CO2 -> HCO + CO' reacexp(104) = 'CH2D-CH2 + CO2 -> CH2O + CO' reacexp(105) = 'CH2D-CH2 + CO2 -> CH2 + CO2' reacexp(106) = 'C2H2 + CH3 -> AX-C3H5' reacexp(107) = 'C2H2 + HCO -> C2H3 + CO' reacexp(108) = 'C2H2 + OH -> CH2CO + H' reacexp(109) = 'C2H2 + OH -> CH3 + CO' reacexp(110) = 'C2H2 + O -> HCCO + H' reacexp(111) = 'C2H2 + O -> CH2 + CO' reacexp(112) = 'C2H3 + H -> C2H2 + H2' reacexp(113) = 'C2H3 + M24 -> C2H2 + H + M24' reacexp(114) = 'C2H3 + O -> CH3 + CO' reacexp(115) = 'C2H3 + HO2 -> CH2CHO + OH' reacexp(116) = 'C2H3 + CH3 -> AX-C3H5 + H' reacexp(117) = 'C2H3 + CH3 + M30 -> C3H6 + M30' reacexp(118) = 'C2H3 + H + M29 -> C2H4 + M29' reacexp(119) = 'C2H3 + O2 -> C2H2 + HO2' reacexp(120) = 'C2H3 + O2 -> CH2CHO + O' reacexp(121) = 'C2H3 + O -> CH2CO + H' reacexp(122) = 'C2H3 + OH -> C2H2 + H2O' reacexp(123) = 'C2H3 + O2 -> HCO + CH2O' reacexp(124) = 'C2H3 + CH3 -> C2H2 + CH4' reacexp(125) = 'C2H3 + H2O2 -> C2H4 + HO2' reacexp(126) = 'C2H4 + H -> C2H3 + H2' reacexp(127) = 'C2H4 + O -> CH2 + CH2O' reacexp(128) = 'C2H4 + OH -> C2H3 + H2O' reacexp(129) = 'C2H4 + CH2D-CH2 -> AX-C3H5 + H' reacexp(130) = 'C2H4 + H + M36 -> C2H5 + M36' reacexp(131) = 'C2H4 + CH3 -> C2H3 + CH4' reacexp(132) = 'C2H4 + O2 -> C2H3 + HO2' reacexp(133) = 'C2H4 + O -> C2H3 + OH' reacexp(134) = 'C2H4 + HCO -> C2H5 + CO' reacexp(135) = 'C2H4 + CH2 -> AX-C3H5 + H' reacexp(136) = 'C2H4 + O -> CH3 + HCO' reacexp(137) = 'C2H5 + H + M37 -> C2H6 + M37' reacexp(138) = 'C2H5 + O2 -> C2H4 + HO2' reacexp(139) = 'C2H5 + H2O2 -> C2H6 + HO2' reacexp(140) = 'C2H5 + O -> CH3 + CH2O' reacexp(141) = 'C2H5 + HO2 -> CH3 + CH2O + OH' reacexp(142) = 'C2H5 + HO2 -> C2H4 + H2O2' reacexp(143) = 'C2H5 + HO2 -> C2H6 + O2' reacexp(144) = 'C2H5 + H -> C2H4 + H2' reacexp(145) = 'C2H6 + OH -> C2H5 + H2O' reacexp(146) = 'C2H6 + H -> C2H5 + H2' reacexp(147) = 'C2H6 + CH2D-CH2 -> C2H5 + CH3' reacexp(148) = 'C2H6 + CH3 -> C2H5 + CH4' reacexp(149) = 'C2H6 + O -> C2H5 + OH' reacexp(150) = 'HCCO + O2 -> OH + 2.000000000 CO' reacexp(151) = 'HCCO + H -> CH2D-CH2 + CO' reacexp(152) = 'HCCO + O -> H + 2.000000000 CO' reacexp(153) = 'CH3 + HCCO -> C2H4 + CO' reacexp(154) = 'CH2CO + H + M28 -> CH2CHO + M28' reacexp(155) = 'CH2CO + O -> CH2 + CO2' reacexp(156) = 'CH2CO + H -> CH3 + CO' reacexp(157) = 'CH2CO + H -> HCCO + H2' reacexp(158) = 'CH2CO + O -> HCCO + OH' reacexp(159) = 'CH2CO + OH -> HCCO + H2O' reacexp(160) = 'CH2CHO + H -> CH2CO + H2' reacexp(161) = 'CH2CHO + O2 -> CH2CO + HO2' reacexp(162) = 'CH2CHO + O2 -> CH2O + CO + OH' reacexp(163) = 'CH2CHO -> CH3 + CO' reacexp(164) = 'CH2CHO + O -> CH2CO + OH' reacexp(165) = 'CH2CHO + H -> CH3 + HCO' reacexp(166) = 'CH2CHO + OH -> CH2CO + H2O' reacexp(167) = 'AX-C3H5 + HO2 -> C3H6 + O2' reacexp(168) = 'AX-C3H5 + H + M41 -> C3H6 + M41' reacexp(169) = 'AX-C3H5 + HO2 -> OH + C2H3 + CH2O' reacexp(170) = 'C3H6 + H -> AX-C3H5 + H2' reacexp(171) = 'C3H6 + OH -> AX-C3H5 + H2O' reacexp(172) = 'C3H6 + HO2 -> AX-C3H5 + H2O2' reacexp(173) = 'C3H6 + O -> C2H5 + HCO' reacexp(174) = 'C3H6 + CH3 -> AX-C3H5 + CH4' reacexp(175) = 'C3H6 + O -> AX-C3H5 + OH' reacexp(176) = 'C3H6 + O -> CH2CO + CH3 + H' reacexp(177) = 'C3H6 + H -> C2H4 + CH3' reacexp(178) = 'IX-C4H8 + H -> C3H6 + CH3' reacexp(179) = 'IX-C4H8 + O -> 2.000000000 CH3 + CH2CO' reacexp(180) = 'C5H6 + H -> C2H2 + AX-C3H5' reacexp(181) = 'C6H5 + CH3 -> C6H5CH3' reacexp(182) = 'C6H5 + C2H6 -> C6H6 + C2H5' reacexp(183) = 'C6H5 + CH2O -> C6H6 + HCO' reacexp(184) = 'C6H5 + H + M65 -> C6H6 + M65' reacexp(185) = 'C6H5 + HO2 -> C6H6 + O2' reacexp(186) = 'C6H5 + CH4 -> C6H6 + CH3' reacexp(187) = 'C6H5 + O2 -> C6H5O + O' reacexp(188) = 'C6H5 + HO2 -> C6H5O + OH' reacexp(189) = 'C6H5 + H2 -> C6H6 + H' reacexp(190) = 'C6H5 + O2 -> C6H4O2 + H' reacexp(191) = 'C6H5 + OH -> C6H5O + H' reacexp(192) = 'C6H6 + OH -> C6H5 + H2O' reacexp(193) = 'C6H6 + O -> C6H5O + H' reacexp(194) = 'C6H5O + H -> C5H6 + CO' reacexp(195) = 'C6H5O + O -> C6H4O2 + H' reacexp(196) = 'C6H4O2 + O -> 2.000000000 CO + C2H2 + CH2CO' reacexp(197) = 'C6H5CH3 + H -> C6H6 + CH3' reacexp(198) = 'POSF10325-C11H22 + CH3 -> ...' reacexp(199) = 'POSF10325-C11H22 + H -> ...' reacexp(200) = 'POSF10325-C11H22 + O2 -> ...' reacexp(201) = 'POSF10325-C11H22 + OH -> .. ' reacexp(202) = 'POSF10325-C11H22 + HO2 -> ...' reacexp(203) = 'POSF10325-C11H22 -> ...' reacexp(204) = 'N + OH -> NO + H' reacexp(205) = 'N + O2 -> NO + O' reacexp(206) = 'N + CO + M244 -> NCO + M244' reacexp(207) = 'N + CH3 -> H2CN + H' reacexp(208) = 'N + CO2 -> NO + CO' reacexp(210) = 'N + H2O -> NH + OH' reacexp(211) = 'N + H2 -> NH + H' reacexp(212) = 'NH + H -> N + H2' reacexp(215) = 'NH + O2 -> HNO + O' reacexp(216) = 'NH + OH -> HNO + H' reacexp(217) = 'NH + O -> NO + H' reacexp(218) = 'NH + CO -> NCO + H' reacexp(219) = 'NH + OH -> N + H2O' reacexp(214) = 'NH + O2 -> NO + OH' reacexp(221) = 'NO + O + M233 -> NO2 + M233' reacexp(223) = 'NO + OH -> NH + O2' reacexp(224) = 'NO + HCO -> HNO + CO' reacexp(225) = 'NO + O2 -> NO2 + O' reacexp(226) = 'NO + OH -> NO2 + H' reacexp(227) = 'CH2D-CH2 + NO -> CH2 + NO' reacexp(228) = 'NO + OH -> HNO + O' reacexp(230) = 'NO + O -> N + O2' reacexp(231) = 'CH + NO -> NCO + H' reacexp(232) = 'NH + NO -> N2 + OH' reacexp(233) = 'NO + HO2 -> NO2 + OH' reacexp(234) = 'NO + CO2 -> NCO + O2' reacexp(235) = 'NO + H2O -> HNO + OH' reacexp(236) = 'H2 + NO -> HNO + H' reacexp(238) = 'CH2 + NO -> CH2D-CH2 + NO' reacexp(239) = 'NO + H + M231 -> HNO + M231' reacexp(240) = 'NO + CO -> NCO + O' reacexp(241) = 'CO2 + NO -> NO2 + CO' reacexp(243) = 'HO2 + NO -> HNO + O2' reacexp(244) = 'NO + HCO -> NCO + OH' reacexp(245) = 'NO + C2H3 -> C2H2 + HNO' reacexp(246) = 'N + NO -> N2 + O' reacexp(248) = 'NO + H -> NH + O' reacexp(249) = 'CH3 + NO -> H2CN + OH' reacexp(250) = 'NO + CO -> N + CO2' reacexp(251) = 'NO + H -> N + OH' reacexp(252) = 'HNO + O -> NH + O2' reacexp(253) = 'HNO + OH -> NO + H2O' reacexp(254) = 'HNO + O -> NO + OH' reacexp(255) = 'HNO + H -> NH + OH' reacexp(256) = 'HNO + H -> H2 + NO' reacexp(257) = 'HNO + O2 -> HO2 + NO' reacexp(258) = 'C2H2 + HNO -> NO + C2H3' reacexp(259) = 'HNO + CO -> NO + HCO' reacexp(260) = 'HNO + M232 -> NO + H + M232' reacexp(261) = 'NO2 + O -> NO + O2' reacexp(262) = 'NO2 + HCO -> H + CO2 + NO' reacexp(263) = 'NO2 + H -> NO + OH' reacexp(264) = 'NO2 + OH -> NO + HO2' reacexp(265) = 'NO2 + CH -> HCO + NO' reacexp(266) = 'NO2 + M234 -> NO + O + M234' reacexp(267) = 'NO2 + CH2 -> CH2O + NO' reacexp(268) = 'NO2 + CO -> CO2 + NO' reacexp(299) = 'NCO + H -> NH + CO' reacexp(301) = 'NCO + NO -> N2 + CO2' reacexp(302) = 'NCO + O -> NO + CO' reacexp(303) = 'NCO + O2 -> NO + CO2' reacexp(307) = 'NCO + OH -> NO + HCO' reacexp(308) = 'NCO + M243 -> N + CO + M243' reacexp(310) = 'NCO + NO2 -> CO + 2.000000000 NO' reacexp(311) = 'N2 + CO2 -> NCO + NO' reacexp(312) = 'N2 + O -> N + NO' reacexp(313) = 'CH2D-CH2 + N2 -> CH2 + N2' reacexp(314) = 'N2 + OH -> NH + NO' reacexp(317) = 'N2 + CH2 -> N + H2CN' reacexp(318) = 'N2 + H -> NH + N' reacexp(319) = 'HNO + N2 -> NO + H + N2' reacexp(320) = 'NO + H + N2 -> HNO + N2' reacexp(297) = 'H2CN + OH -> CH3 + NO' ! --- Produced CN --- ! reacexp(209) = 'CO + N -> CN + O' reacexp(300) = 'NCO + H -> CN + OH' reacexp(304) = 'NCO + O -> CN + O2' reacexp(305) = 'NCO + CO -> CN + CO2' ! --- Consumed CN --- ! reacexp(269) = 'CN + O -> CO + N' reacexp(271) = 'CN + OH -> NCO + H' reacexp(273) = 'CN + O2 -> NCO + O' reacexp(277) = 'CN + CO2 -> NCO + CO' ! --- Produced HCN --- ! reacexp(270) = 'CN + H2O -> HCN + OH' reacexp(272) = 'CN + C2H4 -> C2H3 + HCN' reacexp(274) = 'CN + C2H6 -> C2H5 + HCN' reacexp(275) = 'CN + H2 -> HCN + H' reacexp(276) = 'CN + OH -> HCN + O' reacexp(213) = 'NH + CO -> HCN + O' reacexp(278) = 'CN + CH4 -> CH3 + HCN' reacexp(279) = 'CH3 + CN -> HCN + CH2D-CH2' reacexp(280) = 'CN + CH2CO -> HCCO + HCN' reacexp(298) = 'H2CN + M245 -> HCN + H + M245' reacexp(306) = 'NCO + C2H2 -> HCCO + HCN' reacexp(309) = 'NCO + H -> HCN + O' reacexp(315) = 'N2 + CH2 -> HCN + NH' reacexp(316) = 'N2 + CH -> HCN + N' reacexp(222) = 'CH3 + NO -> HCN + H2O' reacexp(247) = 'CH2 + NO -> HCN + OH' reacexp(242) = 'HCCO + NO -> HCN + CO2' reacexp(237) = 'CH + NO -> HCN + O' reacexp(229) = 'CH2D-CH2 + NO -> HCN + OH' reacexp(220) = 'C2H2 + NO -> HCO + HCN' ! --- Consumed HCN --- ! reacexp(281) = 'HCN + H -> CN + H2' reacexp(282) = 'HCN + H + M246 -> H2CN + M246' reacexp(283) = 'HCN + OH -> CN + H2O' reacexp(285) = 'HCN + O -> NCO + H' reacexp(286) = 'HCN + CH2D-CH2 -> CH3 + CN' reacexp(287) = 'C2H3 + HCN -> CN + C2H4' reacexp(289) = 'HCN + N -> N2 + CH' reacexp(290) = 'CH3 + HCN -> CN + CH4' reacexp(291) = 'C2H5 + HCN -> CN + C2H6' reacexp(292) = 'HCN + O -> CN + OH' reacexp(294) = 'HCCO + HCN -> NCO + C2H2' reacexp(295) = 'HCN + O -> NH + CO' reacexp(296) = 'HCCO + HCN -> CN + CH2CO' reacexp(293) = 'HCO + HCN -> C2H2 + NO' reacexp(288) = 'HCN + O -> CH + NO' reacexp(284) = 'HCN + H2O -> CH3 + NO' reacexp(321) = 'Reverse of 2.00000 H + M1 -> H2 + M1' reacexp(322) = 'Reverse of 2.00000 H + H2 -> 2.000 H2' reacexp(323) = 'Reverse of 2.00000 O + M4 -> O2 + M4' reacexp(324) = 'Reverse of O + H2 -> H + OH' reacexp(325) = 'Reverse of O + H + M3 -> OH + M3' reacexp(326) = 'Reverse of 2.00000 OH -> O + H2O' reacexp(327) = 'Reverse of OH + H2 -> H + H2O' reacexp(328) = 'Reverse of 2.00000 OH + M6 -> H2O2 + M6' reacexp(329) = 'Reverse of H + OH + M2 -> H2O + M2' reacexp(330) = 'Reverse of 2.00000 H + H2O -> H2 + H2O' reacexp(331) = 'Reverse of H + O2 + M5 -> HO2 + M5' reacexp(332) = 'Reverse of H2 + O2 -> HO2 + H' reacexp(333) = 'Reverse of H + O2 -> O + OH' reacexp(334) = 'Reverse of OH + HO2 -> H2O + O2' reacexp(335) = 'Reverse of OH + HO2 -> H2O + O2' reacexp(336) = 'Reverse of OH + HO2 -> H2O + O2' reacexp(337) = 'Reverse of 2.0000000 HO2 -> O2 + H2O2' reacexp(338) = 'Reverse of OH + HO2 -> H2O + O2' reacexp(339) = 'Reverse of OH + HO2 -> H2O + O2' reacexp(340) = 'Reverse of HO2 + H -> 2.00000 OH' reacexp(341) = 'Reverse of 2.000000 HO2 -> O2 + H2O2' reacexp(342) = 'Reverse of HO2 + H -> O + H2O' reacexp(343) = 'Reverse of HO2 + O -> OH + O2' reacexp(344) = 'Reverse of H2O2 + O -> OH + HO2' reacexp(345) = 'Reverse of H2O2 + H -> HO2 + H2' reacexp(346) = 'Reverse of H2O2 + H -> OH + H2O' reacexp(347) = 'Reverse of H2O2 + OH -> HO2 + H2O' reacexp(348) = 'Reverse of H2O2 + OH -> HO2 + H2O' reacexp(349) = 'Reverse of CH + O -> CO + H' reacexp(350) = 'Reverse of CH + OH -> HCO + H' reacexp(351) = 'Reverse of CH + H2O -> CH2O + H' reacexp(352) = 'Reverse of CH + H2 -> CH2 + H' reacexp(353) = 'Reverse of CH + O2 -> HCO + O' reacexp(354) = 'Reverse of CH2 + O2 -> HCO + OH' reacexp(355) = 'Reverse of CH2 + H + M12 -> CH3 + M12' reacexp(356) = 'Reverse of CH2 + O2 -> CO2 + 2.00000 H' reacexp(357) = 'Reverse of CH2 + O -> HCO + H' reacexp(358) = 'Reverse of CH2 + OH -> CH2O + H' reacexp(359) = 'Reverse of CH2 + HO2 -> CH2O + OH' reacexp(360) = 'Reverse of CH2 + H2 -> H + CH3' reacexp(361) = 'Reverse of CH2 + OH -> CH + H2O' reacexp(362) = 'Reverse of CH2D-CH2 + H2 -> CH3 + H' reacexp(363) = 'Reverse of CH2D-CH2 + O -> HCO + H' reacexp(364) = 'Reverse of CH2D-CH2 + OH -> CH2O + H' reacexp(365) = 'Reverse of CH2D-CH2 + O2 -> CO + H2O' reacexp(366) = 'Reverse of CH2D-CH2 + H2O -> CH2 + H2O' reacexp(367) = 'Reverse of CH2D-CH2 + O -> CO + H2' reacexp(368) = 'Reverse of CH2D-CH2 + O2 -> H + OH + CO' reacexp(369) = 'Reverse of CH2D-CH2 + H -> CH + H2' reacexp(370) = 'Reverse of CH3 + HO2 -> CH3O + OH' reacexp(371) = 'Reverse of CH3 + H2O2 -> CH4 + HO2' reacexp(372) = 'Reverse of CH3 + H + M17 -> CH4 + M17' reacexp(373) = 'Reverse of CH3 + CH2 -> C2H4 + H' reacexp(374) = 'Reverse of 2.000000 CH3 -> H + C2H5' reacexp(375) = 'Reverse of 2.00000 CH3 + M19 -> C2H6 + M19' reacexp(376) = 'Reverse of CH3 + O -> CH2O + H' reacexp(377) = 'Reverse of CH3 + HO2 -> CH4 + O2' reacexp(378) = 'Reverse of CH3 + OH -> CH2D-CH2 + H2O' reacexp(379) = 'Reverse of CH3 + CH -> C2H3 + H' reacexp(380) = 'Reverse of CH3 + CH2D-CH2 -> C2H4 + H' reacexp(381) = 'Reverse of CH3 + O2 -> OH + CH2O' reacexp(382) = 'Reverse of CH3 + O2 -> O + CH3O' reacexp(383) = 'Reverse of CH3 + OH -> CH2 + H2O' reacexp(384) = 'Reverse of CH4 + CH2 -> 2.000000000 CH3' reacexp(385) = 'Reverse of CH4 + OH -> CH3 + H2O' reacexp(386) = 'Reverse of CH4 + CH -> C2H4 + H' reacexp(387) = 'Reverse of CH4 + CH2D-CH2 -> 2.0000 CH3' reacexp(388) = 'Reverse of CH4 + H -> CH3 + H2' reacexp(389) = 'Reverse of CH4 + O -> CH3 + OH' reacexp(390) = 'Reverse of CO + O2 -> CO2 + O' reacexp(391) = 'Reverse of CO + O + M7 -> CO2 + M7' reacexp(392) = 'Reverse of CH2D-CH2 + CO -> CH2 + CO' reacexp(393) = 'Reverse of CH2 + CO + M13 -> CH2CO + M13' reacexp(394) = 'Reverse of CO + OH -> CO2 + H' reacexp(395) = 'Reverse of CO + OH -> CO2 + H' reacexp(396) = 'Reverse of CH + CO + M10 -> HCCO + M10' reacexp(397) = 'Reverse of CO + H2 + M9 -> CH2O + M9' reacexp(398) = 'Reverse of CO + HO2 -> CO2 + OH' reacexp(399) = 'Reverse of HCO + O -> CO2 + H' reacexp(400) = 'Reverse of HCO + O2 -> CO + HO2' reacexp(401) = 'Reverse of HCO + OH -> CO + H2O' reacexp(402) = 'Reverse of HCO + H2O -> CO + H + H2O' reacexp(403) = 'Reverse of HCO + H + M11 -> CH2O + M11' reacexp(404) = 'Reverse of CH3 + HCO -> CH4 + CO' reacexp(405) = 'Reverse of HCO + H -> CO + H2' reacexp(406) = 'Reverse of HCO + M8 -> CO + H + M8' reacexp(407) = 'Reverse of HCO + O -> CO + OH' reacexp(408) = 'Reverse of CH2O + H -> HCO + H2' reacexp(409) = 'Reverse of CH2O + CH -> CH2CO + H' reacexp(410) = 'Reverse of CH2O + O -> HCO + OH' reacexp(411) = 'Reverse of CH3 + CH2O -> CH4 + HCO' reacexp(412) = 'Reverse of CH2O + OH -> HCO + H2O' reacexp(413) = 'Reverse of CH2O + H + M16 -> CH3O + M16' reacexp(414) = 'Reverse of CH2O + HO2 -> HCO + H2O2' reacexp(415) = 'Reverse of CH2O + O2 -> HCO + HO2' reacexp(416) = 'Reverse of CH3O + OH -> CH2O + H2O' reacexp(417) = 'Reverse of CH3O + H -> CH2O + H2' reacexp(418) = 'Reverse of CH3O + O -> CH2O + OH' reacexp(419) = 'Reverse of CH3O + O2 -> CH2O + HO2' reacexp(420) = 'Reverse of CH3O + H -> CH3 + OH' reacexp(421) = 'Reverse of CH3O + H -> CH2D-CH2 + H2O' reacexp(422) = 'Reverse of 2.000000000 H + CO2 -> H2 + CO2' reacexp(423) = 'Reverse of CH + CO2 -> HCO + CO' reacexp(424) = 'Reverse of CH2D-CH2 + CO2 -> CH2O + CO' reacexp(425) = 'Reverse of CH2D-CH2 + CO2 -> CH2 + CO2' reacexp(426) = 'Reverse of C2H2 + CH3 -> AX-C3H5' reacexp(427) = 'Reverse of C2H2 + HCO -> C2H3 + CO' reacexp(428) = 'Reverse of C2H2 + OH -> CH2CO + H' reacexp(429) = 'Reverse of C2H2 + OH -> CH3 + CO' reacexp(430) = 'Reverse of C2H2 + O -> HCCO + H' reacexp(431) = 'Reverse of C2H2 + O -> CH2 + CO' reacexp(432) = 'Reverse of C2H3 + H -> C2H2 + H2' reacexp(433) = 'Reverse of C2H3 + M24 -> C2H2 + H + M24' reacexp(434) = 'Reverse of C2H3 + O -> CH3 + CO' reacexp(435) = 'Reverse of C2H3 + HO2 -> CH2CHO + OH' reacexp(436) = 'Reverse of C2H3 + CH3 -> AX-C3H5 + H' reacexp(437) = 'Reverse of C2H3 + CH3 + M30 -> C3H6 + M30' reacexp(438) = 'Reverse of C2H3 + H + M29 -> C2H4 + M29' reacexp(439) = 'Reverse of C2H3 + O2 -> C2H2 + HO2' reacexp(440) = 'Reverse of C2H3 + O2 -> CH2CHO + O' reacexp(441) = 'Reverse of C2H3 + O -> CH2CO + H' reacexp(442) = 'Reverse of C2H3 + OH -> C2H2 + H2O' reacexp(443) = 'Reverse of C2H3 + O2 -> HCO + CH2O' reacexp(444) = 'Reverse of C2H3 + CH3 -> C2H2 + CH4' reacexp(445) = 'Reverse of C2H3 + H2O2 -> C2H4 + HO2' reacexp(446) = 'Reverse of C2H4 + H -> C2H3 + H2' reacexp(447) = 'Reverse of C2H4 + O -> CH2 + CH2O' reacexp(448) = 'Reverse of C2H4 + OH -> C2H3 + H2O' reacexp(449) = 'Reverse of C2H4 + CH2D-CH2 -> AX-C3H5 + H' reacexp(450) = 'Reverse of C2H4 + H + M36 -> C2H5 + M36' reacexp(451) = 'Reverse of C2H4 + CH3 -> C2H3 + CH4' reacexp(452) = 'Reverse of C2H4 + O2 -> C2H3 + HO2' reacexp(453) = 'Reverse of C2H4 + O -> C2H3 + OH' reacexp(454) = 'Reverse of C2H4 + HCO -> C2H5 + CO' reacexp(455) = 'Reverse of C2H4 + CH2 -> AX-C3H5 + H' reacexp(456) = 'Reverse of C2H4 + O -> CH3 + HCO' reacexp(457) = 'Reverse of C2H5 + H + M37 -> C2H6 + M37' reacexp(458) = 'Reverse of C2H5 + O2 -> C2H4 + HO2' reacexp(459) = 'Reverse of C2H5 + H2O2 -> C2H6 + HO2' reacexp(460) = 'Reverse of C2H5 + O -> CH3 + CH2O' reacexp(461) = 'Reverse of C2H5 + HO2 -> CH3 + CH2O + OH' reacexp(462) = 'Reverse of C2H5 + HO2 -> C2H4 + H2O2' reacexp(463) = 'Reverse of C2H5 + HO2 -> C2H6 + O2' reacexp(464) = 'Reverse of C2H5 + H -> C2H4 + H2' reacexp(465) = 'Reverse of C2H6 + OH -> C2H5 + H2O' reacexp(466) = 'Reverse of C2H6 + H -> C2H5 + H2' reacexp(467) = 'Reverse of C2H6 + CH2D-CH2 -> C2H5 + CH3' reacexp(468) = 'Reverse of C2H6 + CH3 -> C2H5 + CH4' reacexp(469) = 'Reverse of C2H6 + O -> C2H5 + OH' reacexp(470) = 'Reverse of HCCO + O2 -> OH + 2.000000000 CO' reacexp(471) = 'Reverse of HCCO + H -> CH2D-CH2 + CO' reacexp(472) = 'Reverse of HCCO + O -> H + 2.000000000 CO' reacexp(473) = 'Reverse of CH3 + HCCO -> C2H4 + CO' reacexp(474) = 'Reverse of CH2CO + H + M28 -> CH2CHO + M28' reacexp(475) = 'Reverse of CH2CO + O -> CH2 + CO2' reacexp(476) = 'Reverse of CH2CO + H -> CH3 + CO' reacexp(477) = 'Reverse of CH2CO + H -> HCCO + H2' reacexp(478) = 'Reverse of CH2CO + O -> HCCO + OH' reacexp(479) = 'Reverse of CH2CO + OH -> HCCO + H2O' reacexp(480) = 'Reverse of CH2CHO + H -> CH2CO + H2' reacexp(481) = 'Reverse of CH2CHO + O2 -> CH2CO + HO2' reacexp(482) = 'Reverse of CH2CHO + O2 -> CH2O + CO + OH' reacexp(483) = 'Reverse of CH2CHO -> CH3 + CO' reacexp(484) = 'Reverse of CH2CHO + O -> CH2CO + OH' reacexp(485) = 'Reverse of CH2CHO + H -> CH3 + HCO' reacexp(486) = 'Reverse of CH2CHO + OH -> CH2CO + H2O' reacexp(487) = 'Reverse of AX-C3H5 + HO2 -> C3H6 + O2' reacexp(488) = 'Reverse of AX-C3H5 + H + M41 -> C3H6 + M41' reacexp(489) = 'Reverse of AX-C3H5 + HO2 -> OH + C2H3 + CH2O' reacexp(490) = 'Reverse of C3H6 + H -> AX-C3H5 + H2' reacexp(491) = 'Reverse of C3H6 + OH -> AX-C3H5 + H2O' reacexp(492) = 'Reverse of C3H6 + HO2 -> AX-C3H5 + H2O2' reacexp(493) = 'Reverse of C3H6 + O -> C2H5 + HCO' reacexp(494) = 'Reverse of C3H6 + CH3 -> AX-C3H5 + CH4' reacexp(495) = 'Reverse of C3H6 + O -> AX-C3H5 + OH' reacexp(496) = 'Reverse of C3H6 + O -> CH2CO + CH3 + H' reacexp(497) = 'Reverse of C3H6 + H -> C2H4 + CH3' reacexp(498) = 'Reverse of IX-C4H8 + H -> C3H6 + CH3' reacexp(499) = 'Reverse of IX-C4H8 + O -> 2.0000 CH3 + CH2CO' reacexp(500) = 'Reverse of C5H6 + H -> C2H2 + AX-C3H5' reacexp(501) = 'Reverse of C6H5 + CH3 -> C6H5CH3' reacexp(502) = 'Reverse of C6H5 + C2H6 -> C6H6 + C2H5' reacexp(503) = 'Reverse of C6H5 + CH2O -> C6H6 + HCO' reacexp(504) = 'Reverse of C6H5 + H + M65 -> C6H6 + M65' reacexp(505) = 'Reverse of C6H5 + HO2 -> C6H6 + O2' reacexp(506) = 'Reverse of C6H5 + CH4 -> C6H6 + CH3' reacexp(507) = 'Reverse of C6H5 + O2 -> C6H5O + O' reacexp(508) = 'Reverse of C6H5 + HO2 -> C6H5O + OH' reacexp(509) = 'Reverse of C6H5 + H2 -> C6H6 + H' reacexp(510) = 'Reverse of C6H5 + O2 -> C6H4O2 + H' reacexp(511) = 'Reverse of C6H5 + OH -> C6H5O + H' reacexp(512) = 'Reverse of C6H6 + OH -> C6H5 + H2O' reacexp(513) = 'Reverse of C6H6 + O -> C6H5O + H' reacexp(514) = 'Reverse of C6H5O + H -> C5H6 + CO' reacexp(515) = 'Reverse of C6H5O + O -> C6H4O2 + H' reacexp(516) = 'Reverse of C6H4O2 + O -> 2.000 CO + C2H2 + CH2CO' reacexp(517) = 'Reverse of C6H5CH3 + H -> C6H6 + CH3' reacexp(518) = 'Reverse of CH2D-CH2 + N2 -> CH2 + N2' end subroutine reaction_expressions ! --- Forward/Backward link --- ! subroutine reverse_reactions implicit none fofb = 0 ! Attach corresponding forward reaction to each backward reaction fofb(321) = 1 fofb(322) = 2 fofb(323) = 3 fofb(324) = 4 fofb(325) = 5 fofb(326) = 6 fofb(327) = 7 fofb(328) = 8 fofb(329) = 9 fofb(330) = 10 fofb(331) = 11 fofb(332) = 12 fofb(333) = 13 fofb(334) = 14 fofb(335) = 15 fofb(336) = 16 fofb(337) = 17 fofb(338) = 18 fofb(339) = 19 fofb(340) = 20 fofb(341) = 21 fofb(342) = 22 fofb(343) = 23 fofb(344) = 24 fofb(345) = 25 fofb(346) = 26 fofb(347) = 27 fofb(348) = 28 fofb(349) = 29 fofb(350) = 30 fofb(351) = 31 fofb(352) = 32 fofb(353) = 33 fofb(354) = 34 fofb(355) = 35 fofb(356) = 36 fofb(357) = 37 fofb(358) = 38 fofb(359) = 39 fofb(360) = 40 fofb(361) = 41 fofb(362) = 42 fofb(363) = 43 fofb(364) = 44 fofb(365) = 45 fofb(366) = 46 fofb(367) = 47 fofb(368) = 48 fofb(369) = 49 fofb(370) = 50 fofb(371) = 51 fofb(372) = 52 fofb(373) = 53 fofb(374) = 54 fofb(375) = 55 fofb(376) = 56 fofb(377) = 57 fofb(378) = 58 fofb(379) = 59 fofb(380) = 60 fofb(381) = 61 fofb(382) = 62 fofb(383) = 63 fofb(384) = 64 fofb(385) = 65 fofb(386) = 66 fofb(387) = 67 fofb(388) = 68 fofb(389) = 69 fofb(390) = 70 fofb(391) = 71 fofb(392) = 72 fofb(393) = 73 fofb(394) = 74 fofb(395) = 75 fofb(396) = 76 fofb(397) = 77 fofb(398) = 78 fofb(399) = 79 fofb(400) = 80 fofb(401) = 81 fofb(402) = 82 fofb(403) = 83 fofb(404) = 84 fofb(405) = 85 fofb(406) = 86 fofb(407) = 87 fofb(408) = 88 fofb(409) = 89 fofb(410) = 90 fofb(411) = 91 fofb(412) = 92 fofb(413) = 93 fofb(414) = 94 fofb(415) = 95 fofb(416) = 96 fofb(417) = 97 fofb(418) = 98 fofb(419) = 99 fofb(420) = 100 fofb(421) = 101 fofb(422) = 102 fofb(423) = 103 fofb(424) = 104 fofb(425) = 105 fofb(426) = 106 fofb(427) = 107 fofb(428) = 108 fofb(429) = 109 fofb(430) = 110 fofb(431) = 111 fofb(432) = 112 fofb(433) = 113 fofb(434) = 114 fofb(435) = 115 fofb(436) = 116 fofb(437) = 117 fofb(438) = 118 fofb(439) = 119 fofb(440) = 120 fofb(441) = 121 fofb(442) = 122 fofb(443) = 123 fofb(444) = 124 fofb(445) = 125 fofb(446) = 126 fofb(447) = 127 fofb(448) = 128 fofb(449) = 129 fofb(450) = 130 fofb(451) = 131 fofb(452) = 132 fofb(453) = 133 fofb(454) = 134 fofb(455) = 135 fofb(456) = 136 fofb(457) = 137 fofb(458) = 138 fofb(459) = 139 fofb(460) = 140 fofb(461) = 141 fofb(462) = 142 fofb(463) = 143 fofb(464) = 144 fofb(465) = 145 fofb(466) = 146 fofb(467) = 147 fofb(468) = 148 fofb(469) = 149 fofb(470) = 150 fofb(471) = 151 fofb(472) = 152 fofb(473) = 153 fofb(474) = 154 fofb(475) = 155 fofb(476) = 156 fofb(477) = 157 fofb(478) = 158 fofb(479) = 159 fofb(480) = 160 fofb(481) = 161 fofb(482) = 162 fofb(483) = 163 fofb(484) = 164 fofb(485) = 165 fofb(486) = 166 fofb(487) = 167 fofb(488) = 168 fofb(489) = 169 fofb(490) = 170 fofb(491) = 171 fofb(492) = 172 fofb(493) = 173 fofb(494) = 174 fofb(495) = 175 fofb(496) = 176 fofb(497) = 177 fofb(498) = 178 fofb(499) = 179 fofb(500) = 180 fofb(501) = 181 fofb(502) = 182 fofb(503) = 183 fofb(504) = 184 fofb(505) = 185 fofb(506) = 186 fofb(507) = 187 fofb(508) = 188 fofb(509) = 189 fofb(510) = 190 fofb(511) = 191 fofb(512) = 192 fofb(513) = 193 fofb(514) = 194 fofb(515) = 195 fofb(516) = 196 fofb(517) = 197 fofb(518) = 313 end subroutine reverse_reactions ! --- Evaluation of QSS concentrations --- ! subroutine get_QSS(cqss,c,k,M) implicit none real(pr), dimension(nqss) :: cqss real(pr), dimension(nspec) :: c real(pr), dimension(nreac) :: k real(pr), dimension(33) :: M real(pr) :: CN_denom1 & , CN_ct1 & , CN_denom2 & , CN_ct2 & , CN_NCO & , CN_C2H3 & , CN_HNO & , CN_CH2CHO & , CN_NCO_coeff & , CN_C2H3_coeff & , CN_HNO_coeff & , CN_CH2CHO_coeff real(pr) :: NH_denom1 & , NH_ct1 & , NH_denom2 & , NH_ct2 & , NH_C6H5 & , NH_C2H5 & , NH_CH3O & , NH_HCCO & , NH_CN & , NH_NCO & , NH_C2H3 & , NH_HNO & , NH_CH2CHO & , NH_C6H5_coeff & , NH_C2H5_coeff & , NH_CH3O_coeff & , NH_HCCO_coeff & , NH_CN_coeff & , NH_NCO_coeff & , NH_C2H3_coeff & , NH_HNO_coeff & , NH_CH2CHO_coeff real(pr) :: NCO_denom1 & , NCO_ct1 & , NCO_denom2 & , NCO_ct2 & , NCO_C2H3 & , NCO_HNO & , NCO_CH2CHO & , NCO_C2H3_coeff & , NCO_HNO_coeff & , NCO_CH2CHO_coeff real(pr) :: N_denom1 & , N_ct1 & , N_denom2 & , N_ct2 & , N_NH & , N_C6H5 & , N_C2H5 & , N_CH3O & , N_HCCO & , N_CN & , N_NCO & , N_C2H3 & , N_HNO & , N_CH2CHO & , N_NH_coeff & , N_C6H5_coeff & , N_C2H5_coeff & , N_CH3O_coeff & , N_HCCO_coeff & , N_CN_coeff & , N_NCO_coeff & , N_C2H3_coeff & , N_HNO_coeff & , N_CH2CHO_coeff real(pr) :: HNO_denom1 & , HNO_ct1 & , HNO_denom2 & , HNO_ct2 & , HNO_CH2CHO & , HNO_CH2CHO_coeff real(pr) :: CH2DXCH2_denom1 & , CH2DXCH2_ct1 & , CH2DXCH2_denom2 & , CH2DXCH2_ct2 & , CH2DXCH2_CH & , CH2DXCH2_HCO & , CH2DXCH2_AXXC3H5 & , CH2DXCH2_N & , CH2DXCH2_NH & , CH2DXCH2_C6H5 & , CH2DXCH2_C2H5 & , CH2DXCH2_CH3O & , CH2DXCH2_HCCO & , CH2DXCH2_CN & , CH2DXCH2_NCO & , CH2DXCH2_C2H3 & , CH2DXCH2_HNO & , CH2DXCH2_CH2CHO & , CH2DXCH2_CH_coeff & , CH2DXCH2_HCO_coeff & , CH2DXCH2_AXXC3H5_coeff & , CH2DXCH2_N_coeff & , CH2DXCH2_NH_coeff & , CH2DXCH2_C6H5_coeff & , CH2DXCH2_C2H5_coeff & , CH2DXCH2_CH3O_coeff & , CH2DXCH2_HCCO_coeff & , CH2DXCH2_CN_coeff & , CH2DXCH2_NCO_coeff & , CH2DXCH2_C2H3_coeff & , CH2DXCH2_HNO_coeff & , CH2DXCH2_CH2CHO_coeff real(pr) :: CH3O_denom1 & , CH3O_ct1 & , CH3O_denom2 & , CH3O_ct2 & , CH3O_HCCO & , CH3O_CN & , CH3O_NCO & , CH3O_C2H3 & , CH3O_HNO & , CH3O_CH2CHO & , CH3O_HCCO_coeff & , CH3O_CN_coeff & , CH3O_NCO_coeff & , CH3O_C2H3_coeff & , CH3O_HNO_coeff & , CH3O_CH2CHO_coeff real(pr) :: AXXC3H5_denom1 & , AXXC3H5_ct1 & , AXXC3H5_denom2 & , AXXC3H5_ct2 & , AXXC3H5_N & , AXXC3H5_NH & , AXXC3H5_C6H5 & , AXXC3H5_C2H5 & , AXXC3H5_CH3O & , AXXC3H5_HCCO & , AXXC3H5_CN & , AXXC3H5_NCO & , AXXC3H5_C2H3 & , AXXC3H5_HNO & , AXXC3H5_CH2CHO & , AXXC3H5_N_coeff & , AXXC3H5_NH_coeff & , AXXC3H5_C6H5_coeff & , AXXC3H5_C2H5_coeff & , AXXC3H5_CH3O_coeff & , AXXC3H5_HCCO_coeff & , AXXC3H5_CN_coeff & , AXXC3H5_NCO_coeff & , AXXC3H5_C2H3_coeff & , AXXC3H5_HNO_coeff & , AXXC3H5_CH2CHO_coeff real(pr) :: CH_denom1 & , CH_ct1 & , CH_denom2 & , CH_ct2 & , CH_HCO & , CH_AXXC3H5 & , CH_N & , CH_NH & , CH_C6H5 & , CH_C2H5 & , CH_CH3O & , CH_HCCO & , CH_CN & , CH_NCO & , CH_C2H3 & , CH_HNO & , CH_CH2CHO & , CH_HCO_coeff & , CH_AXXC3H5_coeff & , CH_N_coeff & , CH_NH_coeff & , CH_C6H5_coeff & , CH_C2H5_coeff & , CH_CH3O_coeff & , CH_HCCO_coeff & , CH_CN_coeff & , CH_NCO_coeff & , CH_C2H3_coeff & , CH_HNO_coeff & , CH_CH2CHO_coeff real(pr) :: CH2CHO_denom1 & , CH2CHO_ct1 & , CH2CHO_denom2 & , CH2CHO_ct2 real(pr) :: C2H3_denom1 & , C2H3_ct1 & , C2H3_denom2 & , C2H3_ct2 & , C2H3_HNO & , C2H3_CH2CHO & , C2H3_HNO_coeff & , C2H3_CH2CHO_coeff real(pr) :: CH2_denom1 & , CH2_ct1 & , CH2_denom2 & , CH2_ct2 & , CH2_CH2DXCH2 & , CH2_CH & , CH2_HCO & , CH2_AXXC3H5 & , CH2_N & , CH2_NH & , CH2_C6H5 & , CH2_C2H5 & , CH2_CH3O & , CH2_HCCO & , CH2_CN & , CH2_NCO & , CH2_C2H3 & , CH2_HNO & , CH2_CH2CHO & , CH2_CH2DXCH2_coeff & , CH2_CH_coeff & , CH2_HCO_coeff & , CH2_AXXC3H5_coeff & , CH2_N_coeff & , CH2_NH_coeff & , CH2_C6H5_coeff & , CH2_C2H5_coeff & , CH2_CH3O_coeff & , CH2_HCCO_coeff & , CH2_CN_coeff & , CH2_NCO_coeff & , CH2_C2H3_coeff & , CH2_HNO_coeff & , CH2_CH2CHO_coeff real(pr) :: C6H5_denom1 & , C6H5_ct1 & , C6H5_denom2 & , C6H5_ct2 & , C6H5_C2H5 & , C6H5_CH3O & , C6H5_HCCO & , C6H5_CN & , C6H5_NCO & , C6H5_C2H3 & , C6H5_HNO & , C6H5_CH2CHO & , C6H5_C2H5_coeff & , C6H5_CH3O_coeff & , C6H5_HCCO_coeff & , C6H5_CN_coeff & , C6H5_NCO_coeff & , C6H5_C2H3_coeff & , C6H5_HNO_coeff & , C6H5_CH2CHO_coeff real(pr) :: HCCO_denom1 & , HCCO_ct1 & , HCCO_denom2 & , HCCO_ct2 & , HCCO_CN & , HCCO_NCO & , HCCO_C2H3 & , HCCO_HNO & , HCCO_CH2CHO & , HCCO_CN_coeff & , HCCO_NCO_coeff & , HCCO_C2H3_coeff & , HCCO_HNO_coeff & , HCCO_CH2CHO_coeff real(pr) :: HCO_denom1 & , HCO_ct1 & , HCO_denom2 & , HCO_ct2 & , HCO_AXXC3H5 & , HCO_N & , HCO_NH & , HCO_C6H5 & , HCO_C2H5 & , HCO_CH3O & , HCO_HCCO & , HCO_CN & , HCO_NCO & , HCO_C2H3 & , HCO_HNO & , HCO_CH2CHO & , HCO_AXXC3H5_coeff & , HCO_N_coeff & , HCO_NH_coeff & , HCO_C6H5_coeff & , HCO_C2H5_coeff & , HCO_CH3O_coeff & , HCO_HCCO_coeff & , HCO_CN_coeff & , HCO_NCO_coeff & , HCO_C2H3_coeff & , HCO_HNO_coeff & , HCO_CH2CHO_coeff real(pr) :: C2H5_denom1 & , C2H5_ct1 & , C2H5_denom2 & , C2H5_ct2 & , C2H5_CH3O & , C2H5_HCCO & , C2H5_CN & , C2H5_NCO & , C2H5_C2H3 & , C2H5_HNO & , C2H5_CH2CHO & , C2H5_CH3O_coeff & , C2H5_HCCO_coeff & , C2H5_CN_coeff & , C2H5_NCO_coeff & , C2H5_C2H3_coeff & , C2H5_HNO_coeff & , C2H5_CH2CHO_coeff ! c(sCH2) c(sCH2DXCH2) c(sCH) c(sHCO) c(sAXXC3H5) c(sN) c(sNH) c(sC6H5) c(sC2H5) c(sCH3O) c(sHCCO) c(sCN) c(sNCO) c(sC2H3) c(sHNO) c(sCH2CHO) (coupled) -------------------- ! Primary denominators----------------------- CH2_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r32b) * c(sH)& + k(r34f) * c(sO2)& + k(r35f) * c(sH)& + k(r36f) * c(sO2)& + k(r38f) * c(sO)& + k(r40f) * c(sOH)& + k(r41f) * c(sHO2)& + k(r42f) * c(sH2)& + k(r43f) * c(sOH)& + k(r48b) * c(sH2O)& + k(r56f) * c(sCH3)& + k(r66b) * c(sH2O)& + k(r67f) * c(sCH4)& + k(r75b) * c(sCO)& + k(r76f) * c(sCO)& + k(r108b) * c(sCO2)& + k(r114b) * c(sCO)& + k(r132b) * c(sCH2O)& + k(r140f) * c(sC2H4)& + k(r164b) * c(sCO2)& + k(r254) * c(sNO)& + k(r263) * c(sNO)& + k(r284) * c(sNO2)& + k(r332b) * c(sN2)& + k(r334) * c(sN2)& + k(r337) * c(sN2)& ) CH2DXCH2_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r44f) * c(sH2)& + k(r45f) * c(sO)& + k(r46f) * c(sOH)& + k(r47f) * c(sO2)& + k(r48f) * c(sH2O)& + k(r49f) * c(sO)& + k(r50f) * c(sO2)& + k(r52f) * c(sH)& + k(r61b) * c(sH2O)& + k(r63f) * c(sCH3)& + k(r70f) * c(sCH4)& + k(r75f) * c(sCO)& + k(r104b) * c(sH2O)& + k(r107f) * c(sCO2)& + k(r108f) * c(sCO2)& + k(r134f) * c(sC2H4)& + k(r153f) * c(sC2H6)& + k(r158b) * c(sCO)& + k(r243) * c(sNO)& + k(r245) * c(sNO)& + k(r303) * c(sHCN)& + k(r332f) * c(sN2)& ) CH_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r29f) * c(sO)& + k(r30f) * c(sOH)& + k(r31f) * c(sH2O)& + k(r32f) * c(sH2)& + k(r33f) * c(sO2)& + k(r43b) * c(sH2O)& + k(r52b) * c(sH2)& + k(r62f) * c(sCH3)& + k(r69f) * c(sCH4)& + k(r79f) * c(sCO)& + k(r92f) * c(sCH2O)& + k(r106f) * c(sCO2)& + k(r247) * c(sNO)& + k(r253) * c(sNO)& + k(r282) * c(sNO2)& + k(r336) * c(sN2)& ) HCO_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r30b) * c(sH)& + k(r33b) * c(sO)& + k(r34b) * c(sOH)& + k(r38b) * c(sH)& + k(r45b) * c(sH)& + k(r82f) * c(sO)& + k(r83f) * c(sO2)& + k(r84f) * c(sOH)& + k(r85f) * c(sH2O)& + k(r86f) * c(sH)& + k(r87f) * c(sCH3)& + k(r88f) * c(sH)& + k(r89f) * M(mM8)& + k(r90f) * c(sO)& + k(r91b) * c(sH2)& + k(r93b) * c(sOH)& + k(r94b) * c(sCH4)& + k(r95b) * c(sH2O)& + k(r97b) * c(sH2O2)& + k(r98b) * c(sHO2)& + k(r106b) * c(sCO)& + k(r110f) * c(sC2H2)& + k(r128b) * c(sCH2O)& + k(r139f) * c(sC2H4)& + k(r141b) * c(sCH3)& + k(r174b) * c(sCH3) & ! Ajout C2H5 ! & + k(r183b) * 1.0e-8_pr& + k(r183b) * C2H5_subs& + k(r193b) * c(sC6H6)& + k(r240) * c(sNO)& + k(r260) * c(sNO)& + k(r279) * c(sNO2)& + k(r310) * c(sHCN)& ) AXXC3H5_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r109b)& + k(r120b) * c(sH)& + k(r134b) * c(sH)& + k(r140b) * c(sH)& + k(r176f) * c(sHO2)& + k(r178f) * c(sH)& + k(r179f) * c(sHO2)& + k(r180b) * c(sH2)& + k(r181b) * c(sH2O)& + k(r182b) * c(sH2O2)& + k(r184b) * c(sCH4)& + k(r185b) * c(sOH)& + k(r190b) * c(sC2H2)& ) N_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r215) * c(sOH)& + k(r216) * c(sO2)& + k(r217) * c(sCO) * M(mM244)& + k(r218) * c(sCH3)& + k(r220) * c(sCO2)& + k(r222) * c(sCO)& + k(r224) * c(sH2O)& + k(r225) * c(sH2)& + k(r262) * c(sNO)& + k(r306) * c(sHCN)& ) NH_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r226) * c(sH)& + k(r227) * c(sCO)& + k(r229) * c(sO2)& + k(r231) * c(sO2)& + k(r232) * c(sOH)& + k(r233) * c(sO)& + k(r234) * c(sCO)& + k(r235) * c(sOH)& + k(r248) * c(sNO)& ) C6H5_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r191f) * c(sCH3)& + k(r192f) * c(sC2H6)& + k(r193f) * c(sCH2O)& + k(r194f) * c(sH)& + k(r195f) * c(sHO2)& + k(r196f) * c(sCH4)& + k(r197f) * c(sO2)& + k(r198f) * c(sHO2)& + k(r199f) * c(sH2)& + k(r200f) * c(sO2)& + k(r201f) * c(sOH)& + k(r202b) * c(sH2O)& ) C2H5_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r57b) * c(sH)& + k(r135b)& + k(r139b) * c(sCO)& + k(r142f) * c(sH)& + k(r143f) * c(sO2)& + k(r144f) * c(sH2O2)& + k(r145f) * c(sO)& + k(r146f) * c(sHO2)& + k(r147f) * c(sHO2)& + k(r148f) * c(sHO2)& + k(r150f) * c(sH)& + k(r151b) * c(sH2O)& + k(r152b) * c(sH2)& + k(r153b) * c(sCH3)& + k(r154b) * c(sCH4)& + k(r155b) * c(sOH) & ! Ajout C2H5& + k(r183b) * 1.0e-10_pr& + k(r192b) * c(sC6H6)& + k(r308) * c(sHCN)& ) CH3O_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r53b) * c(sOH)& + k(r65b) * c(sO)& + k(r96b)& + k(r99f) * c(sOH)& + k(r100f) * c(sH)& + k(r101f) * c(sO)& + k(r102f) * c(sO2)& + k(r103f) * c(sH)& + k(r104f) * c(sH)& ) CN_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r286) * c(sO)& + k(r287) * c(sH2O)& + k(r288) * c(sOH)& + k(r289) * c(sC2H4)& + k(r290) * c(sO2)& + k(r291) * c(sC2H6)& + k(r292) * c(sH2)& + k(r293) * c(sOH)& + k(r294) * c(sCO2)& + k(r295) * c(sCH4)& + k(r296) * c(sCH3)& + k(r297) * c(sCH2CO)& ) NCO_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r316) * c(sH)& + k(r318) * c(sH)& + k(r319) * c(sNO)& + k(r320) * c(sO)& + k(r321) * c(sO2)& + k(r322) * c(sO)& + k(r323) * c(sCO)& + k(r325) * c(sC2H2)& + k(r326) * c(sOH)& + k(r327) * M(mM243)& + k(r328) * c(sH)& + k(r329) * c(sNO2)& ) HNO_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r269) * c(sO)& + k(r270) * c(sOH)& + k(r271) * c(sO)& + k(r272) * c(sH)& + k(r273) * c(sH)& + k(r274) * c(sO2)& + k(r275) * c(sC2H2)& + k(r276) * c(sCO)& + k(r277) * M(mM232)& + k(r339) * c(sN2)& ) C2H3_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r62b) * c(sH)& + k(r110b) * c(sCO)& + k(r115f) * c(sH)& + k(r116f)& + k(r118f) * c(sO)& + k(r119f) * c(sHO2)& + k(r120f) * c(sCH3)& + k(r121f) * c(sCH3)& + k(r122f) * c(sH)& + k(r123f) * c(sO2)& + k(r124f) * c(sO2)& + k(r126f) * c(sO)& + k(r127f) * c(sOH)& + k(r128f) * c(sO2)& + k(r129f) * c(sCH3)& + k(r130f) * c(sH2O2)& + k(r131b) * c(sH2)& + k(r133b) * c(sH2O)& + k(r136b) * c(sCH4)& + k(r137b) * c(sHO2)& + k(r138b) * c(sOH)& + k(r179b) * c(sCH2O) * c(sOH)& + k(r261) * c(sNO)& + k(r304) * c(sHCN)& ) HCCO_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r79b)& + k(r113b) * c(sH)& + k(r156f) * c(sO2)& + k(r158f) * c(sH)& + k(r159f) * c(sO)& + k(r162f) * c(sCH3)& + k(r166b) * c(sH2)& + k(r167b) * c(sOH)& + k(r168b) * c(sH2O)& + k(r258) * c(sNO)& + k(r311) * c(sHCN)& + k(r313) * c(sHCN)& ) CH2CHO_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r119b) * c(sOH)& + k(r124b) * c(sO)& + k(r163b)& + k(r169f) * c(sH)& + k(r170f) * c(sO2)& + k(r171f) * c(sO2)& + k(r172f)& + k(r173f) * c(sO)& + k(r174f) * c(sH)& + k(r175f) * c(sOH)& ) ! Primary constant parts ----------------------- CH2_ct1 = ( 0.0_pr & + k(r35b) * c(sCH3)& + k(r36b) * c(sH) * c(sH) * c(sCO2)& + k(r40b) * c(sH) * c(sCH2O)& + k(r41b) * c(sOH) * c(sCH2O)& + k(r42b) * c(sCH3) * c(sH)& + k(r56b) * c(sH) * c(sC2H4)& + k(r66f) * c(sCH3) * c(sOH)& + k(r67b) * c(sCH3) * c(sCH3)& + k(r76b) * c(sCH2CO)& + k(r114f) * c(sC2H2) * c(sO)& + k(r132f) * c(sC2H4) * c(sO)& + k(r164f) * c(sCH2CO) * c(sO)& ) CH2DXCH2_ct1 = ( 0.0_pr & + k(r44b) * c(sH) * c(sCH3)& + k(r46b) * c(sH) * c(sCH2O)& + k(r47b) * c(sH2O) * c(sCO)& + k(r49b) * c(sH2) * c(sCO)& + k(r50b) * c(sCO) * c(sOH) * c(sH)& + k(r61f) * c(sCH3) * c(sOH)& + k(r63b) * c(sH) * c(sC2H4)& + k(r70b) * c(sCH3) * c(sCH3)& + k(r107b) * c(sCO) * c(sCH2O) & ! Ajout C2H5 ! & + k(r153b) * c(sCH3) * c(sC2H5)& ) CH_ct1 = ( 0.0_pr & + k(r29b) * c(sH) * c(sCO)& + k(r31b) * c(sH) * c(sCH2O)& + k(r69b) * c(sH) * c(sC2H4)& + k(r92b) * c(sH) * c(sCH2CO)& + k(r305) * c(sHCN) * c(sO)& ) HCO_ct1 = ( 0.0_pr & + k(r82b) * c(sH) * c(sCO2)& + k(r83b) * c(sHO2) * c(sCO)& + k(r84b) * c(sH2O) * c(sCO)& + k(r85b) * c(sH2O) * c(sH) * c(sCO)& + k(r86b) * c(sCH2O)& + k(r87b) * c(sCO) * c(sCH4)& + k(r88b) * c(sH2) * c(sCO)& + k(r89b) * c(sH) * c(sCO) * M(mM8)& + k(r90b) * c(sOH) * c(sCO)& + k(r91f) * c(sCH2O) * c(sH)& + k(r93f) * c(sCH2O) * c(sO)& + k(r94f) * c(sCH3) * c(sCH2O)& + k(r95f) * c(sCH2O) * c(sOH)& + k(r97f) * c(sCH2O) * c(sHO2)& + k(r98f) * c(sCH2O) * c(sO2) & !Ajout C2H5 ! & + k(r139b) * c(sCO) * c(sC2H5)& + k(r141f) * c(sC2H4) * c(sO)& + k(r183f) * c(sC3H6) * c(sO)& + k(r236) * c(sC2H2) * c(sNO)& ) AXXC3H5_ct1 = ( 0.0_pr & + k(r109f) * c(sC2H2) * c(sCH3)& + k(r176b) * c(sO2) * c(sC3H6)& + k(r178b) * c(sC3H6)& + k(r180f) * c(sC3H6) * c(sH)& + k(r181f) * c(sC3H6) * c(sOH)& + k(r182f) * c(sC3H6) * c(sHO2)& + k(r184f) * c(sC3H6) * c(sCH3)& + k(r185f) * c(sC3H6) * c(sO)& + k(r190f) * c(sC5H6) * c(sH)& ) N_ct1 = ( 0.0_pr & + k(r246) * c(sNO) * c(sO)& + k(r267) * c(sNO) * c(sCO)& + k(r268) * c(sNO) * c(sH)& + k(r331) * c(sN2) * c(sO)& + k(r338) * c(sN2) * c(sH)& ) NH_ct1 = ( 0.0_pr & + k(r239) * c(sNO) * c(sOH)& + k(r264) * c(sNO) * c(sH)& + k(r312) * c(sHCN) * c(sO)& + k(r333) * c(sN2) * c(sOH)& + k(r338) * c(sN2) * c(sH)& ) C6H5_ct1 = ( 0.0_pr & + k(r191b) * c(sC6H5CH3) & !Ajout C2H5 ! & + k(r192b) * c(sC2H5) * c(sC6H6)& + k(r194b) * c(sC6H6)& + k(r195b) * c(sO2) * c(sC6H6)& + k(r196b) * c(sCH3) * c(sC6H6)& + k(r197b) * c(sO) * c(sC6H5O)& + k(r198b) * c(sOH) * c(sC6H5O)& + k(r199b) * c(sH) * c(sC6H6)& + k(r200b) * c(sH) * c(sC6H4O2)& + k(r201b) * c(sH) * c(sC6H5O)& + k(r202f) * c(sC6H6) * c(sOH)& ) C2H5_ct1 = ( 0.0_pr & + k(r57f) * c(sCH3) * c(sCH3)& + k(r135f) * c(sC2H4) * c(sH)& + k(r142b) * c(sC2H6)& + k(r143b) * c(sHO2) * c(sC2H4)& + k(r144b) * c(sHO2) * c(sC2H6)& + k(r145b) * c(sCH2O) * c(sCH3)& + k(r146b) * c(sOH) * c(sCH2O) * c(sCH3)& + k(r147b) * c(sH2O2) * c(sC2H4)& + k(r148b) * c(sO2) * c(sC2H6)& + k(r150b) * c(sH2) * c(sC2H4)& + k(r151f) * c(sC2H6) * c(sOH)& + k(r152f) * c(sC2H6) * c(sH)& + k(r154f) * c(sC2H6) * c(sCH3)& + k(r155f) * c(sC2H6) * c(sO) & !Ajout C2H5& + k(r183f) * c(sC3H6) * c(sO)& ) CH3O_ct1 = ( 0.0_pr & + k(r53f) * c(sCH3) * c(sHO2)& + k(r65f) * c(sCH3) * c(sO2)& + k(r96f) * c(sCH2O) * c(sH)& + k(r99b) * c(sH2O) * c(sCH2O)& + k(r100b) * c(sH2) * c(sCH2O)& + k(r101b) * c(sOH) * c(sCH2O)& + k(r102b) * c(sHO2) * c(sCH2O)& + k(r103b) * c(sOH) * c(sCH3)& ) CN_ct1 = ( 0.0_pr & + k(r298) * c(sHCN) * c(sH)& + k(r300) * c(sHCN) * c(sOH)& + k(r307) * c(sCH3) * c(sHCN) & !Ajout C2H5 ! & + k(r308) * c(sC2H5) * c(sHCN)& + k(r309) * c(sHCN) * c(sO)& ) NCO_ct1 = ( 0.0_pr & + k(r250) * c(sNO) * c(sCO2)& + k(r256) * c(sNO) * c(sCO)& + k(r302) * c(sHCN) * c(sO)& + k(r330) * c(sN2) * c(sCO2)& ) HNO_ct1 = ( 0.0_pr & + k(r244) * c(sNO) * c(sOH)& + k(r251) * c(sNO) * c(sH2O)& + k(r252) * c(sH2) * c(sNO)& + k(r255) * c(sNO) * c(sH) * M(mM231)& + k(r259) * c(sHO2) * c(sNO)& + k(r340) * c(sNO) * c(sH) * c(sN2)& ) C2H3_ct1 = ( 0.0_pr & + k(r115b) * c(sH2) * c(sC2H2)& + k(r116b) * c(sH) * c(sC2H2)& + k(r118b) * c(sCO) * c(sCH3)& + k(r121b) * c(sC3H6)& + k(r122b) * c(sC2H4)& + k(r123b) * c(sHO2) * c(sC2H2)& + k(r126b) * c(sH) * c(sCH2CO)& + k(r127b) * c(sH2O) * c(sC2H2)& + k(r129b) * c(sCH4) * c(sC2H2)& + k(r130b) * c(sHO2) * c(sC2H4)& + k(r131f) * c(sC2H4) * c(sH)& + k(r133f) * c(sC2H4) * c(sOH)& + k(r136f) * c(sC2H4) * c(sCH3)& + k(r137f) * c(sC2H4) * c(sO2)& + k(r138f) * c(sC2H4) * c(sO)& ) HCCO_ct1 = ( 0.0_pr & + k(r113f) * c(sC2H2) * c(sO)& + k(r156b) * c(sCO) * c(sCO) * c(sOH)& + k(r159b) * c(sCO) * c(sCO) * c(sH)& + k(r162b) * c(sCO) * c(sC2H4)& + k(r166f) * c(sCH2CO) * c(sH)& + k(r167f) * c(sCH2CO) * c(sO)& + k(r168f) * c(sCH2CO) * c(sOH)& ) CH2CHO_ct1 = ( 0.0_pr & + k(r163f) * c(sCH2CO) * c(sH)& + k(r169b) * c(sH2) * c(sCH2CO)& + k(r170b) * c(sHO2) * c(sCH2CO)& + k(r171b) * c(sOH) * c(sCO) * c(sCH2O)& + k(r172b) * c(sCO) * c(sCH3)& + k(r173b) * c(sOH) * c(sCH2CO)& + k(r175b) * c(sH2O) * c(sCH2CO)& ) ! CH2 --------------------------------------- CH2_denom2 = tiny(1.0_pr) + ( CH2_denom1 & ) CH2_ct2 = ( CH2_ct1 & ) / CH2_denom2 CH2_CH2DXCH2 = ( 0.0_pr & + k(r48f) * c(sH2O)+ & k(r75f) * c(sCO)+ & k(r108f) * c(sCO2)+ & k(r243) * c(sNO)+ & k(r332f) * c(sN2)& ) / CH2_denom2 CH2_CH = ( 0.0_pr & + k(r32f) * c(sH2)+ & k(r43b) * c(sH2O) & ) / CH2_denom2 CH2_HCO = ( 0.0_pr & + k(r34b) * c(sOH) + & k(r38b) * c(sH) & ) / CH2_denom2 CH2_AXXC3H5 = ( 0.0_pr & + k(r140b) * c(sH) & ) / CH2_denom2 CH2_N = ( 0.0_pr & ) / CH2_denom2 CH2_NH = ( 0.0_pr & ) / CH2_denom2 CH2_C6H5 = ( 0.0_pr & ) / CH2_denom2 CH2_C2H5 = ( 0.0_pr & ) / CH2_denom2 CH2_CH3O = ( 0.0_pr & ) / CH2_denom2 CH2_HCCO = ( 0.0_pr & ) / CH2_denom2 CH2_CN = ( 0.0_pr & ) / CH2_denom2 CH2_NCO = ( 0.0_pr & ) / CH2_denom2 CH2_C2H3 = ( 0.0_pr & ) / CH2_denom2 CH2_HNO = ( 0.0_pr & ) / CH2_denom2 CH2_CH2CHO = ( 0.0_pr & ) / CH2_denom2 CH2_CH2DXCH2_coeff = ( 0.0_pr & + k(r48b) * c(sH2O) + & k(r75b) * c(sCO) + & k(r108b) * c(sCO2) + & k(r254) * c(sNO)+ & k(r332b) * c(sN2) & ) CH2_CH_coeff = ( 0.0_pr & + k(r32b) * c(sH) + & k(r43f) * c(sOH)& ) CH2_HCO_coeff = ( 0.0_pr & + k(r34f) * c(sO2)+ & k(r38f) * c(sO)& ) CH2_AXXC3H5_coeff = ( 0.0_pr & + k(r140f) * c(sC2H4) & ) CH2_N_coeff = ( 0.0_pr & + k(r337) * c(sN2) & ) CH2_NH_coeff = ( 0.0_pr & + k(r334) * c(sN2) & ) CH2_C6H5_coeff = ( 0.0_pr & ) CH2_C2H5_coeff = ( 0.0_pr & ) CH2_CH3O_coeff = ( 0.0_pr & ) CH2_HCCO_coeff = ( 0.0_pr & ) CH2_CN_coeff = ( 0.0_pr & ) CH2_NCO_coeff = ( 0.0_pr & ) CH2_C2H3_coeff = ( 0.0_pr & ) CH2_HNO_coeff = ( 0.0_pr & ) CH2_CH2CHO_coeff = ( 0.0_pr & ) ! CH2DXCH2 --------------------------------------- CH2DXCH2_denom2 = tiny(1.0_pr) + ( CH2DXCH2_denom1 & - CH2_CH2DXCH2_coeff * CH2_CH2DXCH2 & ) CH2DXCH2_ct2 = ( CH2DXCH2_ct1 & + CH2_CH2DXCH2_coeff * CH2_ct2 & ) / CH2DXCH2_denom2 CH2DXCH2_CH = ( 0.0_pr & + k(r52b) * c(sH2) & + CH2_CH2DXCH2_coeff * CH2_CH& ) / CH2DXCH2_denom2 CH2DXCH2_HCO = ( 0.0_pr & + k(r45b) * c(sH) & + CH2_CH2DXCH2_coeff * CH2_HCO& ) / CH2DXCH2_denom2 CH2DXCH2_AXXC3H5 = ( 0.0_pr & + k(r134b) * c(sH) & + CH2_CH2DXCH2_coeff * CH2_AXXC3H5& ) / CH2DXCH2_denom2 CH2DXCH2_N = ( 0.0_pr & + CH2_CH2DXCH2_coeff * CH2_N& ) / CH2DXCH2_denom2 CH2DXCH2_NH = ( 0.0_pr & + CH2_CH2DXCH2_coeff * CH2_NH& ) / CH2DXCH2_denom2 CH2DXCH2_C6H5 = ( 0.0_pr & + CH2_CH2DXCH2_coeff * CH2_C6H5& ) / CH2DXCH2_denom2 CH2DXCH2_C2H5 = ( 0.0_pr & + k(r153b) * c(sCH3) & + CH2_CH2DXCH2_coeff * CH2_C2H5& ) / CH2DXCH2_denom2 CH2DXCH2_CH3O = ( 0.0_pr & + k(r104f) * c(sH)& + CH2_CH2DXCH2_coeff * CH2_CH3O& ) / CH2DXCH2_denom2 CH2DXCH2_HCCO = ( 0.0_pr & + k(r158f) * c(sH)& + CH2_CH2DXCH2_coeff * CH2_HCCO& ) / CH2DXCH2_denom2 CH2DXCH2_CN = ( 0.0_pr & + k(r296) * c(sCH3) & + CH2_CH2DXCH2_coeff * CH2_CN& ) / CH2DXCH2_denom2 CH2DXCH2_NCO = ( 0.0_pr & + CH2_CH2DXCH2_coeff * CH2_NCO& ) / CH2DXCH2_denom2 CH2DXCH2_C2H3 = ( 0.0_pr & + CH2_CH2DXCH2_coeff * CH2_C2H3& ) / CH2DXCH2_denom2 CH2DXCH2_HNO = ( 0.0_pr & + CH2_CH2DXCH2_coeff * CH2_HNO& ) / CH2DXCH2_denom2 CH2DXCH2_CH2CHO = ( 0.0_pr & + CH2_CH2DXCH2_coeff * CH2_CH2CHO& ) / CH2DXCH2_denom2 CH2DXCH2_CH_coeff = ( 0.0_pr & + k(r52f) * c(sH)& + CH2_CH_coeff * CH2_CH2DXCH2 & ) CH2DXCH2_HCO_coeff = ( 0.0_pr & + k(r45f) * c(sO)& + CH2_HCO_coeff * CH2_CH2DXCH2 & ) CH2DXCH2_AXXC3H5_coeff = ( 0.0_pr & + k(r134f) * c(sC2H4) & + CH2_AXXC3H5_coeff * CH2_CH2DXCH2 & ) CH2DXCH2_N_coeff = ( 0.0_pr & + CH2_N_coeff * CH2_CH2DXCH2 & ) CH2DXCH2_NH_coeff = ( 0.0_pr & + CH2_NH_coeff * CH2_CH2DXCH2 & ) CH2DXCH2_C6H5_coeff = ( 0.0_pr & + CH2_C6H5_coeff * CH2_CH2DXCH2 & ) CH2DXCH2_C2H5_coeff = ( 0.0_pr & + k(r153f) * c(sC2H6) & + CH2_C2H5_coeff * CH2_CH2DXCH2 & ) CH2DXCH2_CH3O_coeff = ( 0.0_pr & + k(r104b) * c(sH2O) & + CH2_CH3O_coeff * CH2_CH2DXCH2 & ) CH2DXCH2_HCCO_coeff = ( 0.0_pr & + k(r158b) * c(sCO) & + CH2_HCCO_coeff * CH2_CH2DXCH2 & ) CH2DXCH2_CN_coeff = ( 0.0_pr & + k(r303) * c(sHCN) & + CH2_CN_coeff * CH2_CH2DXCH2 & ) CH2DXCH2_NCO_coeff = ( 0.0_pr & + CH2_NCO_coeff * CH2_CH2DXCH2 & ) CH2DXCH2_C2H3_coeff = ( 0.0_pr & + CH2_C2H3_coeff * CH2_CH2DXCH2 & ) CH2DXCH2_HNO_coeff = ( 0.0_pr & + CH2_HNO_coeff * CH2_CH2DXCH2 & ) CH2DXCH2_CH2CHO_coeff = ( 0.0_pr & + CH2_CH2CHO_coeff * CH2_CH2DXCH2 & ) ! CH --------------------------------------- CH_denom2 = tiny(1.0_pr) + ( CH_denom1 & - CH2_CH_coeff * CH2_CH & - CH2DXCH2_CH_coeff * CH2DXCH2_CH & ) CH_ct2 = ( CH_ct1 & + CH2_CH_coeff * CH2_ct2 & + CH2DXCH2_CH_coeff * CH2DXCH2_ct2 & ) / CH_denom2 CH_HCO = ( 0.0_pr & + k(r30b) * c(sH) + & k(r33b) * c(sO) + & k(r106b) * c(sCO) & + CH2_CH_coeff * CH2_HCO& + CH2DXCH2_CH_coeff * CH2DXCH2_HCO& ) / CH_denom2 CH_AXXC3H5 = ( 0.0_pr & + CH2_CH_coeff * CH2_AXXC3H5& + CH2DXCH2_CH_coeff * CH2DXCH2_AXXC3H5& ) / CH_denom2 CH_N = ( 0.0_pr & + k(r306) * c(sHCN) & + CH2_CH_coeff * CH2_N& + CH2DXCH2_CH_coeff * CH2DXCH2_N& ) / CH_denom2 CH_NH = ( 0.0_pr & + CH2_CH_coeff * CH2_NH& + CH2DXCH2_CH_coeff * CH2DXCH2_NH& ) / CH_denom2 CH_C6H5 = ( 0.0_pr & + CH2_CH_coeff * CH2_C6H5& + CH2DXCH2_CH_coeff * CH2DXCH2_C6H5& ) / CH_denom2 CH_C2H5 = ( 0.0_pr & + CH2_CH_coeff * CH2_C2H5& + CH2DXCH2_CH_coeff * CH2DXCH2_C2H5& ) / CH_denom2 CH_CH3O = ( 0.0_pr & + CH2_CH_coeff * CH2_CH3O& + CH2DXCH2_CH_coeff * CH2DXCH2_CH3O& ) / CH_denom2 CH_HCCO = ( 0.0_pr & + k(r79b) & + CH2_CH_coeff * CH2_HCCO& + CH2DXCH2_CH_coeff * CH2DXCH2_HCCO& ) / CH_denom2 CH_CN = ( 0.0_pr & + CH2_CH_coeff * CH2_CN& + CH2DXCH2_CH_coeff * CH2DXCH2_CN& ) / CH_denom2 CH_NCO = ( 0.0_pr & + CH2_CH_coeff * CH2_NCO& + CH2DXCH2_CH_coeff * CH2DXCH2_NCO& ) / CH_denom2 CH_C2H3 = ( 0.0_pr & + k(r62b) * c(sH) & + CH2_CH_coeff * CH2_C2H3& + CH2DXCH2_CH_coeff * CH2DXCH2_C2H3& ) / CH_denom2 CH_HNO = ( 0.0_pr & + CH2_CH_coeff * CH2_HNO& + CH2DXCH2_CH_coeff * CH2DXCH2_HNO& ) / CH_denom2 CH_CH2CHO = ( 0.0_pr & + CH2_CH_coeff * CH2_CH2CHO& + CH2DXCH2_CH_coeff * CH2DXCH2_CH2CHO& ) / CH_denom2 CH_HCO_coeff = ( 0.0_pr & + k(r30f) * c(sOH)+ & k(r33f) * c(sO2)+ & k(r106f) * c(sCO2)+ & k(r282) * c(sNO2) & + CH2_HCO_coeff * CH2_CH & + CH2DXCH2_HCO_coeff * CH2DXCH2_CH & ) CH_AXXC3H5_coeff = ( 0.0_pr & + CH2_AXXC3H5_coeff * CH2_CH & + CH2DXCH2_AXXC3H5_coeff * CH2DXCH2_CH & ) CH_N_coeff = ( 0.0_pr & + k(r336) * c(sN2) & + CH2_N_coeff * CH2_CH & + CH2DXCH2_N_coeff * CH2DXCH2_CH & ) CH_NH_coeff = ( 0.0_pr & + CH2_NH_coeff * CH2_CH & + CH2DXCH2_NH_coeff * CH2DXCH2_CH & ) CH_C6H5_coeff = ( 0.0_pr & + CH2_C6H5_coeff * CH2_CH & + CH2DXCH2_C6H5_coeff * CH2DXCH2_CH & ) CH_C2H5_coeff = ( 0.0_pr & + CH2_C2H5_coeff * CH2_CH & + CH2DXCH2_C2H5_coeff * CH2DXCH2_CH & ) CH_CH3O_coeff = ( 0.0_pr & + CH2_CH3O_coeff * CH2_CH & + CH2DXCH2_CH3O_coeff * CH2DXCH2_CH & ) CH_HCCO_coeff = ( 0.0_pr & + k(r79f) * c(sCO)& + CH2_HCCO_coeff * CH2_CH & + CH2DXCH2_HCCO_coeff * CH2DXCH2_CH & ) CH_CN_coeff = ( 0.0_pr & + CH2_CN_coeff * CH2_CH & + CH2DXCH2_CN_coeff * CH2DXCH2_CH & ) CH_NCO_coeff = ( 0.0_pr & + k(r247) * c(sNO)& + CH2_NCO_coeff * CH2_CH & + CH2DXCH2_NCO_coeff * CH2DXCH2_CH & ) CH_C2H3_coeff = ( 0.0_pr & + k(r62f) * c(sCH3) & + CH2_C2H3_coeff * CH2_CH & + CH2DXCH2_C2H3_coeff * CH2DXCH2_CH & ) CH_HNO_coeff = ( 0.0_pr & + CH2_HNO_coeff * CH2_CH & + CH2DXCH2_HNO_coeff * CH2DXCH2_CH & ) CH_CH2CHO_coeff = ( 0.0_pr & + CH2_CH2CHO_coeff * CH2_CH & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_CH & ) ! HCO --------------------------------------- HCO_denom2 = tiny(1.0_pr) + ( HCO_denom1 & - CH2_HCO_coeff * CH2_HCO & - CH2DXCH2_HCO_coeff * CH2DXCH2_HCO & - CH_HCO_coeff * CH_HCO & ) HCO_ct2 = ( HCO_ct1 & + CH2_HCO_coeff * CH2_ct2 & + CH2DXCH2_HCO_coeff * CH2DXCH2_ct2 & + CH_HCO_coeff * CH_ct2 & ) / HCO_denom2 HCO_AXXC3H5 = ( 0.0_pr & + CH2_HCO_coeff * CH2_AXXC3H5& + CH2DXCH2_HCO_coeff * CH2DXCH2_AXXC3H5& + CH_HCO_coeff * CH_AXXC3H5& ) / HCO_denom2 HCO_N = ( 0.0_pr & + CH2_HCO_coeff * CH2_N& + CH2DXCH2_HCO_coeff * CH2DXCH2_N& + CH_HCO_coeff * CH_N& ) / HCO_denom2 HCO_NH = ( 0.0_pr & + CH2_HCO_coeff * CH2_NH& + CH2DXCH2_HCO_coeff * CH2DXCH2_NH& + CH_HCO_coeff * CH_NH& ) / HCO_denom2 HCO_C6H5 = ( 0.0_pr & + k(r193f) * c(sCH2O)& + CH2_HCO_coeff * CH2_C6H5& + CH2DXCH2_HCO_coeff * CH2DXCH2_C6H5& + CH_HCO_coeff * CH_C6H5& ) / HCO_denom2 HCO_C2H5 = ( 0.0_pr & + k(r139b) * c(sCO) & + CH2_HCO_coeff * CH2_C2H5& + CH2DXCH2_HCO_coeff * CH2DXCH2_C2H5& + CH_HCO_coeff * CH_C2H5& ) / HCO_denom2 HCO_CH3O = ( 0.0_pr & + CH2_HCO_coeff * CH2_CH3O& + CH2DXCH2_HCO_coeff * CH2DXCH2_CH3O& + CH_HCO_coeff * CH_CH3O& ) / HCO_denom2 HCO_HCCO = ( 0.0_pr & + CH2_HCO_coeff * CH2_HCCO& + CH2DXCH2_HCO_coeff * CH2DXCH2_HCCO& + CH_HCO_coeff * CH_HCCO& ) / HCO_denom2 HCO_CN = ( 0.0_pr & + CH2_HCO_coeff * CH2_CN& + CH2DXCH2_HCO_coeff * CH2DXCH2_CN& + CH_HCO_coeff * CH_CN& ) / HCO_denom2 HCO_NCO = ( 0.0_pr & + k(r326) * c(sOH)& + CH2_HCO_coeff * CH2_NCO& + CH2DXCH2_HCO_coeff * CH2DXCH2_NCO& + CH_HCO_coeff * CH_NCO& ) / HCO_denom2 HCO_C2H3 = ( 0.0_pr & + k(r110b) * c(sCO) + & k(r128f) * c(sO2)& + CH2_HCO_coeff * CH2_C2H3& + CH2DXCH2_HCO_coeff * CH2DXCH2_C2H3& + CH_HCO_coeff * CH_C2H3& ) / HCO_denom2 HCO_HNO = ( 0.0_pr & + k(r276) * c(sCO)& + CH2_HCO_coeff * CH2_HNO& + CH2DXCH2_HCO_coeff * CH2DXCH2_HNO& + CH_HCO_coeff * CH_HNO& ) / HCO_denom2 HCO_CH2CHO = ( 0.0_pr & + k(r174f) * c(sH)& + CH2_HCO_coeff * CH2_CH2CHO& + CH2DXCH2_HCO_coeff * CH2DXCH2_CH2CHO& + CH_HCO_coeff * CH_CH2CHO& ) / HCO_denom2 HCO_AXXC3H5_coeff = ( 0.0_pr & + CH2_AXXC3H5_coeff * CH2_HCO & + CH2DXCH2_AXXC3H5_coeff * CH2DXCH2_HCO & + CH_AXXC3H5_coeff * CH_HCO & ) HCO_N_coeff = ( 0.0_pr & + CH2_N_coeff * CH2_HCO & + CH2DXCH2_N_coeff * CH2DXCH2_HCO & + CH_N_coeff * CH_HCO & ) HCO_NH_coeff = ( 0.0_pr & + CH2_NH_coeff * CH2_HCO & + CH2DXCH2_NH_coeff * CH2DXCH2_HCO & + CH_NH_coeff * CH_HCO & ) HCO_C6H5_coeff = ( 0.0_pr & + k(r193b) * c(sC6H6)& + CH2_C6H5_coeff * CH2_HCO & + CH2DXCH2_C6H5_coeff * CH2DXCH2_HCO & + CH_C6H5_coeff * CH_HCO & ) HCO_C2H5_coeff = ( 0.0_pr & + k(r139f) * c(sC2H4) & + CH2_C2H5_coeff * CH2_HCO & + CH2DXCH2_C2H5_coeff * CH2DXCH2_HCO & + CH_C2H5_coeff * CH_HCO & ) HCO_CH3O_coeff = ( 0.0_pr & + CH2_CH3O_coeff * CH2_HCO & + CH2DXCH2_CH3O_coeff * CH2DXCH2_HCO & + CH_CH3O_coeff * CH_HCO & ) HCO_HCCO_coeff = ( 0.0_pr & + CH2_HCCO_coeff * CH2_HCO & + CH2DXCH2_HCCO_coeff * CH2DXCH2_HCO & + CH_HCCO_coeff * CH_HCO & ) HCO_CN_coeff = ( 0.0_pr & + CH2_CN_coeff * CH2_HCO & + CH2DXCH2_CN_coeff * CH2DXCH2_HCO & + CH_CN_coeff * CH_HCO & ) HCO_NCO_coeff = ( 0.0_pr & + k(r260) * c(sNO) & + CH2_NCO_coeff * CH2_HCO & + CH2DXCH2_NCO_coeff * CH2DXCH2_HCO & + CH_NCO_coeff * CH_HCO & ) HCO_C2H3_coeff = ( 0.0_pr & + k(r110f) * c(sC2H2) + & k(r128b) * c(sCH2O) & + CH2_C2H3_coeff * CH2_HCO & + CH2DXCH2_C2H3_coeff * CH2DXCH2_HCO & + CH_C2H3_coeff * CH_HCO & ) HCO_HNO_coeff = ( 0.0_pr & + k(r240) * c(sNO) & + CH2_HNO_coeff * CH2_HCO & + CH2DXCH2_HNO_coeff * CH2DXCH2_HCO & + CH_HNO_coeff * CH_HCO & ) HCO_CH2CHO_coeff = ( 0.0_pr & + k(r174b) * c(sCH3)& + CH2_CH2CHO_coeff * CH2_HCO & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_HCO & + CH_CH2CHO_coeff * CH_HCO & ) ! AXXC3H5 --------------------------------------- AXXC3H5_denom2 = tiny(1.0_pr) + ( AXXC3H5_denom1 & - CH2_AXXC3H5_coeff * CH2_AXXC3H5 & - CH2DXCH2_AXXC3H5_coeff * CH2DXCH2_AXXC3H5 & - CH_AXXC3H5_coeff * CH_AXXC3H5 & - HCO_AXXC3H5_coeff * HCO_AXXC3H5 & ) AXXC3H5_ct2 = ( AXXC3H5_ct1 & + CH2_AXXC3H5_coeff * CH2_ct2 & + CH2DXCH2_AXXC3H5_coeff * CH2DXCH2_ct2 & + CH_AXXC3H5_coeff * CH_ct2 & + HCO_AXXC3H5_coeff * HCO_ct2 & ) / AXXC3H5_denom2 AXXC3H5_N = ( 0.0_pr & + CH2_AXXC3H5_coeff * CH2_N& + CH2DXCH2_AXXC3H5_coeff * CH2DXCH2_N& + CH_AXXC3H5_coeff * CH_N& + HCO_AXXC3H5_coeff * HCO_N& ) / AXXC3H5_denom2 AXXC3H5_NH = ( 0.0_pr & + CH2_AXXC3H5_coeff * CH2_NH& + CH2DXCH2_AXXC3H5_coeff * CH2DXCH2_NH& + CH_AXXC3H5_coeff * CH_NH& + HCO_AXXC3H5_coeff * HCO_NH& ) / AXXC3H5_denom2 AXXC3H5_C6H5 = ( 0.0_pr & + CH2_AXXC3H5_coeff * CH2_C6H5& + CH2DXCH2_AXXC3H5_coeff * CH2DXCH2_C6H5& + CH_AXXC3H5_coeff * CH_C6H5& + HCO_AXXC3H5_coeff * HCO_C6H5& ) / AXXC3H5_denom2 AXXC3H5_C2H5 = ( 0.0_pr & + CH2_AXXC3H5_coeff * CH2_C2H5& + CH2DXCH2_AXXC3H5_coeff * CH2DXCH2_C2H5& + CH_AXXC3H5_coeff * CH_C2H5& + HCO_AXXC3H5_coeff * HCO_C2H5& ) / AXXC3H5_denom2 AXXC3H5_CH3O = ( 0.0_pr & + CH2_AXXC3H5_coeff * CH2_CH3O& + CH2DXCH2_AXXC3H5_coeff * CH2DXCH2_CH3O& + CH_AXXC3H5_coeff * CH_CH3O& + HCO_AXXC3H5_coeff * HCO_CH3O& ) / AXXC3H5_denom2 AXXC3H5_HCCO = ( 0.0_pr & + CH2_AXXC3H5_coeff * CH2_HCCO& + CH2DXCH2_AXXC3H5_coeff * CH2DXCH2_HCCO& + CH_AXXC3H5_coeff * CH_HCCO& + HCO_AXXC3H5_coeff * HCO_HCCO& ) / AXXC3H5_denom2 AXXC3H5_CN = ( 0.0_pr & + CH2_AXXC3H5_coeff * CH2_CN& + CH2DXCH2_AXXC3H5_coeff * CH2DXCH2_CN& + CH_AXXC3H5_coeff * CH_CN& + HCO_AXXC3H5_coeff * HCO_CN& ) / AXXC3H5_denom2 AXXC3H5_NCO = ( 0.0_pr & + CH2_AXXC3H5_coeff * CH2_NCO& + CH2DXCH2_AXXC3H5_coeff * CH2DXCH2_NCO& + CH_AXXC3H5_coeff * CH_NCO& + HCO_AXXC3H5_coeff * HCO_NCO& ) / AXXC3H5_denom2 AXXC3H5_C2H3 = ( 0.0_pr & + k(r120f) * c(sCH3)+ & k(r179b) * c(sCH2O) * c(sOH)& + CH2_AXXC3H5_coeff * CH2_C2H3& + CH2DXCH2_AXXC3H5_coeff * CH2DXCH2_C2H3& + CH_AXXC3H5_coeff * CH_C2H3& + HCO_AXXC3H5_coeff * HCO_C2H3& ) / AXXC3H5_denom2 AXXC3H5_HNO = ( 0.0_pr & + CH2_AXXC3H5_coeff * CH2_HNO& + CH2DXCH2_AXXC3H5_coeff * CH2DXCH2_HNO& + CH_AXXC3H5_coeff * CH_HNO& + HCO_AXXC3H5_coeff * HCO_HNO& ) / AXXC3H5_denom2 AXXC3H5_CH2CHO = ( 0.0_pr & + CH2_AXXC3H5_coeff * CH2_CH2CHO& + CH2DXCH2_AXXC3H5_coeff * CH2DXCH2_CH2CHO& + CH_AXXC3H5_coeff * CH_CH2CHO& + HCO_AXXC3H5_coeff * HCO_CH2CHO& ) / AXXC3H5_denom2 AXXC3H5_N_coeff = ( 0.0_pr & + CH2_N_coeff * CH2_AXXC3H5 & + CH2DXCH2_N_coeff * CH2DXCH2_AXXC3H5 & + CH_N_coeff * CH_AXXC3H5 & + HCO_N_coeff * HCO_AXXC3H5 & ) AXXC3H5_NH_coeff = ( 0.0_pr & + CH2_NH_coeff * CH2_AXXC3H5 & + CH2DXCH2_NH_coeff * CH2DXCH2_AXXC3H5 & + CH_NH_coeff * CH_AXXC3H5 & + HCO_NH_coeff * HCO_AXXC3H5 & ) AXXC3H5_C6H5_coeff = ( 0.0_pr & + CH2_C6H5_coeff * CH2_AXXC3H5 & + CH2DXCH2_C6H5_coeff * CH2DXCH2_AXXC3H5 & + CH_C6H5_coeff * CH_AXXC3H5 & + HCO_C6H5_coeff * HCO_AXXC3H5 & ) AXXC3H5_C2H5_coeff = ( 0.0_pr & + CH2_C2H5_coeff * CH2_AXXC3H5 & + CH2DXCH2_C2H5_coeff * CH2DXCH2_AXXC3H5 & + CH_C2H5_coeff * CH_AXXC3H5 & + HCO_C2H5_coeff * HCO_AXXC3H5 & ) AXXC3H5_CH3O_coeff = ( 0.0_pr & + CH2_CH3O_coeff * CH2_AXXC3H5 & + CH2DXCH2_CH3O_coeff * CH2DXCH2_AXXC3H5 & + CH_CH3O_coeff * CH_AXXC3H5 & + HCO_CH3O_coeff * HCO_AXXC3H5 & ) AXXC3H5_HCCO_coeff = ( 0.0_pr & + CH2_HCCO_coeff * CH2_AXXC3H5 & + CH2DXCH2_HCCO_coeff * CH2DXCH2_AXXC3H5 & + CH_HCCO_coeff * CH_AXXC3H5 & + HCO_HCCO_coeff * HCO_AXXC3H5 & ) AXXC3H5_CN_coeff = ( 0.0_pr & + CH2_CN_coeff * CH2_AXXC3H5 & + CH2DXCH2_CN_coeff * CH2DXCH2_AXXC3H5 & + CH_CN_coeff * CH_AXXC3H5 & + HCO_CN_coeff * HCO_AXXC3H5 & ) AXXC3H5_NCO_coeff = ( 0.0_pr & + CH2_NCO_coeff * CH2_AXXC3H5 & + CH2DXCH2_NCO_coeff * CH2DXCH2_AXXC3H5 & + CH_NCO_coeff * CH_AXXC3H5 & + HCO_NCO_coeff * HCO_AXXC3H5 & ) AXXC3H5_C2H3_coeff = ( 0.0_pr & + k(r120b) * c(sH) + & k(r179f) * c(sHO2)& + CH2_C2H3_coeff * CH2_AXXC3H5 & + CH2DXCH2_C2H3_coeff * CH2DXCH2_AXXC3H5 & + CH_C2H3_coeff * CH_AXXC3H5 & + HCO_C2H3_coeff * HCO_AXXC3H5 & ) AXXC3H5_HNO_coeff = ( 0.0_pr & + CH2_HNO_coeff * CH2_AXXC3H5 & + CH2DXCH2_HNO_coeff * CH2DXCH2_AXXC3H5 & + CH_HNO_coeff * CH_AXXC3H5 & + HCO_HNO_coeff * HCO_AXXC3H5 & ) AXXC3H5_CH2CHO_coeff = ( 0.0_pr & + CH2_CH2CHO_coeff * CH2_AXXC3H5 & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_AXXC3H5 & + CH_CH2CHO_coeff * CH_AXXC3H5 & + HCO_CH2CHO_coeff * HCO_AXXC3H5 & ) ! N --------------------------------------- N_denom2 = tiny(1.0_pr) + ( N_denom1 & - CH2_N_coeff * CH2_N & - CH2DXCH2_N_coeff * CH2DXCH2_N & - CH_N_coeff * CH_N & - HCO_N_coeff * HCO_N & - AXXC3H5_N_coeff * AXXC3H5_N & ) N_ct2 = ( N_ct1 & + CH2_N_coeff * CH2_ct2 & + CH2DXCH2_N_coeff * CH2DXCH2_ct2 & + CH_N_coeff * CH_ct2 & + HCO_N_coeff * HCO_ct2 & + AXXC3H5_N_coeff * AXXC3H5_ct2 & ) / N_denom2 N_NH = ( 0.0_pr & + k(r226) * c(sH)+ & k(r235) * c(sOH)& + CH2_N_coeff * CH2_NH& + CH2DXCH2_N_coeff * CH2DXCH2_NH& + CH_N_coeff * CH_NH& + HCO_N_coeff * HCO_NH& + AXXC3H5_N_coeff * AXXC3H5_NH& ) / N_denom2 N_C6H5 = ( 0.0_pr & + CH2_N_coeff * CH2_C6H5& + CH2DXCH2_N_coeff * CH2DXCH2_C6H5& + CH_N_coeff * CH_C6H5& + HCO_N_coeff * HCO_C6H5& + AXXC3H5_N_coeff * AXXC3H5_C6H5& ) / N_denom2 N_C2H5 = ( 0.0_pr & + CH2_N_coeff * CH2_C2H5& + CH2DXCH2_N_coeff * CH2DXCH2_C2H5& + CH_N_coeff * CH_C2H5& + HCO_N_coeff * HCO_C2H5& + AXXC3H5_N_coeff * AXXC3H5_C2H5& ) / N_denom2 N_CH3O = ( 0.0_pr & + CH2_N_coeff * CH2_CH3O& + CH2DXCH2_N_coeff * CH2DXCH2_CH3O& + CH_N_coeff * CH_CH3O& + HCO_N_coeff * HCO_CH3O& + AXXC3H5_N_coeff * AXXC3H5_CH3O& ) / N_denom2 N_HCCO = ( 0.0_pr & + CH2_N_coeff * CH2_HCCO& + CH2DXCH2_N_coeff * CH2DXCH2_HCCO& + CH_N_coeff * CH_HCCO& + HCO_N_coeff * HCO_HCCO& + AXXC3H5_N_coeff * AXXC3H5_HCCO& ) / N_denom2 N_CN = ( 0.0_pr & + k(r286) * c(sO)& + CH2_N_coeff * CH2_CN& + CH2DXCH2_N_coeff * CH2DXCH2_CN& + CH_N_coeff * CH_CN& + HCO_N_coeff * HCO_CN& + AXXC3H5_N_coeff * AXXC3H5_CN& ) / N_denom2 N_NCO = ( 0.0_pr & + k(r327) * M(mM243)& + CH2_N_coeff * CH2_NCO& + CH2DXCH2_N_coeff * CH2DXCH2_NCO& + CH_N_coeff * CH_NCO& + HCO_N_coeff * HCO_NCO& + AXXC3H5_N_coeff * AXXC3H5_NCO& ) / N_denom2 N_C2H3 = ( 0.0_pr & + CH2_N_coeff * CH2_C2H3& + CH2DXCH2_N_coeff * CH2DXCH2_C2H3& + CH_N_coeff * CH_C2H3& + HCO_N_coeff * HCO_C2H3& + AXXC3H5_N_coeff * AXXC3H5_C2H3& ) / N_denom2 N_HNO = ( 0.0_pr & + CH2_N_coeff * CH2_HNO& + CH2DXCH2_N_coeff * CH2DXCH2_HNO& + CH_N_coeff * CH_HNO& + HCO_N_coeff * HCO_HNO& + AXXC3H5_N_coeff * AXXC3H5_HNO& ) / N_denom2 N_CH2CHO = ( 0.0_pr & + CH2_N_coeff * CH2_CH2CHO& + CH2DXCH2_N_coeff * CH2DXCH2_CH2CHO& + CH_N_coeff * CH_CH2CHO& + HCO_N_coeff * HCO_CH2CHO& + AXXC3H5_N_coeff * AXXC3H5_CH2CHO& ) / N_denom2 N_NH_coeff = ( 0.0_pr & + k(r224) * c(sH2O)+ & k(r225) * c(sH2)& + CH2_NH_coeff * CH2_N & + CH2DXCH2_NH_coeff * CH2DXCH2_N & + CH_NH_coeff * CH_N & + HCO_NH_coeff * HCO_N & + AXXC3H5_NH_coeff * AXXC3H5_N & ) N_C6H5_coeff = ( 0.0_pr & + CH2_C6H5_coeff * CH2_N & + CH2DXCH2_C6H5_coeff * CH2DXCH2_N & + CH_C6H5_coeff * CH_N & + HCO_C6H5_coeff * HCO_N & + AXXC3H5_C6H5_coeff * AXXC3H5_N & ) N_C2H5_coeff = ( 0.0_pr & + CH2_C2H5_coeff * CH2_N & + CH2DXCH2_C2H5_coeff * CH2DXCH2_N & + CH_C2H5_coeff * CH_N & + HCO_C2H5_coeff * HCO_N & + AXXC3H5_C2H5_coeff * AXXC3H5_N & ) N_CH3O_coeff = ( 0.0_pr & + CH2_CH3O_coeff * CH2_N & + CH2DXCH2_CH3O_coeff * CH2DXCH2_N & + CH_CH3O_coeff * CH_N & + HCO_CH3O_coeff * HCO_N & + AXXC3H5_CH3O_coeff * AXXC3H5_N & ) N_HCCO_coeff = ( 0.0_pr & + CH2_HCCO_coeff * CH2_N & + CH2DXCH2_HCCO_coeff * CH2DXCH2_N & + CH_HCCO_coeff * CH_N & + HCO_HCCO_coeff * HCO_N & + AXXC3H5_HCCO_coeff * AXXC3H5_N & ) N_CN_coeff = ( 0.0_pr & + k(r222) * c(sCO) & + CH2_CN_coeff * CH2_N & + CH2DXCH2_CN_coeff * CH2DXCH2_N & + CH_CN_coeff * CH_N & + HCO_CN_coeff * HCO_N & + AXXC3H5_CN_coeff * AXXC3H5_N & ) N_NCO_coeff = ( 0.0_pr & + k(r217) * c(sCO) * M(mM244)& + CH2_NCO_coeff * CH2_N & + CH2DXCH2_NCO_coeff * CH2DXCH2_N & + CH_NCO_coeff * CH_N & + HCO_NCO_coeff * HCO_N & + AXXC3H5_NCO_coeff * AXXC3H5_N & ) N_C2H3_coeff = ( 0.0_pr & + CH2_C2H3_coeff * CH2_N & + CH2DXCH2_C2H3_coeff * CH2DXCH2_N & + CH_C2H3_coeff * CH_N & + HCO_C2H3_coeff * HCO_N & + AXXC3H5_C2H3_coeff * AXXC3H5_N & ) N_HNO_coeff = ( 0.0_pr & + CH2_HNO_coeff * CH2_N & + CH2DXCH2_HNO_coeff * CH2DXCH2_N & + CH_HNO_coeff * CH_N & + HCO_HNO_coeff * HCO_N & + AXXC3H5_HNO_coeff * AXXC3H5_N & ) N_CH2CHO_coeff = ( 0.0_pr & + CH2_CH2CHO_coeff * CH2_N & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_N & + CH_CH2CHO_coeff * CH_N & + HCO_CH2CHO_coeff * HCO_N & + AXXC3H5_CH2CHO_coeff * AXXC3H5_N & ) ! NH --------------------------------------- NH_denom2 = tiny(1.0_pr) + ( NH_denom1 & - CH2_NH_coeff * CH2_NH & - CH2DXCH2_NH_coeff * CH2DXCH2_NH & - CH_NH_coeff * CH_NH & - HCO_NH_coeff * HCO_NH & - AXXC3H5_NH_coeff * AXXC3H5_NH & - N_NH_coeff * N_NH & ) NH_ct2 = ( NH_ct1 & + CH2_NH_coeff * CH2_ct2 & + CH2DXCH2_NH_coeff * CH2DXCH2_ct2 & + CH_NH_coeff * CH_ct2 & + HCO_NH_coeff * HCO_ct2 & + AXXC3H5_NH_coeff * AXXC3H5_ct2 & + N_NH_coeff * N_ct2 & ) / NH_denom2 NH_C6H5 = ( 0.0_pr & + CH2_NH_coeff * CH2_C6H5& + CH2DXCH2_NH_coeff * CH2DXCH2_C6H5& + CH_NH_coeff * CH_C6H5& + HCO_NH_coeff * HCO_C6H5& + AXXC3H5_NH_coeff * AXXC3H5_C6H5& + N_NH_coeff * N_C6H5& ) / NH_denom2 NH_C2H5 = ( 0.0_pr & + CH2_NH_coeff * CH2_C2H5& + CH2DXCH2_NH_coeff * CH2DXCH2_C2H5& + CH_NH_coeff * CH_C2H5& + HCO_NH_coeff * HCO_C2H5& + AXXC3H5_NH_coeff * AXXC3H5_C2H5& + N_NH_coeff * N_C2H5& ) / NH_denom2 NH_CH3O = ( 0.0_pr & + CH2_NH_coeff * CH2_CH3O& + CH2DXCH2_NH_coeff * CH2DXCH2_CH3O& + CH_NH_coeff * CH_CH3O& + HCO_NH_coeff * HCO_CH3O& + AXXC3H5_NH_coeff * AXXC3H5_CH3O& + N_NH_coeff * N_CH3O& ) / NH_denom2 NH_HCCO = ( 0.0_pr & + CH2_NH_coeff * CH2_HCCO& + CH2DXCH2_NH_coeff * CH2DXCH2_HCCO& + CH_NH_coeff * CH_HCCO& + HCO_NH_coeff * HCO_HCCO& + AXXC3H5_NH_coeff * AXXC3H5_HCCO& + N_NH_coeff * N_HCCO& ) / NH_denom2 NH_CN = ( 0.0_pr & + CH2_NH_coeff * CH2_CN& + CH2DXCH2_NH_coeff * CH2DXCH2_CN& + CH_NH_coeff * CH_CN& + HCO_NH_coeff * HCO_CN& + AXXC3H5_NH_coeff * AXXC3H5_CN& + N_NH_coeff * N_CN& ) / NH_denom2 NH_NCO = ( 0.0_pr & + k(r316) * c(sH)& + CH2_NH_coeff * CH2_NCO& + CH2DXCH2_NH_coeff * CH2DXCH2_NCO& + CH_NH_coeff * CH_NCO& + HCO_NH_coeff * HCO_NCO& + AXXC3H5_NH_coeff * AXXC3H5_NCO& + N_NH_coeff * N_NCO& ) / NH_denom2 NH_C2H3 = ( 0.0_pr & + CH2_NH_coeff * CH2_C2H3& + CH2DXCH2_NH_coeff * CH2DXCH2_C2H3& + CH_NH_coeff * CH_C2H3& + HCO_NH_coeff * HCO_C2H3& + AXXC3H5_NH_coeff * AXXC3H5_C2H3& + N_NH_coeff * N_C2H3& ) / NH_denom2 NH_HNO = ( 0.0_pr & + k(r269) * c(sO)+ & k(r272) * c(sH)& + CH2_NH_coeff * CH2_HNO& + CH2DXCH2_NH_coeff * CH2DXCH2_HNO& + CH_NH_coeff * CH_HNO& + HCO_NH_coeff * HCO_HNO& + AXXC3H5_NH_coeff * AXXC3H5_HNO& + N_NH_coeff * N_HNO& ) / NH_denom2 NH_CH2CHO = ( 0.0_pr & + CH2_NH_coeff * CH2_CH2CHO& + CH2DXCH2_NH_coeff * CH2DXCH2_CH2CHO& + CH_NH_coeff * CH_CH2CHO& + HCO_NH_coeff * HCO_CH2CHO& + AXXC3H5_NH_coeff * AXXC3H5_CH2CHO& + N_NH_coeff * N_CH2CHO& ) / NH_denom2 NH_C6H5_coeff = ( 0.0_pr & + CH2_C6H5_coeff * CH2_NH & + CH2DXCH2_C6H5_coeff * CH2DXCH2_NH & + CH_C6H5_coeff * CH_NH & + HCO_C6H5_coeff * HCO_NH & + AXXC3H5_C6H5_coeff * AXXC3H5_NH & + N_C6H5_coeff * N_NH & ) NH_C2H5_coeff = ( 0.0_pr & + CH2_C2H5_coeff * CH2_NH & + CH2DXCH2_C2H5_coeff * CH2DXCH2_NH & + CH_C2H5_coeff * CH_NH & + HCO_C2H5_coeff * HCO_NH & + AXXC3H5_C2H5_coeff * AXXC3H5_NH & + N_C2H5_coeff * N_NH & ) NH_CH3O_coeff = ( 0.0_pr & + CH2_CH3O_coeff * CH2_NH & + CH2DXCH2_CH3O_coeff * CH2DXCH2_NH & + CH_CH3O_coeff * CH_NH & + HCO_CH3O_coeff * HCO_NH & + AXXC3H5_CH3O_coeff * AXXC3H5_NH & + N_CH3O_coeff * N_NH & ) NH_HCCO_coeff = ( 0.0_pr & + CH2_HCCO_coeff * CH2_NH & + CH2DXCH2_HCCO_coeff * CH2DXCH2_NH & + CH_HCCO_coeff * CH_NH & + HCO_HCCO_coeff * HCO_NH & + AXXC3H5_HCCO_coeff * AXXC3H5_NH & + N_HCCO_coeff * N_NH & ) NH_CN_coeff = ( 0.0_pr & + CH2_CN_coeff * CH2_NH & + CH2DXCH2_CN_coeff * CH2DXCH2_NH & + CH_CN_coeff * CH_NH & + HCO_CN_coeff * HCO_NH & + AXXC3H5_CN_coeff * AXXC3H5_NH & + N_CN_coeff * N_NH & ) NH_NCO_coeff = ( 0.0_pr & + k(r234) * c(sCO)& + CH2_NCO_coeff * CH2_NH & + CH2DXCH2_NCO_coeff * CH2DXCH2_NH & + CH_NCO_coeff * CH_NH & + HCO_NCO_coeff * HCO_NH & + AXXC3H5_NCO_coeff * AXXC3H5_NH & + N_NCO_coeff * N_NH & ) NH_C2H3_coeff = ( 0.0_pr & + CH2_C2H3_coeff * CH2_NH & + CH2DXCH2_C2H3_coeff * CH2DXCH2_NH & + CH_C2H3_coeff * CH_NH & + HCO_C2H3_coeff * HCO_NH & + AXXC3H5_C2H3_coeff * AXXC3H5_NH & + N_C2H3_coeff * N_NH & ) NH_HNO_coeff = ( 0.0_pr & + k(r231) * c(sO2)+ & k(r232) * c(sOH)& + CH2_HNO_coeff * CH2_NH & + CH2DXCH2_HNO_coeff * CH2DXCH2_NH & + CH_HNO_coeff * CH_NH & + HCO_HNO_coeff * HCO_NH & + AXXC3H5_HNO_coeff * AXXC3H5_NH & + N_HNO_coeff * N_NH & ) NH_CH2CHO_coeff = ( 0.0_pr & + CH2_CH2CHO_coeff * CH2_NH & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_NH & + CH_CH2CHO_coeff * CH_NH & + HCO_CH2CHO_coeff * HCO_NH & + AXXC3H5_CH2CHO_coeff * AXXC3H5_NH & + N_CH2CHO_coeff * N_NH & ) ! C6H5 --------------------------------------- C6H5_denom2 = tiny(1.0_pr) + ( C6H5_denom1 & - CH2_C6H5_coeff * CH2_C6H5 & - CH2DXCH2_C6H5_coeff * CH2DXCH2_C6H5 & - CH_C6H5_coeff * CH_C6H5 & - HCO_C6H5_coeff * HCO_C6H5 & - AXXC3H5_C6H5_coeff * AXXC3H5_C6H5 & - N_C6H5_coeff * N_C6H5 & - NH_C6H5_coeff * NH_C6H5 & ) C6H5_ct2 = ( C6H5_ct1 & + CH2_C6H5_coeff * CH2_ct2 & + CH2DXCH2_C6H5_coeff * CH2DXCH2_ct2 & + CH_C6H5_coeff * CH_ct2 & + HCO_C6H5_coeff * HCO_ct2 & + AXXC3H5_C6H5_coeff * AXXC3H5_ct2 & + N_C6H5_coeff * N_ct2 & + NH_C6H5_coeff * NH_ct2 & ) / C6H5_denom2 C6H5_C2H5 = ( 0.0_pr & + k(r192b) * c(sC6H6)& + CH2_C6H5_coeff * CH2_C2H5& + CH2DXCH2_C6H5_coeff * CH2DXCH2_C2H5& + CH_C6H5_coeff * CH_C2H5& + HCO_C6H5_coeff * HCO_C2H5& + AXXC3H5_C6H5_coeff * AXXC3H5_C2H5& + N_C6H5_coeff * N_C2H5& + NH_C6H5_coeff * NH_C2H5& ) / C6H5_denom2 C6H5_CH3O = ( 0.0_pr & + CH2_C6H5_coeff * CH2_CH3O& + CH2DXCH2_C6H5_coeff * CH2DXCH2_CH3O& + CH_C6H5_coeff * CH_CH3O& + HCO_C6H5_coeff * HCO_CH3O& + AXXC3H5_C6H5_coeff * AXXC3H5_CH3O& + N_C6H5_coeff * N_CH3O& + NH_C6H5_coeff * NH_CH3O& ) / C6H5_denom2 C6H5_HCCO = ( 0.0_pr & + CH2_C6H5_coeff * CH2_HCCO& + CH2DXCH2_C6H5_coeff * CH2DXCH2_HCCO& + CH_C6H5_coeff * CH_HCCO& + HCO_C6H5_coeff * HCO_HCCO& + AXXC3H5_C6H5_coeff * AXXC3H5_HCCO& + N_C6H5_coeff * N_HCCO& + NH_C6H5_coeff * NH_HCCO& ) / C6H5_denom2 C6H5_CN = ( 0.0_pr & + CH2_C6H5_coeff * CH2_CN& + CH2DXCH2_C6H5_coeff * CH2DXCH2_CN& + CH_C6H5_coeff * CH_CN& + HCO_C6H5_coeff * HCO_CN& + AXXC3H5_C6H5_coeff * AXXC3H5_CN& + N_C6H5_coeff * N_CN& + NH_C6H5_coeff * NH_CN& ) / C6H5_denom2 C6H5_NCO = ( 0.0_pr & + CH2_C6H5_coeff * CH2_NCO& + CH2DXCH2_C6H5_coeff * CH2DXCH2_NCO& + CH_C6H5_coeff * CH_NCO& + HCO_C6H5_coeff * HCO_NCO& + AXXC3H5_C6H5_coeff * AXXC3H5_NCO& + N_C6H5_coeff * N_NCO& + NH_C6H5_coeff * NH_NCO& ) / C6H5_denom2 C6H5_C2H3 = ( 0.0_pr & + CH2_C6H5_coeff * CH2_C2H3& + CH2DXCH2_C6H5_coeff * CH2DXCH2_C2H3& + CH_C6H5_coeff * CH_C2H3& + HCO_C6H5_coeff * HCO_C2H3& + AXXC3H5_C6H5_coeff * AXXC3H5_C2H3& + N_C6H5_coeff * N_C2H3& + NH_C6H5_coeff * NH_C2H3& ) / C6H5_denom2 C6H5_HNO = ( 0.0_pr & + CH2_C6H5_coeff * CH2_HNO& + CH2DXCH2_C6H5_coeff * CH2DXCH2_HNO& + CH_C6H5_coeff * CH_HNO& + HCO_C6H5_coeff * HCO_HNO& + AXXC3H5_C6H5_coeff * AXXC3H5_HNO& + N_C6H5_coeff * N_HNO& + NH_C6H5_coeff * NH_HNO& ) / C6H5_denom2 C6H5_CH2CHO = ( 0.0_pr & + CH2_C6H5_coeff * CH2_CH2CHO& + CH2DXCH2_C6H5_coeff * CH2DXCH2_CH2CHO& + CH_C6H5_coeff * CH_CH2CHO& + HCO_C6H5_coeff * HCO_CH2CHO& + AXXC3H5_C6H5_coeff * AXXC3H5_CH2CHO& + N_C6H5_coeff * N_CH2CHO& + NH_C6H5_coeff * NH_CH2CHO& ) / C6H5_denom2 C6H5_C2H5_coeff = ( 0.0_pr & + k(r192f) * c(sC2H6)& + CH2_C2H5_coeff * CH2_C6H5 & + CH2DXCH2_C2H5_coeff * CH2DXCH2_C6H5 & + CH_C2H5_coeff * CH_C6H5 & + HCO_C2H5_coeff * HCO_C6H5 & + AXXC3H5_C2H5_coeff * AXXC3H5_C6H5 & + N_C2H5_coeff * N_C6H5 & + NH_C2H5_coeff * NH_C6H5 & ) C6H5_CH3O_coeff = ( 0.0_pr & + CH2_CH3O_coeff * CH2_C6H5 & + CH2DXCH2_CH3O_coeff * CH2DXCH2_C6H5 & + CH_CH3O_coeff * CH_C6H5 & + HCO_CH3O_coeff * HCO_C6H5 & + AXXC3H5_CH3O_coeff * AXXC3H5_C6H5 & + N_CH3O_coeff * N_C6H5 & + NH_CH3O_coeff * NH_C6H5 & ) C6H5_HCCO_coeff = ( 0.0_pr & + CH2_HCCO_coeff * CH2_C6H5 & + CH2DXCH2_HCCO_coeff * CH2DXCH2_C6H5 & + CH_HCCO_coeff * CH_C6H5 & + HCO_HCCO_coeff * HCO_C6H5 & + AXXC3H5_HCCO_coeff * AXXC3H5_C6H5 & + N_HCCO_coeff * N_C6H5 & + NH_HCCO_coeff * NH_C6H5 & ) C6H5_CN_coeff = ( 0.0_pr & + CH2_CN_coeff * CH2_C6H5 & + CH2DXCH2_CN_coeff * CH2DXCH2_C6H5 & + CH_CN_coeff * CH_C6H5 & + HCO_CN_coeff * HCO_C6H5 & + AXXC3H5_CN_coeff * AXXC3H5_C6H5 & + N_CN_coeff * N_C6H5 & + NH_CN_coeff * NH_C6H5 & ) C6H5_NCO_coeff = ( 0.0_pr & + CH2_NCO_coeff * CH2_C6H5 & + CH2DXCH2_NCO_coeff * CH2DXCH2_C6H5 & + CH_NCO_coeff * CH_C6H5 & + HCO_NCO_coeff * HCO_C6H5 & + AXXC3H5_NCO_coeff * AXXC3H5_C6H5 & + N_NCO_coeff * N_C6H5 & + NH_NCO_coeff * NH_C6H5 & ) C6H5_C2H3_coeff = ( 0.0_pr & + CH2_C2H3_coeff * CH2_C6H5 & + CH2DXCH2_C2H3_coeff * CH2DXCH2_C6H5 & + CH_C2H3_coeff * CH_C6H5 & + HCO_C2H3_coeff * HCO_C6H5 & + AXXC3H5_C2H3_coeff * AXXC3H5_C6H5 & + N_C2H3_coeff * N_C6H5 & + NH_C2H3_coeff * NH_C6H5 & ) C6H5_HNO_coeff = ( 0.0_pr & + CH2_HNO_coeff * CH2_C6H5 & + CH2DXCH2_HNO_coeff * CH2DXCH2_C6H5 & + CH_HNO_coeff * CH_C6H5 & + HCO_HNO_coeff * HCO_C6H5 & + AXXC3H5_HNO_coeff * AXXC3H5_C6H5 & + N_HNO_coeff * N_C6H5 & + NH_HNO_coeff * NH_C6H5 & ) C6H5_CH2CHO_coeff = ( 0.0_pr & + CH2_CH2CHO_coeff * CH2_C6H5 & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_C6H5 & + CH_CH2CHO_coeff * CH_C6H5 & + HCO_CH2CHO_coeff * HCO_C6H5 & + AXXC3H5_CH2CHO_coeff * AXXC3H5_C6H5 & + N_CH2CHO_coeff * N_C6H5 & + NH_CH2CHO_coeff * NH_C6H5 & ) ! C2H5 --------------------------------------- C2H5_denom2 = tiny(1.0_pr) + ( C2H5_denom1 & - CH2_C2H5_coeff * CH2_C2H5 & - CH2DXCH2_C2H5_coeff * CH2DXCH2_C2H5 & - CH_C2H5_coeff * CH_C2H5 & - HCO_C2H5_coeff * HCO_C2H5 & - AXXC3H5_C2H5_coeff * AXXC3H5_C2H5 & - N_C2H5_coeff * N_C2H5 & - NH_C2H5_coeff * NH_C2H5 & - C6H5_C2H5_coeff * C6H5_C2H5 & ) C2H5_ct2 = ( C2H5_ct1 & + CH2_C2H5_coeff * CH2_ct2 & + CH2DXCH2_C2H5_coeff * CH2DXCH2_ct2 & + CH_C2H5_coeff * CH_ct2 & + HCO_C2H5_coeff * HCO_ct2 & + AXXC3H5_C2H5_coeff * AXXC3H5_ct2 & + N_C2H5_coeff * N_ct2 & + NH_C2H5_coeff * NH_ct2 & + C6H5_C2H5_coeff * C6H5_ct2 & ) / C2H5_denom2 C2H5_CH3O = ( 0.0_pr & + CH2_C2H5_coeff * CH2_CH3O& + CH2DXCH2_C2H5_coeff * CH2DXCH2_CH3O& + CH_C2H5_coeff * CH_CH3O& + HCO_C2H5_coeff * HCO_CH3O& + AXXC3H5_C2H5_coeff * AXXC3H5_CH3O& + N_C2H5_coeff * N_CH3O& + NH_C2H5_coeff * NH_CH3O& + C6H5_C2H5_coeff * C6H5_CH3O& ) / C2H5_denom2 C2H5_HCCO = ( 0.0_pr & + CH2_C2H5_coeff * CH2_HCCO& + CH2DXCH2_C2H5_coeff * CH2DXCH2_HCCO& + CH_C2H5_coeff * CH_HCCO& + HCO_C2H5_coeff * HCO_HCCO& + AXXC3H5_C2H5_coeff * AXXC3H5_HCCO& + N_C2H5_coeff * N_HCCO& + NH_C2H5_coeff * NH_HCCO& + C6H5_C2H5_coeff * C6H5_HCCO& ) / C2H5_denom2 C2H5_CN = ( 0.0_pr & + k(r291) * c(sC2H6)& + CH2_C2H5_coeff * CH2_CN& + CH2DXCH2_C2H5_coeff * CH2DXCH2_CN& + CH_C2H5_coeff * CH_CN& + HCO_C2H5_coeff * HCO_CN& + AXXC3H5_C2H5_coeff * AXXC3H5_CN& + N_C2H5_coeff * N_CN& + NH_C2H5_coeff * NH_CN& + C6H5_C2H5_coeff * C6H5_CN& ) / C2H5_denom2 C2H5_NCO = ( 0.0_pr & + CH2_C2H5_coeff * CH2_NCO& + CH2DXCH2_C2H5_coeff * CH2DXCH2_NCO& + CH_C2H5_coeff * CH_NCO& + HCO_C2H5_coeff * HCO_NCO& + AXXC3H5_C2H5_coeff * AXXC3H5_NCO& + N_C2H5_coeff * N_NCO& + NH_C2H5_coeff * NH_NCO& + C6H5_C2H5_coeff * C6H5_NCO& ) / C2H5_denom2 C2H5_C2H3 = ( 0.0_pr & + CH2_C2H5_coeff * CH2_C2H3& + CH2DXCH2_C2H5_coeff * CH2DXCH2_C2H3& + CH_C2H5_coeff * CH_C2H3& + HCO_C2H5_coeff * HCO_C2H3& + AXXC3H5_C2H5_coeff * AXXC3H5_C2H3& + N_C2H5_coeff * N_C2H3& + NH_C2H5_coeff * NH_C2H3& + C6H5_C2H5_coeff * C6H5_C2H3& ) / C2H5_denom2 C2H5_HNO = ( 0.0_pr & + CH2_C2H5_coeff * CH2_HNO& + CH2DXCH2_C2H5_coeff * CH2DXCH2_HNO& + CH_C2H5_coeff * CH_HNO& + HCO_C2H5_coeff * HCO_HNO& + AXXC3H5_C2H5_coeff * AXXC3H5_HNO& + N_C2H5_coeff * N_HNO& + NH_C2H5_coeff * NH_HNO& + C6H5_C2H5_coeff * C6H5_HNO& ) / C2H5_denom2 C2H5_CH2CHO = ( 0.0_pr & + CH2_C2H5_coeff * CH2_CH2CHO& + CH2DXCH2_C2H5_coeff * CH2DXCH2_CH2CHO& + CH_C2H5_coeff * CH_CH2CHO& + HCO_C2H5_coeff * HCO_CH2CHO& + AXXC3H5_C2H5_coeff * AXXC3H5_CH2CHO& + N_C2H5_coeff * N_CH2CHO& + NH_C2H5_coeff * NH_CH2CHO& + C6H5_C2H5_coeff * C6H5_CH2CHO& ) / C2H5_denom2 C2H5_CH3O_coeff = ( 0.0_pr & + CH2_CH3O_coeff * CH2_C2H5 & + CH2DXCH2_CH3O_coeff * CH2DXCH2_C2H5 & + CH_CH3O_coeff * CH_C2H5 & + HCO_CH3O_coeff * HCO_C2H5 & + AXXC3H5_CH3O_coeff * AXXC3H5_C2H5 & + N_CH3O_coeff * N_C2H5 & + NH_CH3O_coeff * NH_C2H5 & + C6H5_CH3O_coeff * C6H5_C2H5 & ) C2H5_HCCO_coeff = ( 0.0_pr & + CH2_HCCO_coeff * CH2_C2H5 & + CH2DXCH2_HCCO_coeff * CH2DXCH2_C2H5 & + CH_HCCO_coeff * CH_C2H5 & + HCO_HCCO_coeff * HCO_C2H5 & + AXXC3H5_HCCO_coeff * AXXC3H5_C2H5 & + N_HCCO_coeff * N_C2H5 & + NH_HCCO_coeff * NH_C2H5 & + C6H5_HCCO_coeff * C6H5_C2H5 & ) C2H5_CN_coeff = ( 0.0_pr & + k(r308) * c(sHCN)& + CH2_CN_coeff * CH2_C2H5 & + CH2DXCH2_CN_coeff * CH2DXCH2_C2H5 & + CH_CN_coeff * CH_C2H5 & + HCO_CN_coeff * HCO_C2H5 & + AXXC3H5_CN_coeff * AXXC3H5_C2H5 & + N_CN_coeff * N_C2H5 & + NH_CN_coeff * NH_C2H5 & + C6H5_CN_coeff * C6H5_C2H5 & ) C2H5_NCO_coeff = ( 0.0_pr & + CH2_NCO_coeff * CH2_C2H5 & + CH2DXCH2_NCO_coeff * CH2DXCH2_C2H5 & + CH_NCO_coeff * CH_C2H5 & + HCO_NCO_coeff * HCO_C2H5 & + AXXC3H5_NCO_coeff * AXXC3H5_C2H5 & + N_NCO_coeff * N_C2H5 & + NH_NCO_coeff * NH_C2H5 & + C6H5_NCO_coeff * C6H5_C2H5 & ) C2H5_C2H3_coeff = ( 0.0_pr & + CH2_C2H3_coeff * CH2_C2H5 & + CH2DXCH2_C2H3_coeff * CH2DXCH2_C2H5 & + CH_C2H3_coeff * CH_C2H5 & + HCO_C2H3_coeff * HCO_C2H5 & + AXXC3H5_C2H3_coeff * AXXC3H5_C2H5 & + N_C2H3_coeff * N_C2H5 & + NH_C2H3_coeff * NH_C2H5 & + C6H5_C2H3_coeff * C6H5_C2H5 & ) C2H5_HNO_coeff = ( 0.0_pr & + CH2_HNO_coeff * CH2_C2H5 & + CH2DXCH2_HNO_coeff * CH2DXCH2_C2H5 & + CH_HNO_coeff * CH_C2H5 & + HCO_HNO_coeff * HCO_C2H5 & + AXXC3H5_HNO_coeff * AXXC3H5_C2H5 & + N_HNO_coeff * N_C2H5 & + NH_HNO_coeff * NH_C2H5 & + C6H5_HNO_coeff * C6H5_C2H5 & ) C2H5_CH2CHO_coeff = ( 0.0_pr & + CH2_CH2CHO_coeff * CH2_C2H5 & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_C2H5 & + CH_CH2CHO_coeff * CH_C2H5 & + HCO_CH2CHO_coeff * HCO_C2H5 & + AXXC3H5_CH2CHO_coeff * AXXC3H5_C2H5 & + N_CH2CHO_coeff * N_C2H5 & + NH_CH2CHO_coeff * NH_C2H5 & + C6H5_CH2CHO_coeff * C6H5_C2H5 & ) ! CH3O --------------------------------------- CH3O_denom2 = tiny(1.0_pr) + ( CH3O_denom1 & - CH2_CH3O_coeff * CH2_CH3O & - CH2DXCH2_CH3O_coeff * CH2DXCH2_CH3O & - CH_CH3O_coeff * CH_CH3O & - HCO_CH3O_coeff * HCO_CH3O & - AXXC3H5_CH3O_coeff * AXXC3H5_CH3O & - N_CH3O_coeff * N_CH3O & - NH_CH3O_coeff * NH_CH3O & - C6H5_CH3O_coeff * C6H5_CH3O & - C2H5_CH3O_coeff * C2H5_CH3O & ) CH3O_ct2 = ( CH3O_ct1 & + CH2_CH3O_coeff * CH2_ct2 & + CH2DXCH2_CH3O_coeff * CH2DXCH2_ct2 & + CH_CH3O_coeff * CH_ct2 & + HCO_CH3O_coeff * HCO_ct2 & + AXXC3H5_CH3O_coeff * AXXC3H5_ct2 & + N_CH3O_coeff * N_ct2 & + NH_CH3O_coeff * NH_ct2 & + C6H5_CH3O_coeff * C6H5_ct2 & + C2H5_CH3O_coeff * C2H5_ct2 & ) / CH3O_denom2 CH3O_HCCO = ( 0.0_pr & + CH2_CH3O_coeff * CH2_HCCO& + CH2DXCH2_CH3O_coeff * CH2DXCH2_HCCO& + CH_CH3O_coeff * CH_HCCO& + HCO_CH3O_coeff * HCO_HCCO& + AXXC3H5_CH3O_coeff * AXXC3H5_HCCO& + N_CH3O_coeff * N_HCCO& + NH_CH3O_coeff * NH_HCCO& + C6H5_CH3O_coeff * C6H5_HCCO& + C2H5_CH3O_coeff * C2H5_HCCO& ) / CH3O_denom2 CH3O_CN = ( 0.0_pr & + CH2_CH3O_coeff * CH2_CN& + CH2DXCH2_CH3O_coeff * CH2DXCH2_CN& + CH_CH3O_coeff * CH_CN& + HCO_CH3O_coeff * HCO_CN& + AXXC3H5_CH3O_coeff * AXXC3H5_CN& + N_CH3O_coeff * N_CN& + NH_CH3O_coeff * NH_CN& + C6H5_CH3O_coeff * C6H5_CN& + C2H5_CH3O_coeff * C2H5_CN& ) / CH3O_denom2 CH3O_NCO = ( 0.0_pr & + CH2_CH3O_coeff * CH2_NCO& + CH2DXCH2_CH3O_coeff * CH2DXCH2_NCO& + CH_CH3O_coeff * CH_NCO& + HCO_CH3O_coeff * HCO_NCO& + AXXC3H5_CH3O_coeff * AXXC3H5_NCO& + N_CH3O_coeff * N_NCO& + NH_CH3O_coeff * NH_NCO& + C6H5_CH3O_coeff * C6H5_NCO& + C2H5_CH3O_coeff * C2H5_NCO& ) / CH3O_denom2 CH3O_C2H3 = ( 0.0_pr & + CH2_CH3O_coeff * CH2_C2H3& + CH2DXCH2_CH3O_coeff * CH2DXCH2_C2H3& + CH_CH3O_coeff * CH_C2H3& + HCO_CH3O_coeff * HCO_C2H3& + AXXC3H5_CH3O_coeff * AXXC3H5_C2H3& + N_CH3O_coeff * N_C2H3& + NH_CH3O_coeff * NH_C2H3& + C6H5_CH3O_coeff * C6H5_C2H3& + C2H5_CH3O_coeff * C2H5_C2H3& ) / CH3O_denom2 CH3O_HNO = ( 0.0_pr & + CH2_CH3O_coeff * CH2_HNO& + CH2DXCH2_CH3O_coeff * CH2DXCH2_HNO& + CH_CH3O_coeff * CH_HNO& + HCO_CH3O_coeff * HCO_HNO& + AXXC3H5_CH3O_coeff * AXXC3H5_HNO& + N_CH3O_coeff * N_HNO& + NH_CH3O_coeff * NH_HNO& + C6H5_CH3O_coeff * C6H5_HNO& + C2H5_CH3O_coeff * C2H5_HNO& ) / CH3O_denom2 CH3O_CH2CHO = ( 0.0_pr & + CH2_CH3O_coeff * CH2_CH2CHO& + CH2DXCH2_CH3O_coeff * CH2DXCH2_CH2CHO& + CH_CH3O_coeff * CH_CH2CHO& + HCO_CH3O_coeff * HCO_CH2CHO& + AXXC3H5_CH3O_coeff * AXXC3H5_CH2CHO& + N_CH3O_coeff * N_CH2CHO& + NH_CH3O_coeff * NH_CH2CHO& + C6H5_CH3O_coeff * C6H5_CH2CHO& + C2H5_CH3O_coeff * C2H5_CH2CHO& ) / CH3O_denom2 CH3O_HCCO_coeff = ( 0.0_pr & + CH2_HCCO_coeff * CH2_CH3O & + CH2DXCH2_HCCO_coeff * CH2DXCH2_CH3O & + CH_HCCO_coeff * CH_CH3O & + HCO_HCCO_coeff * HCO_CH3O & + AXXC3H5_HCCO_coeff * AXXC3H5_CH3O & + N_HCCO_coeff * N_CH3O & + NH_HCCO_coeff * NH_CH3O & + C6H5_HCCO_coeff * C6H5_CH3O & + C2H5_HCCO_coeff * C2H5_CH3O & ) CH3O_CN_coeff = ( 0.0_pr & + CH2_CN_coeff * CH2_CH3O & + CH2DXCH2_CN_coeff * CH2DXCH2_CH3O & + CH_CN_coeff * CH_CH3O & + HCO_CN_coeff * HCO_CH3O & + AXXC3H5_CN_coeff * AXXC3H5_CH3O & + N_CN_coeff * N_CH3O & + NH_CN_coeff * NH_CH3O & + C6H5_CN_coeff * C6H5_CH3O & + C2H5_CN_coeff * C2H5_CH3O & ) CH3O_NCO_coeff = ( 0.0_pr & + CH2_NCO_coeff * CH2_CH3O & + CH2DXCH2_NCO_coeff * CH2DXCH2_CH3O & + CH_NCO_coeff * CH_CH3O & + HCO_NCO_coeff * HCO_CH3O & + AXXC3H5_NCO_coeff * AXXC3H5_CH3O & + N_NCO_coeff * N_CH3O & + NH_NCO_coeff * NH_CH3O & + C6H5_NCO_coeff * C6H5_CH3O & + C2H5_NCO_coeff * C2H5_CH3O & ) CH3O_C2H3_coeff = ( 0.0_pr & + CH2_C2H3_coeff * CH2_CH3O & + CH2DXCH2_C2H3_coeff * CH2DXCH2_CH3O & + CH_C2H3_coeff * CH_CH3O & + HCO_C2H3_coeff * HCO_CH3O & + AXXC3H5_C2H3_coeff * AXXC3H5_CH3O & + N_C2H3_coeff * N_CH3O & + NH_C2H3_coeff * NH_CH3O & + C6H5_C2H3_coeff * C6H5_CH3O & + C2H5_C2H3_coeff * C2H5_CH3O & ) CH3O_HNO_coeff = ( 0.0_pr & + CH2_HNO_coeff * CH2_CH3O & + CH2DXCH2_HNO_coeff * CH2DXCH2_CH3O & + CH_HNO_coeff * CH_CH3O & + HCO_HNO_coeff * HCO_CH3O & + AXXC3H5_HNO_coeff * AXXC3H5_CH3O & + N_HNO_coeff * N_CH3O & + NH_HNO_coeff * NH_CH3O & + C6H5_HNO_coeff * C6H5_CH3O & + C2H5_HNO_coeff * C2H5_CH3O & ) CH3O_CH2CHO_coeff = ( 0.0_pr & + CH2_CH2CHO_coeff * CH2_CH3O & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_CH3O & + CH_CH2CHO_coeff * CH_CH3O & + HCO_CH2CHO_coeff * HCO_CH3O & + AXXC3H5_CH2CHO_coeff * AXXC3H5_CH3O & + N_CH2CHO_coeff * N_CH3O & + NH_CH2CHO_coeff * NH_CH3O & + C6H5_CH2CHO_coeff * C6H5_CH3O & + C2H5_CH2CHO_coeff * C2H5_CH3O & ) ! HCCO --------------------------------------- HCCO_denom2 = tiny(1.0_pr) + ( HCCO_denom1 & - CH2_HCCO_coeff * CH2_HCCO & - CH2DXCH2_HCCO_coeff * CH2DXCH2_HCCO & - CH_HCCO_coeff * CH_HCCO & - HCO_HCCO_coeff * HCO_HCCO & - AXXC3H5_HCCO_coeff * AXXC3H5_HCCO & - N_HCCO_coeff * N_HCCO & - NH_HCCO_coeff * NH_HCCO & - C6H5_HCCO_coeff * C6H5_HCCO & - C2H5_HCCO_coeff * C2H5_HCCO & - CH3O_HCCO_coeff * CH3O_HCCO & ) HCCO_ct2 = ( HCCO_ct1 & + CH2_HCCO_coeff * CH2_ct2 & + CH2DXCH2_HCCO_coeff * CH2DXCH2_ct2 & + CH_HCCO_coeff * CH_ct2 & + HCO_HCCO_coeff * HCO_ct2 & + AXXC3H5_HCCO_coeff * AXXC3H5_ct2 & + N_HCCO_coeff * N_ct2 & + NH_HCCO_coeff * NH_ct2 & + C6H5_HCCO_coeff * C6H5_ct2 & + C2H5_HCCO_coeff * C2H5_ct2 & + CH3O_HCCO_coeff * CH3O_ct2 & ) / HCCO_denom2 HCCO_CN = ( 0.0_pr & + k(r297) * c(sCH2CO)& + CH2_HCCO_coeff * CH2_CN& + CH2DXCH2_HCCO_coeff * CH2DXCH2_CN& + CH_HCCO_coeff * CH_CN& + HCO_HCCO_coeff * HCO_CN& + AXXC3H5_HCCO_coeff * AXXC3H5_CN& + N_HCCO_coeff * N_CN& + NH_HCCO_coeff * NH_CN& + C6H5_HCCO_coeff * C6H5_CN& + C2H5_HCCO_coeff * C2H5_CN& + CH3O_HCCO_coeff * CH3O_CN& ) / HCCO_denom2 HCCO_NCO = ( 0.0_pr & + k(r325) * c(sC2H2)& + CH2_HCCO_coeff * CH2_NCO& + CH2DXCH2_HCCO_coeff * CH2DXCH2_NCO& + CH_HCCO_coeff * CH_NCO& + HCO_HCCO_coeff * HCO_NCO& + AXXC3H5_HCCO_coeff * AXXC3H5_NCO& + N_HCCO_coeff * N_NCO& + NH_HCCO_coeff * NH_NCO& + C6H5_HCCO_coeff * C6H5_NCO& + C2H5_HCCO_coeff * C2H5_NCO& + CH3O_HCCO_coeff * CH3O_NCO& ) / HCCO_denom2 HCCO_C2H3 = ( 0.0_pr & + CH2_HCCO_coeff * CH2_C2H3& + CH2DXCH2_HCCO_coeff * CH2DXCH2_C2H3& + CH_HCCO_coeff * CH_C2H3& + HCO_HCCO_coeff * HCO_C2H3& + AXXC3H5_HCCO_coeff * AXXC3H5_C2H3& + N_HCCO_coeff * N_C2H3& + NH_HCCO_coeff * NH_C2H3& + C6H5_HCCO_coeff * C6H5_C2H3& + C2H5_HCCO_coeff * C2H5_C2H3& + CH3O_HCCO_coeff * CH3O_C2H3& ) / HCCO_denom2 HCCO_HNO = ( 0.0_pr & + CH2_HCCO_coeff * CH2_HNO& + CH2DXCH2_HCCO_coeff * CH2DXCH2_HNO& + CH_HCCO_coeff * CH_HNO& + HCO_HCCO_coeff * HCO_HNO& + AXXC3H5_HCCO_coeff * AXXC3H5_HNO& + N_HCCO_coeff * N_HNO& + NH_HCCO_coeff * NH_HNO& + C6H5_HCCO_coeff * C6H5_HNO& + C2H5_HCCO_coeff * C2H5_HNO& + CH3O_HCCO_coeff * CH3O_HNO& ) / HCCO_denom2 HCCO_CH2CHO = ( 0.0_pr & + CH2_HCCO_coeff * CH2_CH2CHO& + CH2DXCH2_HCCO_coeff * CH2DXCH2_CH2CHO& + CH_HCCO_coeff * CH_CH2CHO& + HCO_HCCO_coeff * HCO_CH2CHO& + AXXC3H5_HCCO_coeff * AXXC3H5_CH2CHO& + N_HCCO_coeff * N_CH2CHO& + NH_HCCO_coeff * NH_CH2CHO& + C6H5_HCCO_coeff * C6H5_CH2CHO& + C2H5_HCCO_coeff * C2H5_CH2CHO& + CH3O_HCCO_coeff * CH3O_CH2CHO& ) / HCCO_denom2 HCCO_CN_coeff = ( 0.0_pr & + k(r313) * c(sHCN)& + CH2_CN_coeff * CH2_HCCO & + CH2DXCH2_CN_coeff * CH2DXCH2_HCCO & + CH_CN_coeff * CH_HCCO & + HCO_CN_coeff * HCO_HCCO & + AXXC3H5_CN_coeff * AXXC3H5_HCCO & + N_CN_coeff * N_HCCO & + NH_CN_coeff * NH_HCCO & + C6H5_CN_coeff * C6H5_HCCO & + C2H5_CN_coeff * C2H5_HCCO & + CH3O_CN_coeff * CH3O_HCCO & ) HCCO_NCO_coeff = ( 0.0_pr & + k(r311) * c(sHCN)& + CH2_NCO_coeff * CH2_HCCO & + CH2DXCH2_NCO_coeff * CH2DXCH2_HCCO & + CH_NCO_coeff * CH_HCCO & + HCO_NCO_coeff * HCO_HCCO & + AXXC3H5_NCO_coeff * AXXC3H5_HCCO & + N_NCO_coeff * N_HCCO & + NH_NCO_coeff * NH_HCCO & + C6H5_NCO_coeff * C6H5_HCCO & + C2H5_NCO_coeff * C2H5_HCCO & + CH3O_NCO_coeff * CH3O_HCCO & ) HCCO_C2H3_coeff = ( 0.0_pr & + CH2_C2H3_coeff * CH2_HCCO & + CH2DXCH2_C2H3_coeff * CH2DXCH2_HCCO & + CH_C2H3_coeff * CH_HCCO & + HCO_C2H3_coeff * HCO_HCCO & + AXXC3H5_C2H3_coeff * AXXC3H5_HCCO & + N_C2H3_coeff * N_HCCO & + NH_C2H3_coeff * NH_HCCO & + C6H5_C2H3_coeff * C6H5_HCCO & + C2H5_C2H3_coeff * C2H5_HCCO & + CH3O_C2H3_coeff * CH3O_HCCO & ) HCCO_HNO_coeff = ( 0.0_pr & + CH2_HNO_coeff * CH2_HCCO & + CH2DXCH2_HNO_coeff * CH2DXCH2_HCCO & + CH_HNO_coeff * CH_HCCO & + HCO_HNO_coeff * HCO_HCCO & + AXXC3H5_HNO_coeff * AXXC3H5_HCCO & + N_HNO_coeff * N_HCCO & + NH_HNO_coeff * NH_HCCO & + C6H5_HNO_coeff * C6H5_HCCO & + C2H5_HNO_coeff * C2H5_HCCO & + CH3O_HNO_coeff * CH3O_HCCO & ) HCCO_CH2CHO_coeff = ( 0.0_pr & + CH2_CH2CHO_coeff * CH2_HCCO & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_HCCO & + CH_CH2CHO_coeff * CH_HCCO & + HCO_CH2CHO_coeff * HCO_HCCO & + AXXC3H5_CH2CHO_coeff * AXXC3H5_HCCO & + N_CH2CHO_coeff * N_HCCO & + NH_CH2CHO_coeff * NH_HCCO & + C6H5_CH2CHO_coeff * C6H5_HCCO & + C2H5_CH2CHO_coeff * C2H5_HCCO & + CH3O_CH2CHO_coeff * CH3O_HCCO & ) ! CN --------------------------------------- CN_denom2 = tiny(1.0_pr) + ( CN_denom1 & - CH2_CN_coeff * CH2_CN & - CH2DXCH2_CN_coeff * CH2DXCH2_CN & - CH_CN_coeff * CH_CN & - HCO_CN_coeff * HCO_CN & - AXXC3H5_CN_coeff * AXXC3H5_CN & - N_CN_coeff * N_CN & - NH_CN_coeff * NH_CN & - C6H5_CN_coeff * C6H5_CN & - C2H5_CN_coeff * C2H5_CN & - CH3O_CN_coeff * CH3O_CN & - HCCO_CN_coeff * HCCO_CN & ) CN_ct2 = ( CN_ct1 & + CH2_CN_coeff * CH2_ct2 & + CH2DXCH2_CN_coeff * CH2DXCH2_ct2 & + CH_CN_coeff * CH_ct2 & + HCO_CN_coeff * HCO_ct2 & + AXXC3H5_CN_coeff * AXXC3H5_ct2 & + N_CN_coeff * N_ct2 & + NH_CN_coeff * NH_ct2 & + C6H5_CN_coeff * C6H5_ct2 & + C2H5_CN_coeff * C2H5_ct2 & + CH3O_CN_coeff * CH3O_ct2 & + HCCO_CN_coeff * HCCO_ct2 & ) / CN_denom2 CN_NCO = ( 0.0_pr & + k(r318) * c(sH)+ & k(r322) * c(sO)+ & k(r323) * c(sCO)& + CH2_CN_coeff * CH2_NCO& + CH2DXCH2_CN_coeff * CH2DXCH2_NCO& + CH_CN_coeff * CH_NCO& + HCO_CN_coeff * HCO_NCO& + AXXC3H5_CN_coeff * AXXC3H5_NCO& + N_CN_coeff * N_NCO& + NH_CN_coeff * NH_NCO& + C6H5_CN_coeff * C6H5_NCO& + C2H5_CN_coeff * C2H5_NCO& + CH3O_CN_coeff * CH3O_NCO& + HCCO_CN_coeff * HCCO_NCO& ) / CN_denom2 CN_C2H3 = ( 0.0_pr & + k(r304) * c(sHCN)& + CH2_CN_coeff * CH2_C2H3& + CH2DXCH2_CN_coeff * CH2DXCH2_C2H3& + CH_CN_coeff * CH_C2H3& + HCO_CN_coeff * HCO_C2H3& + AXXC3H5_CN_coeff * AXXC3H5_C2H3& + N_CN_coeff * N_C2H3& + NH_CN_coeff * NH_C2H3& + C6H5_CN_coeff * C6H5_C2H3& + C2H5_CN_coeff * C2H5_C2H3& + CH3O_CN_coeff * CH3O_C2H3& + HCCO_CN_coeff * HCCO_C2H3& ) / CN_denom2 CN_HNO = ( 0.0_pr & + CH2_CN_coeff * CH2_HNO& + CH2DXCH2_CN_coeff * CH2DXCH2_HNO& + CH_CN_coeff * CH_HNO& + HCO_CN_coeff * HCO_HNO& + AXXC3H5_CN_coeff * AXXC3H5_HNO& + N_CN_coeff * N_HNO& + NH_CN_coeff * NH_HNO& + C6H5_CN_coeff * C6H5_HNO& + C2H5_CN_coeff * C2H5_HNO& + CH3O_CN_coeff * CH3O_HNO& + HCCO_CN_coeff * HCCO_HNO& ) / CN_denom2 CN_CH2CHO = ( 0.0_pr & + CH2_CN_coeff * CH2_CH2CHO& + CH2DXCH2_CN_coeff * CH2DXCH2_CH2CHO& + CH_CN_coeff * CH_CH2CHO& + HCO_CN_coeff * HCO_CH2CHO& + AXXC3H5_CN_coeff * AXXC3H5_CH2CHO& + N_CN_coeff * N_CH2CHO& + NH_CN_coeff * NH_CH2CHO& + C6H5_CN_coeff * C6H5_CH2CHO& + C2H5_CN_coeff * C2H5_CH2CHO& + CH3O_CN_coeff * CH3O_CH2CHO& + HCCO_CN_coeff * HCCO_CH2CHO& ) / CN_denom2 CN_NCO_coeff = ( 0.0_pr & + k(r288) * c(sOH)+ & k(r290) * c(sO2)+ & k(r294) * c(sCO2)& + CH2_NCO_coeff * CH2_CN & + CH2DXCH2_NCO_coeff * CH2DXCH2_CN & + CH_NCO_coeff * CH_CN & + HCO_NCO_coeff * HCO_CN & + AXXC3H5_NCO_coeff * AXXC3H5_CN & + N_NCO_coeff * N_CN & + NH_NCO_coeff * NH_CN & + C6H5_NCO_coeff * C6H5_CN & + C2H5_NCO_coeff * C2H5_CN & + CH3O_NCO_coeff * CH3O_CN & + HCCO_NCO_coeff * HCCO_CN & ) CN_C2H3_coeff = ( 0.0_pr & + k(r289) * c(sC2H4)& + CH2_C2H3_coeff * CH2_CN & + CH2DXCH2_C2H3_coeff * CH2DXCH2_CN & + CH_C2H3_coeff * CH_CN & + HCO_C2H3_coeff * HCO_CN & + AXXC3H5_C2H3_coeff * AXXC3H5_CN & + N_C2H3_coeff * N_CN & + NH_C2H3_coeff * NH_CN & + C6H5_C2H3_coeff * C6H5_CN & + C2H5_C2H3_coeff * C2H5_CN & + CH3O_C2H3_coeff * CH3O_CN & + HCCO_C2H3_coeff * HCCO_CN & ) CN_HNO_coeff = ( 0.0_pr & + CH2_HNO_coeff * CH2_CN & + CH2DXCH2_HNO_coeff * CH2DXCH2_CN & + CH_HNO_coeff * CH_CN & + HCO_HNO_coeff * HCO_CN & + AXXC3H5_HNO_coeff * AXXC3H5_CN & + N_HNO_coeff * N_CN & + NH_HNO_coeff * NH_CN & + C6H5_HNO_coeff * C6H5_CN & + C2H5_HNO_coeff * C2H5_CN & + CH3O_HNO_coeff * CH3O_CN & + HCCO_HNO_coeff * HCCO_CN & ) CN_CH2CHO_coeff = ( 0.0_pr & + CH2_CH2CHO_coeff * CH2_CN & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_CN & + CH_CH2CHO_coeff * CH_CN & + HCO_CH2CHO_coeff * HCO_CN & + AXXC3H5_CH2CHO_coeff * AXXC3H5_CN & + N_CH2CHO_coeff * N_CN & + NH_CH2CHO_coeff * NH_CN & + C6H5_CH2CHO_coeff * C6H5_CN & + C2H5_CH2CHO_coeff * C2H5_CN & + CH3O_CH2CHO_coeff * CH3O_CN & + HCCO_CH2CHO_coeff * HCCO_CN & ) ! NCO --------------------------------------- NCO_denom2 = tiny(1.0_pr) + ( NCO_denom1 & - CH2_NCO_coeff * CH2_NCO & - CH2DXCH2_NCO_coeff * CH2DXCH2_NCO & - CH_NCO_coeff * CH_NCO & - HCO_NCO_coeff * HCO_NCO & - AXXC3H5_NCO_coeff * AXXC3H5_NCO & - N_NCO_coeff * N_NCO & - NH_NCO_coeff * NH_NCO & - C6H5_NCO_coeff * C6H5_NCO & - C2H5_NCO_coeff * C2H5_NCO & - CH3O_NCO_coeff * CH3O_NCO & - HCCO_NCO_coeff * HCCO_NCO & - CN_NCO_coeff * CN_NCO & ) NCO_ct2 = ( NCO_ct1 & + CH2_NCO_coeff * CH2_ct2 & + CH2DXCH2_NCO_coeff * CH2DXCH2_ct2 & + CH_NCO_coeff * CH_ct2 & + HCO_NCO_coeff * HCO_ct2 & + AXXC3H5_NCO_coeff * AXXC3H5_ct2 & + N_NCO_coeff * N_ct2 & + NH_NCO_coeff * NH_ct2 & + C6H5_NCO_coeff * C6H5_ct2 & + C2H5_NCO_coeff * C2H5_ct2 & + CH3O_NCO_coeff * CH3O_ct2 & + HCCO_NCO_coeff * HCCO_ct2 & + CN_NCO_coeff * CN_ct2 & ) / NCO_denom2 NCO_C2H3 = ( 0.0_pr & + CH2_NCO_coeff * CH2_C2H3& + CH2DXCH2_NCO_coeff * CH2DXCH2_C2H3& + CH_NCO_coeff * CH_C2H3& + HCO_NCO_coeff * HCO_C2H3& + AXXC3H5_NCO_coeff * AXXC3H5_C2H3& + N_NCO_coeff * N_C2H3& + NH_NCO_coeff * NH_C2H3& + C6H5_NCO_coeff * C6H5_C2H3& + C2H5_NCO_coeff * C2H5_C2H3& + CH3O_NCO_coeff * CH3O_C2H3& + HCCO_NCO_coeff * HCCO_C2H3& + CN_NCO_coeff * CN_C2H3& ) / NCO_denom2 NCO_HNO = ( 0.0_pr & + CH2_NCO_coeff * CH2_HNO& + CH2DXCH2_NCO_coeff * CH2DXCH2_HNO& + CH_NCO_coeff * CH_HNO& + HCO_NCO_coeff * HCO_HNO& + AXXC3H5_NCO_coeff * AXXC3H5_HNO& + N_NCO_coeff * N_HNO& + NH_NCO_coeff * NH_HNO& + C6H5_NCO_coeff * C6H5_HNO& + C2H5_NCO_coeff * C2H5_HNO& + CH3O_NCO_coeff * CH3O_HNO& + HCCO_NCO_coeff * HCCO_HNO& + CN_NCO_coeff * CN_HNO& ) / NCO_denom2 NCO_CH2CHO = ( 0.0_pr & + CH2_NCO_coeff * CH2_CH2CHO& + CH2DXCH2_NCO_coeff * CH2DXCH2_CH2CHO& + CH_NCO_coeff * CH_CH2CHO& + HCO_NCO_coeff * HCO_CH2CHO& + AXXC3H5_NCO_coeff * AXXC3H5_CH2CHO& + N_NCO_coeff * N_CH2CHO& + NH_NCO_coeff * NH_CH2CHO& + C6H5_NCO_coeff * C6H5_CH2CHO& + C2H5_NCO_coeff * C2H5_CH2CHO& + CH3O_NCO_coeff * CH3O_CH2CHO& + HCCO_NCO_coeff * HCCO_CH2CHO& + CN_NCO_coeff * CN_CH2CHO& ) / NCO_denom2 NCO_C2H3_coeff = ( 0.0_pr & + CH2_C2H3_coeff * CH2_NCO & + CH2DXCH2_C2H3_coeff * CH2DXCH2_NCO & + CH_C2H3_coeff * CH_NCO & + HCO_C2H3_coeff * HCO_NCO & + AXXC3H5_C2H3_coeff * AXXC3H5_NCO & + N_C2H3_coeff * N_NCO & + NH_C2H3_coeff * NH_NCO & + C6H5_C2H3_coeff * C6H5_NCO & + C2H5_C2H3_coeff * C2H5_NCO & + CH3O_C2H3_coeff * CH3O_NCO & + HCCO_C2H3_coeff * HCCO_NCO & + CN_C2H3_coeff * CN_NCO & ) NCO_HNO_coeff = ( 0.0_pr & + CH2_HNO_coeff * CH2_NCO & + CH2DXCH2_HNO_coeff * CH2DXCH2_NCO & + CH_HNO_coeff * CH_NCO & + HCO_HNO_coeff * HCO_NCO & + AXXC3H5_HNO_coeff * AXXC3H5_NCO & + N_HNO_coeff * N_NCO & + NH_HNO_coeff * NH_NCO & + C6H5_HNO_coeff * C6H5_NCO & + C2H5_HNO_coeff * C2H5_NCO & + CH3O_HNO_coeff * CH3O_NCO & + HCCO_HNO_coeff * HCCO_NCO & + CN_HNO_coeff * CN_NCO & ) NCO_CH2CHO_coeff = ( 0.0_pr & + CH2_CH2CHO_coeff * CH2_NCO & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_NCO & + CH_CH2CHO_coeff * CH_NCO & + HCO_CH2CHO_coeff * HCO_NCO & + AXXC3H5_CH2CHO_coeff * AXXC3H5_NCO & + N_CH2CHO_coeff * N_NCO & + NH_CH2CHO_coeff * NH_NCO & + C6H5_CH2CHO_coeff * C6H5_NCO & + C2H5_CH2CHO_coeff * C2H5_NCO & + CH3O_CH2CHO_coeff * CH3O_NCO & + HCCO_CH2CHO_coeff * HCCO_NCO & + CN_CH2CHO_coeff * CN_NCO & ) ! C2H3 --------------------------------------- C2H3_denom2 = tiny(1.0_pr) + ( C2H3_denom1 & - CH2_C2H3_coeff * CH2_C2H3 & - CH2DXCH2_C2H3_coeff * CH2DXCH2_C2H3 & - CH_C2H3_coeff * CH_C2H3 & - HCO_C2H3_coeff * HCO_C2H3 & - AXXC3H5_C2H3_coeff * AXXC3H5_C2H3 & - N_C2H3_coeff * N_C2H3 & - NH_C2H3_coeff * NH_C2H3 & - C6H5_C2H3_coeff * C6H5_C2H3 & - C2H5_C2H3_coeff * C2H5_C2H3 & - CH3O_C2H3_coeff * CH3O_C2H3 & - HCCO_C2H3_coeff * HCCO_C2H3 & - CN_C2H3_coeff * CN_C2H3 & - NCO_C2H3_coeff * NCO_C2H3 & ) C2H3_ct2 = ( C2H3_ct1 & + CH2_C2H3_coeff * CH2_ct2 & + CH2DXCH2_C2H3_coeff * CH2DXCH2_ct2 & + CH_C2H3_coeff * CH_ct2 & + HCO_C2H3_coeff * HCO_ct2 & + AXXC3H5_C2H3_coeff * AXXC3H5_ct2 & + N_C2H3_coeff * N_ct2 & + NH_C2H3_coeff * NH_ct2 & + C6H5_C2H3_coeff * C6H5_ct2 & + C2H5_C2H3_coeff * C2H5_ct2 & + CH3O_C2H3_coeff * CH3O_ct2 & + HCCO_C2H3_coeff * HCCO_ct2 & + CN_C2H3_coeff * CN_ct2 & + NCO_C2H3_coeff * NCO_ct2 & ) / C2H3_denom2 C2H3_HNO = ( 0.0_pr & + k(r275) * c(sC2H2) & + CH2_C2H3_coeff * CH2_HNO& + CH2DXCH2_C2H3_coeff * CH2DXCH2_HNO& + CH_C2H3_coeff * CH_HNO& + HCO_C2H3_coeff * HCO_HNO& + AXXC3H5_C2H3_coeff * AXXC3H5_HNO& + N_C2H3_coeff * N_HNO& + NH_C2H3_coeff * NH_HNO& + C6H5_C2H3_coeff * C6H5_HNO& + C2H5_C2H3_coeff * C2H5_HNO& + CH3O_C2H3_coeff * CH3O_HNO& + HCCO_C2H3_coeff * HCCO_HNO& + CN_C2H3_coeff * CN_HNO& + NCO_C2H3_coeff * NCO_HNO& ) / C2H3_denom2 C2H3_CH2CHO = ( 0.0_pr & + k(r119b) * c(sOH) + & k(r124b) * c(sO) & + CH2_C2H3_coeff * CH2_CH2CHO& + CH2DXCH2_C2H3_coeff * CH2DXCH2_CH2CHO& + CH_C2H3_coeff * CH_CH2CHO& + HCO_C2H3_coeff * HCO_CH2CHO& + AXXC3H5_C2H3_coeff * AXXC3H5_CH2CHO& + N_C2H3_coeff * N_CH2CHO& + NH_C2H3_coeff * NH_CH2CHO& + C6H5_C2H3_coeff * C6H5_CH2CHO& + C2H5_C2H3_coeff * C2H5_CH2CHO& + CH3O_C2H3_coeff * CH3O_CH2CHO& + HCCO_C2H3_coeff * HCCO_CH2CHO& + CN_C2H3_coeff * CN_CH2CHO& + NCO_C2H3_coeff * NCO_CH2CHO& ) / C2H3_denom2 C2H3_HNO_coeff = ( 0.0_pr & + k(r261) * c(sNO) & + CH2_HNO_coeff * CH2_C2H3 & + CH2DXCH2_HNO_coeff * CH2DXCH2_C2H3 & + CH_HNO_coeff * CH_C2H3 & + HCO_HNO_coeff * HCO_C2H3 & + AXXC3H5_HNO_coeff * AXXC3H5_C2H3 & + N_HNO_coeff * N_C2H3 & + NH_HNO_coeff * NH_C2H3 & + C6H5_HNO_coeff * C6H5_C2H3 & + C2H5_HNO_coeff * C2H5_C2H3 & + CH3O_HNO_coeff * CH3O_C2H3 & + HCCO_HNO_coeff * HCCO_C2H3 & + CN_HNO_coeff * CN_C2H3 & + NCO_HNO_coeff * NCO_C2H3 & ) C2H3_CH2CHO_coeff = ( 0.0_pr & + k(r119f) * c(sHO2)+ & k(r124f) * c(sO2)& + CH2_CH2CHO_coeff * CH2_C2H3 & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_C2H3 & + CH_CH2CHO_coeff * CH_C2H3 & + HCO_CH2CHO_coeff * HCO_C2H3 & + AXXC3H5_CH2CHO_coeff * AXXC3H5_C2H3 & + N_CH2CHO_coeff * N_C2H3 & + NH_CH2CHO_coeff * NH_C2H3 & + C6H5_CH2CHO_coeff * C6H5_C2H3 & + C2H5_CH2CHO_coeff * C2H5_C2H3 & + CH3O_CH2CHO_coeff * CH3O_C2H3 & + HCCO_CH2CHO_coeff * HCCO_C2H3 & + CN_CH2CHO_coeff * CN_C2H3 & + NCO_CH2CHO_coeff * NCO_C2H3 & ) ! HNO --------------------------------------- HNO_denom2 = tiny(1.0_pr) + ( HNO_denom1 & - CH2_HNO_coeff * CH2_HNO & - CH2DXCH2_HNO_coeff * CH2DXCH2_HNO & - CH_HNO_coeff * CH_HNO & - HCO_HNO_coeff * HCO_HNO & - AXXC3H5_HNO_coeff * AXXC3H5_HNO & - N_HNO_coeff * N_HNO & - NH_HNO_coeff * NH_HNO & - C6H5_HNO_coeff * C6H5_HNO & - C2H5_HNO_coeff * C2H5_HNO & - CH3O_HNO_coeff * CH3O_HNO & - HCCO_HNO_coeff * HCCO_HNO & - CN_HNO_coeff * CN_HNO & - NCO_HNO_coeff * NCO_HNO & - C2H3_HNO_coeff * C2H3_HNO & ) HNO_ct2 = ( HNO_ct1 & + CH2_HNO_coeff * CH2_ct2 & + CH2DXCH2_HNO_coeff * CH2DXCH2_ct2 & + CH_HNO_coeff * CH_ct2 & + HCO_HNO_coeff * HCO_ct2 & + AXXC3H5_HNO_coeff * AXXC3H5_ct2 & + N_HNO_coeff * N_ct2 & + NH_HNO_coeff * NH_ct2 & + C6H5_HNO_coeff * C6H5_ct2 & + C2H5_HNO_coeff * C2H5_ct2 & + CH3O_HNO_coeff * CH3O_ct2 & + HCCO_HNO_coeff * HCCO_ct2 & + CN_HNO_coeff * CN_ct2 & + NCO_HNO_coeff * NCO_ct2 & + C2H3_HNO_coeff * C2H3_ct2 & ) / HNO_denom2 HNO_CH2CHO = ( 0.0_pr & + CH2_HNO_coeff * CH2_CH2CHO& + CH2DXCH2_HNO_coeff * CH2DXCH2_CH2CHO& + CH_HNO_coeff * CH_CH2CHO& + HCO_HNO_coeff * HCO_CH2CHO& + AXXC3H5_HNO_coeff * AXXC3H5_CH2CHO& + N_HNO_coeff * N_CH2CHO& + NH_HNO_coeff * NH_CH2CHO& + C6H5_HNO_coeff * C6H5_CH2CHO& + C2H5_HNO_coeff * C2H5_CH2CHO& + CH3O_HNO_coeff * CH3O_CH2CHO& + HCCO_HNO_coeff * HCCO_CH2CHO& + CN_HNO_coeff * CN_CH2CHO& + NCO_HNO_coeff * NCO_CH2CHO& + C2H3_HNO_coeff * C2H3_CH2CHO& ) / HNO_denom2 HNO_CH2CHO_coeff = ( 0.0_pr & + CH2_CH2CHO_coeff * CH2_HNO & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_HNO & + CH_CH2CHO_coeff * CH_HNO & + HCO_CH2CHO_coeff * HCO_HNO & + AXXC3H5_CH2CHO_coeff * AXXC3H5_HNO & + N_CH2CHO_coeff * N_HNO & + NH_CH2CHO_coeff * NH_HNO & + C6H5_CH2CHO_coeff * C6H5_HNO & + C2H5_CH2CHO_coeff * C2H5_HNO & + CH3O_CH2CHO_coeff * CH3O_HNO & + HCCO_CH2CHO_coeff * HCCO_HNO & + CN_CH2CHO_coeff * CN_HNO & + NCO_CH2CHO_coeff * NCO_HNO & + C2H3_CH2CHO_coeff * C2H3_HNO & ) ! CH2CHO --------------------------------------- CH2CHO_denom2 = tiny(1.0_pr) + ( CH2CHO_denom1 & - CH2_CH2CHO_coeff * CH2_CH2CHO & - CH2DXCH2_CH2CHO_coeff * CH2DXCH2_CH2CHO & - CH_CH2CHO_coeff * CH_CH2CHO & - HCO_CH2CHO_coeff * HCO_CH2CHO & - AXXC3H5_CH2CHO_coeff * AXXC3H5_CH2CHO & - N_CH2CHO_coeff * N_CH2CHO & - NH_CH2CHO_coeff * NH_CH2CHO & - C6H5_CH2CHO_coeff * C6H5_CH2CHO & - C2H5_CH2CHO_coeff * C2H5_CH2CHO & - CH3O_CH2CHO_coeff * CH3O_CH2CHO & - HCCO_CH2CHO_coeff * HCCO_CH2CHO & - CN_CH2CHO_coeff * CN_CH2CHO & - NCO_CH2CHO_coeff * NCO_CH2CHO & - C2H3_CH2CHO_coeff * C2H3_CH2CHO & - HNO_CH2CHO_coeff * HNO_CH2CHO & ) CH2CHO_ct2 = ( CH2CHO_ct1 & + CH2_CH2CHO_coeff * CH2_ct2 & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_ct2 & + CH_CH2CHO_coeff * CH_ct2 & + HCO_CH2CHO_coeff * HCO_ct2 & + AXXC3H5_CH2CHO_coeff * AXXC3H5_ct2 & + N_CH2CHO_coeff * N_ct2 & + NH_CH2CHO_coeff * NH_ct2 & + C6H5_CH2CHO_coeff * C6H5_ct2 & + C2H5_CH2CHO_coeff * C2H5_ct2 & + CH3O_CH2CHO_coeff * CH3O_ct2 & + HCCO_CH2CHO_coeff * HCCO_ct2 & + CN_CH2CHO_coeff * CN_ct2 & + NCO_CH2CHO_coeff * NCO_ct2 & + C2H3_CH2CHO_coeff * C2H3_ct2 & + HNO_CH2CHO_coeff * HNO_ct2 & ) / CH2CHO_denom2 ! Reconstruction ------------------------------------ cqss(sCH2CHO-nspec) = ( CH2CHO_ct2 & ) cqss(sHNO-nspec) = ( HNO_ct2 & + HNO_CH2CHO * cqss(sCH2CHO-nspec) & ) cqss(sC2H3-nspec) = ( C2H3_ct2 & + C2H3_HNO * cqss(sHNO-nspec) & + C2H3_CH2CHO * cqss(sCH2CHO-nspec) & ) cqss(sNCO-nspec) = ( NCO_ct2 & + NCO_C2H3 * cqss(sC2H3-nspec) & + NCO_HNO * cqss(sHNO-nspec) & + NCO_CH2CHO * cqss(sCH2CHO-nspec) & ) cqss(sCN-nspec) = ( CN_ct2 & + CN_NCO * cqss(sNCO-nspec) & + CN_C2H3 * cqss(sC2H3-nspec) & + CN_HNO * cqss(sHNO-nspec) & + CN_CH2CHO * cqss(sCH2CHO-nspec) & ) cqss(sHCCO-nspec) = ( HCCO_ct2 & + HCCO_CN * cqss(sCN-nspec) & + HCCO_NCO * cqss(sNCO-nspec) & + HCCO_C2H3 * cqss(sC2H3-nspec) & + HCCO_HNO * cqss(sHNO-nspec) & + HCCO_CH2CHO * cqss(sCH2CHO-nspec) & ) cqss(sCH3O-nspec) = ( CH3O_ct2 & + CH3O_HCCO * cqss(sHCCO-nspec) & + CH3O_CN * cqss(sCN-nspec) & + CH3O_NCO * cqss(sNCO-nspec) & + CH3O_C2H3 * cqss(sC2H3-nspec) & + CH3O_HNO * cqss(sHNO-nspec) & + CH3O_CH2CHO * cqss(sCH2CHO-nspec) & ) cqss(sC2H5-nspec) = ( C2H5_ct2 & + C2H5_CH3O * cqss(sCH3O-nspec) & + C2H5_HCCO * cqss(sHCCO-nspec) & + C2H5_CN * cqss(sCN-nspec) & + C2H5_NCO * cqss(sNCO-nspec) & + C2H5_C2H3 * cqss(sC2H3-nspec) & + C2H5_HNO * cqss(sHNO-nspec) & + C2H5_CH2CHO * cqss(sCH2CHO-nspec) & ) cqss(sC6H5-nspec) = ( C6H5_ct2 & + C6H5_C2H5 * cqss(sC2H5-nspec) & + C6H5_CH3O * cqss(sCH3O-nspec) & + C6H5_HCCO * cqss(sHCCO-nspec) & + C6H5_CN * cqss(sCN-nspec) & + C6H5_NCO * cqss(sNCO-nspec) & + C6H5_C2H3 * cqss(sC2H3-nspec) & + C6H5_HNO * cqss(sHNO-nspec) & + C6H5_CH2CHO * cqss(sCH2CHO-nspec) & ) cqss(sNH-nspec) = ( NH_ct2 & + NH_C6H5 * cqss(sC6H5-nspec) & + NH_C2H5 * cqss(sC2H5-nspec) & + NH_CH3O * cqss(sCH3O-nspec) & + NH_HCCO * cqss(sHCCO-nspec) & + NH_CN * cqss(sCN-nspec) & + NH_NCO * cqss(sNCO-nspec) & + NH_C2H3 * cqss(sC2H3-nspec) & + NH_HNO * cqss(sHNO-nspec) & + NH_CH2CHO * cqss(sCH2CHO-nspec) & ) cqss(sN-nspec) = ( N_ct2 & + N_NH * cqss(sNH-nspec) & + N_C6H5 * cqss(sC6H5-nspec) & + N_C2H5 * cqss(sC2H5-nspec) & + N_CH3O * cqss(sCH3O-nspec) & + N_HCCO * cqss(sHCCO-nspec) & + N_CN * cqss(sCN-nspec) & + N_NCO * cqss(sNCO-nspec) & + N_C2H3 * cqss(sC2H3-nspec) & + N_HNO * cqss(sHNO-nspec) & + N_CH2CHO * cqss(sCH2CHO-nspec) & ) cqss(sAXXC3H5-nspec) = ( AXXC3H5_ct2 & + AXXC3H5_N * cqss(sN-nspec) & + AXXC3H5_NH * cqss(sNH-nspec) & + AXXC3H5_C6H5 * cqss(sC6H5-nspec) & + AXXC3H5_C2H5 * cqss(sC2H5-nspec) & + AXXC3H5_CH3O * cqss(sCH3O-nspec) & + AXXC3H5_HCCO * cqss(sHCCO-nspec) & + AXXC3H5_CN * cqss(sCN-nspec) & + AXXC3H5_NCO * cqss(sNCO-nspec) & + AXXC3H5_C2H3 * cqss(sC2H3-nspec) & + AXXC3H5_HNO * cqss(sHNO-nspec) & + AXXC3H5_CH2CHO * cqss(sCH2CHO-nspec) & ) cqss(sHCO-nspec) = ( HCO_ct2 & + HCO_AXXC3H5 * cqss(sAXXC3H5-nspec) & + HCO_N * cqss(sN-nspec) & + HCO_NH * cqss(sNH-nspec) & + HCO_C6H5 * cqss(sC6H5-nspec) & + HCO_C2H5 * cqss(sC2H5-nspec) & + HCO_CH3O * cqss(sCH3O-nspec) & + HCO_HCCO * cqss(sHCCO-nspec) & + HCO_CN * cqss(sCN-nspec) & + HCO_NCO * cqss(sNCO-nspec) & + HCO_C2H3 * cqss(sC2H3-nspec) & + HCO_HNO * cqss(sHNO-nspec) & + HCO_CH2CHO * cqss(sCH2CHO-nspec) & ) cqss(sCH-nspec) = ( CH_ct2 & + CH_HCO * cqss(sHCO-nspec) & + CH_AXXC3H5 * cqss(sAXXC3H5-nspec) & + CH_N * cqss(sN-nspec) & + CH_NH * cqss(sNH-nspec) & + CH_C6H5 * cqss(sC6H5-nspec) & + CH_C2H5 * cqss(sC2H5-nspec) & + CH_CH3O * cqss(sCH3O-nspec) & + CH_HCCO * cqss(sHCCO-nspec) & + CH_CN * cqss(sCN-nspec) & + CH_NCO * cqss(sNCO-nspec) & + CH_C2H3 * cqss(sC2H3-nspec) & + CH_HNO * cqss(sHNO-nspec) & + CH_CH2CHO * cqss(sCH2CHO-nspec) & ) cqss(sCH2DXCH2-nspec) = ( CH2DXCH2_ct2 & + CH2DXCH2_CH * cqss(sCH-nspec) & + CH2DXCH2_HCO * cqss(sHCO-nspec) & + CH2DXCH2_AXXC3H5 * cqss(sAXXC3H5-nspec) & + CH2DXCH2_N * cqss(sN-nspec) & + CH2DXCH2_NH * cqss(sNH-nspec) & + CH2DXCH2_C6H5 * cqss(sC6H5-nspec) & + CH2DXCH2_C2H5 * cqss(sC2H5-nspec) & + CH2DXCH2_CH3O * cqss(sCH3O-nspec) & + CH2DXCH2_HCCO * cqss(sHCCO-nspec) & + CH2DXCH2_CN * cqss(sCN-nspec) & + CH2DXCH2_NCO * cqss(sNCO-nspec) & + CH2DXCH2_C2H3 * cqss(sC2H3-nspec) & + CH2DXCH2_HNO * cqss(sHNO-nspec) & + CH2DXCH2_CH2CHO * cqss(sCH2CHO-nspec) & ) cqss(sCH2-nspec) = ( CH2_ct2 & + CH2_CH2DXCH2 * cqss(sCH2DXCH2-nspec) & + CH2_CH * cqss(sCH-nspec) & + CH2_HCO * cqss(sHCO-nspec) & + CH2_AXXC3H5 * cqss(sAXXC3H5-nspec) & + CH2_N * cqss(sN-nspec) & + CH2_NH * cqss(sNH-nspec) & + CH2_C6H5 * cqss(sC6H5-nspec) & + CH2_C2H5 * cqss(sC2H5-nspec) & + CH2_CH3O * cqss(sCH3O-nspec) & + CH2_HCCO * cqss(sHCCO-nspec) & + CH2_CN * cqss(sCN-nspec) & + CH2_NCO * cqss(sNCO-nspec) & + CH2_C2H3 * cqss(sC2H3-nspec) & + CH2_HNO * cqss(sHNO-nspec) & + CH2_CH2CHO * cqss(sCH2CHO-nspec) & ) ! cqss(sH2CN) (uncoupled) -------------------- cqss(sH2CN-nspec) = ( 0.0_pr & + k(r218) * cqss(sN-nspec) *c(sCH3)& + k(r266) * c(sCH3) * c(sNO)& + k(r299) * c(sHCN) * c(sH) * M(mM246)& + k(r337) * c(sN2) * cqss(sCH2-nspec)& ) / ( tiny(1.0_pr) + ( & + k(r314) * c(sOH)& + k(r315) * M(mM245)& ) ) end subroutine get_QSS end module mHYCHEMNOX2954817AF !subroutine externe au module pour CANTERA subroutine customkinetics(P, T, Y, WDOT) use mHYCHEMNOX2954817AF implicit none real(pr), dimension(nspec) :: Y,c,WDOT real(pr), dimension(nspec + nqss) :: H,dH,Cp real(pr), dimension(nqss) :: cqss real(pr), dimension(nreac) :: w,k real(pr), dimension(33) :: m real(pr) :: T,P CALL YtoC(c,P,T,Y) CALL get_thirdbodies(M,c) CALL get_rate_coefficients(k,M,T,P) CALL get_QSS(cqss,c,k,M) CALL get_reaction_rates(w,k,M,c,cqss) CALL get_production_rates(WDOT,w) return end subroutine customkinetics