!-------------------------------------------------------------------------------------------------- ! Copyright (c) CERFACS (all rights reserved) !-------------------------------------------------------------------------------------------------- ! FILE reduced/reducedS30R299QSS22_0.f90 !> Module for calculating the analytical source terms for !! @details => Mechanism designed for spark ignition simulations with JetA fuel at atmospheric (P=1bar, T=300K) and high altitude conditions (P=0.3bar, T=233K). !! @author => Antoine PESTRE !! @date => 20 Mai 2020 !! @since => Cantera 2.3_avbp !! @detailed_mechanism => POLIMI_491_15276 (september 2019) !! @fuel => 60% NC12H26 + 20% MCYC6 + 20% XYLENE (mole) !! @oxidizer => Air !! @cases/errors => 0D isobaric P:0.3 bar, T:1600K, phi:0.6-1-1.5, E(tig)<10%, E(Hrr_dist)<5%. !! => 0D isobaric P:0.3 bar, T:3000K, phi:0.6-1-1.5, E(Hrr_dist)<5%. !! => 1D premixed flames P:0.3 bar, T:233K, phi:0.6-1-1.5, E(Sl)<7.5%, E(T_end)<5%, E(CO2_end)<5%, E(H2O_end)<5%. !! @publications => A. Pestre et al, Euler–Lagrange numerical simulation of a kerosene droplet mist ignition in air using analytically reduced chemistry, Spray and Combustion Dynamics, 2023 !! @others => The schemes available on the chemistry website (this file) are dedicated to Cantera computations and do not include the exponential integration. !! On the contrary, the scheme included to the AVBP sources is based on the exponential integration of the chemical source terms to reduced the chemical stiffness. !! => LDSC method is required to reduce the scheme stiffness and is mandatory for TPF simulations using the exponential integration formalism. !-------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------- ! MODULE mod_customkinetics !> @details Generated by ARCANE custom kinetics routine to compute the chemical source terms. !! @authors Q. Cazères, J. Wirtz, P. Pepiot !! @date 24/01/2019 !-------------------------------------------------------------------------------------------------- module mod_customkinetics implicit none integer, parameter :: pr = selected_real_kind(15,307) ! Ideal gas constant real(pr), parameter :: Rcst = 8.3144621_pr ! Use semi-implicit formulation for select species logical, parameter :: semiImplicit = .False. ! Number of non-qss and qss species and reactions integer, parameter :: nspec = 30 integer, parameter :: nqss = 22 integer, parameter :: nreac = 299 integer, parameter :: nreac_reverse = 223 ! Actual expression of each reaction character(len=65), dimension(nreac + nreac_reverse) :: reacexp ! Number of thirdbodies integer, parameter :: nTB = 5 integer, parameter :: nFO = 16 integer, parameter :: nTB_reverse = 5 integer, parameter :: nFO_reverse = 16 ! Index of species integer, parameter :: sN2 = 1 integer, parameter :: sH2 = 2 integer, parameter :: sH = 3 integer, parameter :: sO2 = 4 integer, parameter :: sO = 5 integer, parameter :: sH2O = 6 integer, parameter :: sOH = 7 integer, parameter :: sHO2 = 8 integer, parameter :: sCO = 9 integer, parameter :: sCO2 = 10 integer, parameter :: sCH4 = 11 integer, parameter :: sCH3 = 12 integer, parameter :: sCH2O = 13 integer, parameter :: sC2H5 = 14 integer, parameter :: sC2H4 = 15 integer, parameter :: sC2H2 = 16 integer, parameter :: sC3H6 = 17 integer, parameter :: sC3H4XA = 18 integer, parameter :: sC4H8X1 = 19 integer, parameter :: sNC5H11 = 20 integer, parameter :: sNC5H10 = 21 integer, parameter :: sNC7H15 = 22 integer, parameter :: sNC7H14 = 23 integer, parameter :: sMCYC6 = 24 integer, parameter :: sNC12H26 = 25 integer, parameter :: sXYLENE = 26 integer, parameter :: sRXYLENE = 27 integer, parameter :: sC6H4 = 28 integer, parameter :: sC3H7GL1G = 29 integer, parameter :: sCH3OGL1G = 30 integer, parameter :: sqssCH2GSG = 1 integer, parameter :: sqssC = 2 integer, parameter :: sqssCH = 3 integer, parameter :: sqssHCO = 4 integer, parameter :: sqssC2H6 = 5 integer, parameter :: sqssC2H3 = 6 integer, parameter :: sqssC2H = 7 integer, parameter :: sqssCH2CHO = 8 integer, parameter :: sqssCH2CO = 9 integer, parameter :: sqssHCCO = 10 integer, parameter :: sqssC3H5XA = 11 integer, parameter :: sqssC3H3 = 12 integer, parameter :: sqssC3H2 = 13 integer, parameter :: sqssPC4H9 = 14 integer, parameter :: sqssIC4H8 = 15 integer, parameter :: sqssC4H71X3 = 16 integer, parameter :: sqssC4H6 = 17 integer, parameter :: sqssCH3C6H4 = 18 integer, parameter :: sqssNC12H25 = 19 integer, parameter :: sqssC6H4O2 = 20 integer, parameter :: sqssC6H2 = 21 integer, parameter :: sqssC6H3 = 22 ! 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 :: r37f = 37 integer, parameter :: r38f = 38 integer, parameter :: r39f = 39 integer, parameter :: r40f = 40 integer, parameter :: r41f = 41 integer, parameter :: r42f = 42 integer, parameter :: r43f = 43 integer, parameter :: r44f = 44 integer, parameter :: r45f = 45 integer, parameter :: r46f = 46 integer, parameter :: r47f = 47 integer, parameter :: r48f = 48 integer, parameter :: r49f = 49 integer, parameter :: r50f = 50 integer, parameter :: r51f = 51 integer, parameter :: r52f = 52 integer, parameter :: r53f = 53 integer, parameter :: r54f = 54 integer, parameter :: r55f = 55 integer, parameter :: r56f = 56 integer, parameter :: r57f = 57 integer, parameter :: r58f = 58 integer, parameter :: r59f = 59 integer, parameter :: r60f = 60 integer, parameter :: r61f = 61 integer, parameter :: r62f = 62 integer, parameter :: r63f = 63 integer, parameter :: r64f = 64 integer, parameter :: r65f = 65 integer, parameter :: r66f = 66 integer, parameter :: r67f = 67 integer, parameter :: r68f = 68 integer, parameter :: r69f = 69 integer, parameter :: r70f = 70 integer, parameter :: r71f = 71 integer, parameter :: r72f = 72 integer, parameter :: r73f = 73 integer, parameter :: r74f = 74 integer, parameter :: r75f = 75 integer, parameter :: r76f = 76 integer, parameter :: r77f = 77 integer, parameter :: r78f = 78 integer, parameter :: r79f = 79 integer, parameter :: r80f = 80 integer, parameter :: r81f = 81 integer, parameter :: r82f = 82 integer, parameter :: r83f = 83 integer, parameter :: r84f = 84 integer, parameter :: r85f = 85 integer, parameter :: r86f = 86 integer, parameter :: r87f = 87 integer, parameter :: r88f = 88 integer, parameter :: r89f = 89 integer, parameter :: r90f = 90 integer, parameter :: r91f = 91 integer, parameter :: r92f = 92 integer, parameter :: r93f = 93 integer, parameter :: r94f = 94 integer, parameter :: r95f = 95 integer, parameter :: r96f = 96 integer, parameter :: r97f = 97 integer, parameter :: r98f = 98 integer, parameter :: r99f = 99 integer, parameter :: r100f = 100 integer, parameter :: r101f = 101 integer, parameter :: r102f = 102 integer, parameter :: r103f = 103 integer, parameter :: r104f = 104 integer, parameter :: r105f = 105 integer, parameter :: r106f = 106 integer, parameter :: r107f = 107 integer, parameter :: r108f = 108 integer, parameter :: r109f = 109 integer, parameter :: r110f = 110 integer, parameter :: r111f = 111 integer, parameter :: r112f = 112 integer, parameter :: r113f = 113 integer, parameter :: r114f = 114 integer, parameter :: r115f = 115 integer, parameter :: r116f = 116 integer, parameter :: r117f = 117 integer, parameter :: r118f = 118 integer, parameter :: r119f = 119 integer, parameter :: r120f = 120 integer, parameter :: r121f = 121 integer, parameter :: r122f = 122 integer, parameter :: r123f = 123 integer, parameter :: r124f = 124 integer, parameter :: r125f = 125 integer, parameter :: r126f = 126 integer, parameter :: r127f = 127 integer, parameter :: r128f = 128 integer, parameter :: r129f = 129 integer, parameter :: r130f = 130 integer, parameter :: r131f = 131 integer, parameter :: r132f = 132 integer, parameter :: r133f = 133 integer, parameter :: r134f = 134 integer, parameter :: r135f = 135 integer, parameter :: r136f = 136 integer, parameter :: r137f = 137 integer, parameter :: r138f = 138 integer, parameter :: r139f = 139 integer, parameter :: r140f = 140 integer, parameter :: r141f = 141 integer, parameter :: r142f = 142 integer, parameter :: r143f = 143 integer, parameter :: r144f = 144 integer, parameter :: r145f = 145 integer, parameter :: r146f = 146 integer, parameter :: r147f = 147 integer, parameter :: r148f = 148 integer, parameter :: r149f = 149 integer, parameter :: r150f = 150 integer, parameter :: r151f = 151 integer, parameter :: r152f = 152 integer, parameter :: r153f = 153 integer, parameter :: r154f = 154 integer, parameter :: r155f = 155 integer, parameter :: r156f = 156 integer, parameter :: r157f = 157 integer, parameter :: r158f = 158 integer, parameter :: r159f = 159 integer, parameter :: r160f = 160 integer, parameter :: r161f = 161 integer, parameter :: r162f = 162 integer, parameter :: r163f = 163 integer, parameter :: r164f = 164 integer, parameter :: r165f = 165 integer, parameter :: r166f = 166 integer, parameter :: r167f = 167 integer, parameter :: r168f = 168 integer, parameter :: r169f = 169 integer, parameter :: r170f = 170 integer, parameter :: r171f = 171 integer, parameter :: r172f = 172 integer, parameter :: r173f = 173 integer, parameter :: r174f = 174 integer, parameter :: r175f = 175 integer, parameter :: r176f = 176 integer, parameter :: r177f = 177 integer, parameter :: r178f = 178 integer, parameter :: r179f = 179 integer, parameter :: r180f = 180 integer, parameter :: r181f = 181 integer, parameter :: r182f = 182 integer, parameter :: r183f = 183 integer, parameter :: r184f = 184 integer, parameter :: r185f = 185 integer, parameter :: r186f = 186 integer, parameter :: r187f = 187 integer, parameter :: r188f = 188 integer, parameter :: r189f = 189 integer, parameter :: r190f = 190 integer, parameter :: r191f = 191 integer, parameter :: r192f = 192 integer, parameter :: r193f = 193 integer, parameter :: r194f = 194 integer, parameter :: r195f = 195 integer, parameter :: r196f = 196 integer, parameter :: r197f = 197 integer, parameter :: r198f = 198 integer, parameter :: r199f = 199 integer, parameter :: r200f = 200 integer, parameter :: r201f = 201 integer, parameter :: r202f = 202 integer, parameter :: r203f = 203 integer, parameter :: r204f = 204 integer, parameter :: r205f = 205 integer, parameter :: r206f = 206 integer, parameter :: r207f = 207 integer, parameter :: r208f = 208 integer, parameter :: r209f = 209 integer, parameter :: r210f = 210 integer, parameter :: r211f = 211 integer, parameter :: r212f = 212 integer, parameter :: r213f = 213 integer, parameter :: r214f = 214 integer, parameter :: r215f = 215 integer, parameter :: r216f = 216 integer, parameter :: r217f = 217 integer, parameter :: r218f = 218 integer, parameter :: r219f = 219 integer, parameter :: r220f = 220 integer, parameter :: r221f = 221 integer, parameter :: r222f = 222 integer, parameter :: r223f = 223 integer, parameter :: r224f = 224 integer, parameter :: r225f = 225 integer, parameter :: r226f = 226 integer, parameter :: r227f = 227 integer, parameter :: r228f = 228 integer, parameter :: r229f = 229 integer, parameter :: r230f = 230 integer, parameter :: r231f = 231 integer, parameter :: r232f = 232 integer, parameter :: r233f = 233 integer, parameter :: r234f = 234 integer, parameter :: r235f = 235 integer, parameter :: r236f = 236 integer, parameter :: r237f = 237 integer, parameter :: r238f = 238 integer, parameter :: r239f = 239 integer, parameter :: r240f = 240 integer, parameter :: r241f = 241 integer, parameter :: r242f = 242 integer, parameter :: r243f = 243 integer, parameter :: r244f = 244 integer, parameter :: r245f = 245 integer, parameter :: r246f = 246 integer, parameter :: r247f = 247 integer, parameter :: r248f = 248 integer, parameter :: r249f = 249 integer, parameter :: r250f = 250 integer, parameter :: r251f = 251 integer, parameter :: r252f = 252 integer, parameter :: r253f = 253 integer, parameter :: r254f = 254 integer, parameter :: r255f = 255 integer, parameter :: r256f = 256 integer, parameter :: r257f = 257 integer, parameter :: r258f = 258 integer, parameter :: r259f = 259 integer, parameter :: r260f = 260 integer, parameter :: r261f = 261 integer, parameter :: r262f = 262 integer, parameter :: r263f = 263 integer, parameter :: r264f = 264 integer, parameter :: r265f = 265 integer, parameter :: r266f = 266 integer, parameter :: r267f = 267 integer, parameter :: r268f = 268 integer, parameter :: r269f = 269 integer, parameter :: r270f = 270 integer, parameter :: r271f = 271 integer, parameter :: r272f = 272 integer, parameter :: r273f = 273 integer, parameter :: r274f = 274 integer, parameter :: r275f = 275 integer, parameter :: r276f = 276 integer, parameter :: r277f = 277 integer, parameter :: r278f = 278 integer, parameter :: r279f = 279 integer, parameter :: r280f = 280 integer, parameter :: r281f = 281 integer, parameter :: r282f = 282 integer, parameter :: r283f = 283 integer, parameter :: r284f = 284 integer, parameter :: r285f = 285 integer, parameter :: r286f = 286 integer, parameter :: r287f = 287 integer, parameter :: r288f = 288 integer, parameter :: r289f = 289 integer, parameter :: r290f = 290 integer, parameter :: r291f = 291 integer, parameter :: r292f = 292 integer, parameter :: r293f = 293 integer, parameter :: r294f = 294 integer, parameter :: r295f = 295 integer, parameter :: r296f = 296 integer, parameter :: r297f = 297 integer, parameter :: r298f = 298 integer, parameter :: r299f = 299 integer, parameter :: r1b = 300 integer, parameter :: r2b = 301 integer, parameter :: r3b = 302 integer, parameter :: r4b = 303 integer, parameter :: r5b = 304 integer, parameter :: r6b = 305 integer, parameter :: r7b = 306 integer, parameter :: r8b = 307 integer, parameter :: r9b = 308 integer, parameter :: r10b = 309 integer, parameter :: r11b = 310 integer, parameter :: r12b = 311 integer, parameter :: r13b = 312 integer, parameter :: r14b = 313 integer, parameter :: r15b = 314 integer, parameter :: r16b = 315 integer, parameter :: r17b = 316 integer, parameter :: r18b = 317 integer, parameter :: r19b = 318 integer, parameter :: r21b = 319 integer, parameter :: r22b = 320 integer, parameter :: r23b = 321 integer, parameter :: r24b = 322 integer, parameter :: r25b = 323 integer, parameter :: r26b = 324 integer, parameter :: r27b = 325 integer, parameter :: r28b = 326 integer, parameter :: r29b = 327 integer, parameter :: r30b = 328 integer, parameter :: r31b = 329 integer, parameter :: r32b = 330 integer, parameter :: r33b = 331 integer, parameter :: r34b = 332 integer, parameter :: r35b = 333 integer, parameter :: r36b = 334 integer, parameter :: r37b = 335 integer, parameter :: r38b = 336 integer, parameter :: r39b = 337 integer, parameter :: r40b = 338 integer, parameter :: r41b = 339 integer, parameter :: r42b = 340 integer, parameter :: r43b = 341 integer, parameter :: r44b = 342 integer, parameter :: r45b = 343 integer, parameter :: r46b = 344 integer, parameter :: r47b = 345 integer, parameter :: r48b = 346 integer, parameter :: r49b = 347 integer, parameter :: r50b = 348 integer, parameter :: r51b = 349 integer, parameter :: r52b = 350 integer, parameter :: r53b = 351 integer, parameter :: r54b = 352 integer, parameter :: r55b = 353 integer, parameter :: r56b = 354 integer, parameter :: r57b = 355 integer, parameter :: r58b = 356 integer, parameter :: r59b = 357 integer, parameter :: r60b = 358 integer, parameter :: r62b = 359 integer, parameter :: r63b = 360 integer, parameter :: r64b = 361 integer, parameter :: r65b = 362 integer, parameter :: r66b = 363 integer, parameter :: r67b = 364 integer, parameter :: r68b = 365 integer, parameter :: r69b = 366 integer, parameter :: r70b = 367 integer, parameter :: r71b = 368 integer, parameter :: r72b = 369 integer, parameter :: r73b = 370 integer, parameter :: r74b = 371 integer, parameter :: r75b = 372 integer, parameter :: r76b = 373 integer, parameter :: r77b = 374 integer, parameter :: r78b = 375 integer, parameter :: r79b = 376 integer, parameter :: r80b = 377 integer, parameter :: r81b = 378 integer, parameter :: r82b = 379 integer, parameter :: r83b = 380 integer, parameter :: r84b = 381 integer, parameter :: r85b = 382 integer, parameter :: r86b = 383 integer, parameter :: r87b = 384 integer, parameter :: r88b = 385 integer, parameter :: r89b = 386 integer, parameter :: r90b = 387 integer, parameter :: r91b = 388 integer, parameter :: r92b = 389 integer, parameter :: r95b = 390 integer, parameter :: r96b = 391 integer, parameter :: r97b = 392 integer, parameter :: r98b = 393 integer, parameter :: r99b = 394 integer, parameter :: r100b = 395 integer, parameter :: r101b = 396 integer, parameter :: r102b = 397 integer, parameter :: r103b = 398 integer, parameter :: r104b = 399 integer, parameter :: r105b = 400 integer, parameter :: r106b = 401 integer, parameter :: r107b = 402 integer, parameter :: r108b = 403 integer, parameter :: r109b = 404 integer, parameter :: r110b = 405 integer, parameter :: r111b = 406 integer, parameter :: r112b = 407 integer, parameter :: r113b = 408 integer, parameter :: r114b = 409 integer, parameter :: r115b = 410 integer, parameter :: r116b = 411 integer, parameter :: r119b = 412 integer, parameter :: r120b = 413 integer, parameter :: r123b = 414 integer, parameter :: r124b = 415 integer, parameter :: r126b = 416 integer, parameter :: r127b = 417 integer, parameter :: r128b = 418 integer, parameter :: r129b = 419 integer, parameter :: r130b = 420 integer, parameter :: r131b = 421 integer, parameter :: r132b = 422 integer, parameter :: r133b = 423 integer, parameter :: r134b = 424 integer, parameter :: r135b = 425 integer, parameter :: r136b = 426 integer, parameter :: r137b = 427 integer, parameter :: r138b = 428 integer, parameter :: r139b = 429 integer, parameter :: r140b = 430 integer, parameter :: r141b = 431 integer, parameter :: r142b = 432 integer, parameter :: r143b = 433 integer, parameter :: r144b = 434 integer, parameter :: r146b = 435 integer, parameter :: r147b = 436 integer, parameter :: r148b = 437 integer, parameter :: r149b = 438 integer, parameter :: r150b = 439 integer, parameter :: r151b = 440 integer, parameter :: r152b = 441 integer, parameter :: r153b = 442 integer, parameter :: r154b = 443 integer, parameter :: r155b = 444 integer, parameter :: r156b = 445 integer, parameter :: r157b = 446 integer, parameter :: r158b = 447 integer, parameter :: r159b = 448 integer, parameter :: r160b = 449 integer, parameter :: r161b = 450 integer, parameter :: r162b = 451 integer, parameter :: r163b = 452 integer, parameter :: r164b = 453 integer, parameter :: r165b = 454 integer, parameter :: r166b = 455 integer, parameter :: r167b = 456 integer, parameter :: r169b = 457 integer, parameter :: r170b = 458 integer, parameter :: r171b = 459 integer, parameter :: r172b = 460 integer, parameter :: r173b = 461 integer, parameter :: r174b = 462 integer, parameter :: r175b = 463 integer, parameter :: r176b = 464 integer, parameter :: r177b = 465 integer, parameter :: r178b = 466 integer, parameter :: r179b = 467 integer, parameter :: r180b = 468 integer, parameter :: r181b = 469 integer, parameter :: r182b = 470 integer, parameter :: r183b = 471 integer, parameter :: r184b = 472 integer, parameter :: r185b = 473 integer, parameter :: r186b = 474 integer, parameter :: r187b = 475 integer, parameter :: r188b = 476 integer, parameter :: r189b = 477 integer, parameter :: r190b = 478 integer, parameter :: r191b = 479 integer, parameter :: r193b = 480 integer, parameter :: r194b = 481 integer, parameter :: r195b = 482 integer, parameter :: r196b = 483 integer, parameter :: r205b = 484 integer, parameter :: r206b = 485 integer, parameter :: r207b = 486 integer, parameter :: r208b = 487 integer, parameter :: r209b = 488 integer, parameter :: r210b = 489 integer, parameter :: r211b = 490 integer, parameter :: r214b = 491 integer, parameter :: r215b = 492 integer, parameter :: r216b = 493 integer, parameter :: r217b = 494 integer, parameter :: r218b = 495 integer, parameter :: r220b = 496 integer, parameter :: r223b = 497 integer, parameter :: r224b = 498 integer, parameter :: r225b = 499 integer, parameter :: r226b = 500 integer, parameter :: r227b = 501 integer, parameter :: r228b = 502 integer, parameter :: r232b = 503 integer, parameter :: r243b = 504 integer, parameter :: r255b = 505 integer, parameter :: r256b = 506 integer, parameter :: r257b = 507 integer, parameter :: r258b = 508 integer, parameter :: r260b = 509 integer, parameter :: r261b = 510 integer, parameter :: r263b = 511 integer, parameter :: r264b = 512 integer, parameter :: r265b = 513 integer, parameter :: r266b = 514 integer, parameter :: r267b = 515 integer, parameter :: r278b = 516 integer, parameter :: r279b = 517 integer, parameter :: r280b = 518 integer, parameter :: r282b = 519 integer, parameter :: r296b = 520 integer, parameter :: r297b = 521 integer, parameter :: r299b = 522 ! Index of third body species integer, parameter :: mM4 = 1 integer, parameter :: mM54 = 2 integer, parameter :: mM76 = 3 integer, parameter :: mM119 = 4 integer, parameter :: mM209 = 5 integer, parameter :: mM11 = 6 integer, parameter :: mM12 = 7 integer, parameter :: mM15 = 8 integer, parameter :: mM47 = 9 integer, parameter :: mM48 = 10 integer, parameter :: mM62 = 11 integer, parameter :: mM63 = 12 integer, parameter :: mM64 = 13 integer, parameter :: mM65 = 14 integer, parameter :: mM70 = 15 integer, parameter :: mM84 = 16 integer, parameter :: mM111 = 17 integer, parameter :: mM112 = 18 integer, parameter :: mM126 = 19 integer, parameter :: mM177 = 20 integer, parameter :: mM243 = 21 ! Index of third body reactions integer, parameter :: TBr4f = 1 integer, parameter :: TBr54f = 2 integer, parameter :: TBr76f = 3 integer, parameter :: TBr119f = 4 integer, parameter :: TBr209f = 5 integer, parameter :: TBr4b = 6 integer, parameter :: TBr54b = 7 integer, parameter :: TBr76b = 8 integer, parameter :: TBr119b = 9 integer, parameter :: TBr209b = 10 ! Index of fall off reactions integer, parameter :: FOr11f = 1 integer, parameter :: FOr12f = 2 integer, parameter :: FOr15f = 3 integer, parameter :: FOr47f = 4 integer, parameter :: FOr48f = 5 integer, parameter :: FOr62f = 6 integer, parameter :: FOr63f = 7 integer, parameter :: FOr64f = 8 integer, parameter :: FOr65f = 9 integer, parameter :: FOr70f = 10 integer, parameter :: FOr84f = 11 integer, parameter :: FOr111f = 12 integer, parameter :: FOr112f = 13 integer, parameter :: FOr126f = 14 integer, parameter :: FOr177f = 15 integer, parameter :: FOr243f = 16 integer, parameter :: FOr11b = 17 integer, parameter :: FOr12b = 18 integer, parameter :: FOr15b = 19 integer, parameter :: FOr47b = 20 integer, parameter :: FOr48b = 21 integer, parameter :: FOr62b = 22 integer, parameter :: FOr63b = 23 integer, parameter :: FOr64b = 24 integer, parameter :: FOr65b = 25 integer, parameter :: FOr70b = 26 integer, parameter :: FOr84b = 27 integer, parameter :: FOr111b = 28 integer, parameter :: FOr112b = 29 integer, parameter :: FOr126b = 30 integer, parameter :: FOr177b = 31 integer, parameter :: FOr243b = 32 ! Molar mass real(pr), parameter, dimension(nspec) :: W_sp =(/ & 0.02801348_pr, & ! N2 0.00201588_pr, & ! H2 0.00100794_pr, & ! H 0.0319988_pr, & ! O2 0.0159994_pr, & ! O 0.01801528_pr, & ! H2O 0.01700734_pr, & ! OH 0.03300674_pr, & ! HO2 0.0280104_pr, & ! CO 0.0440098_pr, & ! CO2 0.01604276_pr, & ! CH4 0.01503482_pr, & ! CH3 0.03002628_pr, & ! CH2O 0.0290617_pr, & ! C2H5 0.02805376_pr, & ! C2H4 0.02603788_pr, & ! C2H2 0.04208064_pr, & ! C3H6 0.04006476_pr, & ! C3H4XA 0.05610752_pr, & ! C4H8X1 0.07114234_pr, & ! NC5H11 0.0701344_pr, & ! NC5H10 0.0991961_pr, & ! NC7H15 0.09818816_pr, & ! NC7H14 0.09818816_pr, & ! MCYC6 0.17033844_pr, & ! NC12H26 0.1061674_pr, & ! XYLENE 0.10515946_pr, & ! RXYLENE 0.07609776_pr, & ! C6H4 0.04308858_pr, & ! C3H7GL1G 0.03103422_pr & ! CH3OGL1G !0.01402688_pr, & ! CH2GSG !0.012011_pr, & ! C !0.01301894_pr, & ! CH !0.02901834_pr, & ! HCO !0.03006964_pr, & ! C2H6 !0.02704582_pr, & ! C2H3 !0.02502994_pr, & ! C2H !0.04304522_pr, & ! CH2CHO !0.04203728_pr, & ! CH2CO !0.04102934_pr, & ! HCCO !0.0410727_pr, & ! C3H5XA !0.03905682_pr, & ! C3H3 !0.03804888_pr, & ! C3H2 !0.05711546_pr, & ! PC4H9 !0.05610752_pr, & ! IC4H8 !0.05509958_pr, & ! C4H71X3 !0.05409164_pr, & ! C4H6 !0.09113258_pr, & ! CH3C6H4 !0.1693305_pr, & ! NC12H25 !0.10809656_pr, & ! C6H4O2 !0.07408188_pr, & ! C6H2 !0.07508982_pr & ! C6H3 /) contains ! ----------------------------------------------- ! ! 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) :: ntmp,ccoeff,dcoeff,lgknull real(pr) :: f real(pr) :: conc, concin if (concin.gt.0.0_pr) then conc = concin else conc = Ploc / ( Rcst * Tloc ) end if ntmp = 0.75_pr - 1.27_pr * log10( fc ) ccoeff = - 0.4_pr - 0.67_pr * log10( fc ) dcoeff = 0.14_pr k0 = abs(k0) * conc / max(abs(kinf), 1.0e-60_pr) + 1.0e-60_pr lgknull = log10(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 ! ----------------------------------------------- ! ! Evaluate thirdbodies ! ! ----------------------------------------------- ! subroutine get_thirdbodies(M,c) implicit none real(pr), dimension(nspec) :: c real(pr), dimension(nTB + nFO) :: M M(mM4) = sum(c) M(mM54) = (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (5_pr)*c(sH2O) & + sum(c) M(mM76) = (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (5_pr)*c(sH2O) & + sum(c) M(mM119) = sum(c) M(mM209) = sum(c) M(mM11) = (0.9_pr)*c(sCO) & + (2.8_pr)*c(sCO2) & + (9_pr)*c(sH2O) & + sum(c) M(mM12) = (0.75_pr)*c(sCO) & + (2.6_pr)*c(sCO2) & + (11_pr)*c(sH2O) & + sum(c) M(mM15) = (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (5_pr)*c(sH2O) & + sum(c) M(mM47) = (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (5_pr)*c(sH2O) & + sum(c) M(mM48) = (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (5_pr)*c(sH2O) & + sum(c) M(mM62) = (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (5_pr)*c(sH2O) & + sum(c) M(mM63) = (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (5_pr)*c(sH2O) & + sum(c) M(mM64) = (1_pr)*c(sCO) & + (2_pr)*c(sCO2) & + (4_pr)*c(sH2O) & + sum(c) M(mM65) = (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (5_pr)*c(sH2O) & + sum(c) M(mM70) = (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (5_pr)*c(sH2O) & + sum(c) M(mM84) = (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (5_pr)*c(sH2O) & + sum(c) M(mM111) = sum(c) M(mM112) = sum(c) M(mM126) = sum(c) M(mM177) = (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (5_pr)*c(sH2O) & + sum(c) M(mM243) = (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (5_pr)*c(sH2O) & + sum(c) end subroutine get_thirdbodies ! ----------------------------------------------- ! ! Evaluate rate coefficients ! ! ----------------------------------------------- ! subroutine get_rate_coefficients(k,M,Tloc,Ploc) implicit none real(pr), dimension(nreac + nreac_reverse) :: k real(pr), dimension(nFO + nFO_reverse) :: k_0 real(pr), dimension(nFO + nFO_reverse) :: k_inf real(pr), dimension(nFO + nFO_reverse) :: FC real(pr), dimension(nTB + nFO) :: M real(pr) :: Tloc,Ploc,R_T_inv,T_log ! Rate coefficients R_T_inv = 1.0_pr/(Rcst*Tloc) T_log = log(Tloc) k(r1f) = (0.0508_pr)*exp((-26325.728_pr)*R_T_inv + T_log *(2.67_pr)) k(r2f) = (43800000_pr)*exp((-29246.16_pr)*R_T_inv) k(r3f) = (114000000_pr)*exp((-63956.624_pr)*R_T_inv) k(r4f) = (35000000000_pr)*exp(T_log *(-2_pr)) k(r5f) = (67_pr)*exp((-62704.7712_pr)*R_T_inv + T_log *(1.704_pr)) k(r6f) = (70790000_pr)*exp((-1234.28_pr)*R_T_inv) k(r7f) = (11402_pr)*exp((-2317.01552_pr)*R_T_inv + T_log *(1.083_pr)) k(r8f) = (32500000_pr) k(r9f) = (7000000_pr)*exp((4572.94464_pr)*R_T_inv) k(r10f) = (450000000_pr)*exp((-45729.4464_pr)*R_T_inv) k_0(FOr11f) = (17400000_pr)*exp(T_log *(-1.23_pr)) k_inf(FOr11f) = (4650000_pr)*exp(T_log *(0.44_pr)) FC(FOr11f) = ((1.0_pr - 0.67_pr)*exp(-Tloc/(1e-30_pr))) + (0.67_pr*exp(-Tloc/(1e+30_pr)))& + exp(-(1e+30_pr)/Tloc) k(r11f) = getlindratecoeff(Tloc,k_0(FOr11f),k_inf(FOr11f),FC(FOr11f), M(mM11),Ploc) k_0(FOr12f) = (1170000000000_pr)*exp((-17535.144_pr)*R_T_inv + T_log *(-2.79_pr)) k_inf(FOr12f) = (13620_pr)*exp((-9974.656_pr)*R_T_inv) k(r12f) = getlindratecoeff(Tloc,k_0(FOr12f),k_inf(FOr12f),1.0_pr, M(mM12),Ploc) k(r13f) = (0.07015_pr)*exp((1488.2488_pr)*R_T_inv + T_log *(2.053_pr)) k(r14f) = (5757000_pr)*exp((-1388.2512_pr)*R_T_inv + T_log *(-0.664_pr)) k_0(FOr15f) = (2.48e+21_pr)*exp((-10208.96_pr)*R_T_inv + T_log *(-4.76_pr)) k_inf(FOr15f) = (12700000000_pr)*exp((-1602.472_pr)*R_T_inv + T_log *(-0.63_pr)) FC(FOr15f) = ((1.0_pr - 0.783_pr)*exp(-Tloc/(74_pr))) + (0.783_pr*exp(-Tloc/(2941_pr)))& + exp(-(6964_pr)/Tloc) k(r15f) = getlindratecoeff(Tloc,k_0(FOr15f),k_inf(FOr15f),FC(FOr15f), M(mM15),Ploc) k(r16f) = (0.614_pr)*exp((-40112.008_pr)*R_T_inv + T_log *(2.5_pr)) k(r17f) = (1020_pr)*exp((-35982.4_pr)*R_T_inv + T_log *(1.5_pr)) k(r18f) = (0.0583_pr)*exp((-9162.96_pr)*R_T_inv + T_log *(2.6_pr)) k(r19f) = (0.116_pr)*exp((12644.048_pr)*R_T_inv + T_log *(2.23_pr)) k(r20f) = (28000000_pr) k(r21f) = (12000000_pr) k(r22f) = (15000000_pr) k(r23f) = (70000000_pr) k(r24f) = (30000000_pr) k(r25f) = (30000000_pr) k(r26f) = (14000000_pr) k(r27f) = (33000000_pr) k(r28f) = (57000000_pr) k(r29f) = (110000000_pr) k(r30f) = (30000000_pr) k(r31f) = (50000000_pr) k(r32f) = (50000000_pr) k(r33f) = (7546000_pr)*exp((-118490.88_pr)*R_T_inv) k(r34f) = (2.641e-06_pr)*exp((-33911.32_pr)*R_T_inv + T_log *(3.283_pr)) k(r35f) = (55400000_pr)*exp((569.024_pr)*R_T_inv + T_log *(0.05_pr)) k(r36f) = (528200000000_pr)*exp((-7414.048_pr)*R_T_inv + T_log *(-1.518_pr)) k(r37f) = (46860_pr)*exp((-14920.144_pr)*R_T_inv + T_log *(0.833_pr)) k(r38f) = (1230_pr)*exp((-49998.8_pr)*R_T_inv + T_log *(1.011_pr)) k(r39f) = (1000000_pr)*exp((2876.5_pr)*R_T_inv + T_log *(0.269_pr)) k(r40f) = (1.748153e+20_pr)*exp((-59875.25752_pr)*R_T_inv + T_log *(-3.956088_pr)) k(r41f) = (2.790099e+19_pr)*exp((-80866.38552_pr)*R_T_inv + T_log *(-2.956088_pr)) k(r42f) = (2.083891e+19_pr)*exp((-59875.25752_pr)*R_T_inv + T_log *(-2.956088_pr)) k(r43f) = (2.778522e+18_pr)*exp((-59875.25752_pr)*R_T_inv + T_log *(-2.956088_pr)) k(r44f) = (6.750997e-22_pr)*exp((19370.158536_pr)*R_T_inv + T_log *(8.476756_pr)) k(r45f) = (30826470000_pr)*exp((-3646.0258824_pr)*R_T_inv + T_log *(-1.023244_pr)) k(r46f) = (18495880000_pr)*exp((-3646.0258824_pr)*R_T_inv + T_log *(-1.023244_pr)) k_0(FOr47f) = (1350000000000_pr)*exp((-5962.2_pr)*R_T_inv + T_log *(-2.57_pr)) k_inf(FOr47f) = (1090000_pr)*exp((1087.84_pr)*R_T_inv + T_log *(0.48_pr)) FC(FOr47f) = ((1.0_pr - 0.7824_pr)*exp(-Tloc/(271_pr))) + (0.7824_pr*exp(-Tloc/(2755_pr)))& + exp(-(6570_pr)/Tloc) k(r47f) = getlindratecoeff(Tloc,k_0(FOr47f),k_inf(FOr47f),FC(FOr47f), M(mM47),Ploc) k_0(FOr48f) = (5.07e+15_pr)*exp((-352912.032_pr)*R_T_inv + T_log *(-3.42_pr)) k_inf(FOr48f) = (43_pr)*exp((-333046.4_pr)*R_T_inv + T_log *(1.5_pr)) FC(FOr48f) = ((1.0_pr - 0.932_pr)*exp(-Tloc/(197_pr))) + (0.932_pr*exp(-Tloc/(1540_pr)))& + exp(-(10300_pr)/Tloc) k(r48f) = getlindratecoeff(Tloc,k_0(FOr48f),k_inf(FOr48f),FC(FOr48f), M(mM48),Ploc) k(r49f) = (8070000000_pr)*exp((-223509.28_pr)*R_T_inv) k(r50f) = (6260_pr)*exp((-9455.84_pr)*R_T_inv + T_log *(1.15_pr)) k(r51f) = (57.4_pr)*exp((-11464.16_pr)*R_T_inv + T_log *(1.9_pr)) k(r52f) = (78.2_pr)*exp((4414.12_pr)*R_T_inv + T_log *(1.63_pr)) k(r53f) = (3.83e-05_pr)*exp((-18041.408_pr)*R_T_inv + T_log *(3.36_pr)) k(r54f) = (570000_pr)*exp((-62216.08_pr)*R_T_inv + T_log *(0.66_pr)) k(r55f) = (7580000_pr)*exp((-1715.44_pr)*R_T_inv) k(r56f) = (30200000_pr) k(r57f) = (73400000_pr) k(r58f) = (30110000_pr) k(r59f) = (26500000_pr) k(r60f) = (30000000_pr) k(r61f) = (30000000_pr) k_0(FOr62f) = (1.27e+20_pr)*exp((-27321.52_pr)*R_T_inv + T_log *(-4.82_pr)) k_inf(FOr62f) = (540000_pr)*exp((-15062.4_pr)*R_T_inv + T_log *(0.454_pr)) FC(FOr62f) = ((1.0_pr - 0.7187_pr)*exp(-Tloc/(103_pr))) + (0.7187_pr*exp(-Tloc/(1291_pr)))& + exp(-(4160_pr)/Tloc) k(r62f) = getlindratecoeff(Tloc,k_0(FOr62f),k_inf(FOr62f),FC(FOr62f), M(mM62),Ploc) k_0(FOr63f) = (2.882275e+22_pr)*exp((-105346.50928_pr)*R_T_inv + T_log *(-4.023244_pr)) k_inf(FOr63f) = (1.0481e+17_pr)*exp((-113141.30128_pr)*R_T_inv + T_log *(-1.023244_pr)) FC(FOr63f) = ((1.0_pr - 0.9_pr)*exp(-Tloc/(2500_pr))) + (0.9_pr*exp(-Tloc/(1300_pr)))& + exp(-(1e+99_pr)/Tloc) k(r63f) = getlindratecoeff(Tloc,k_0(FOr63f),k_inf(FOr63f),FC(FOr63f), M(mM63),Ploc) k_0(FOr64f) = (8.05e+19_pr)*exp((-4107.0144_pr)*R_T_inv + T_log *(-3.75_pr)) k_inf(FOr64f) = (2277000000_pr)*exp((-731.7816_pr)*R_T_inv + T_log *(-0.69_pr)) FC(FOr64f) = ((1.0_pr - 0_pr)*exp(-Tloc/(570_pr))) + (0_pr*exp(-Tloc/(1e+30_pr)))& + exp(-(1e+30_pr)/Tloc) k(r64f) = getlindratecoeff(Tloc,k_0(FOr64f),k_inf(FOr64f),FC(FOr64f), M(mM64),Ploc) k_0(FOr65f) = (1.99e+29_pr)*exp((-27970.04_pr)*R_T_inv + T_log *(-7.08_pr)) k_inf(FOr65f) = (521000000000_pr)*exp((-6610.72_pr)*R_T_inv + T_log *(-0.99_pr)) FC(FOr65f) = ((1.0_pr - 0.842_pr)*exp(-Tloc/(125_pr))) + (0.842_pr*exp(-Tloc/(2219_pr)))& + exp(-(6882_pr)/Tloc) k(r65f) = getlindratecoeff(Tloc,k_0(FOr65f),k_inf(FOr65f),FC(FOr65f), M(mM65),Ploc) k(r66f) = (3.55_pr)*exp((-24392.72_pr)*R_T_inv + T_log *(2.4_pr)) k(r67f) = (115_pr)*exp((-31505.52_pr)*R_T_inv + T_log *(1.9_pr)) k(r68f) = (14.8_pr)*exp((-3974.8_pr)*R_T_inv + T_log *(1.9_pr)) k(r69f) = (5.55e-10_pr)*exp((-13518.504_pr)*R_T_inv + T_log *(4.72_pr)) k_0(FOr70f) = (1.42e+27_pr)*exp((-24137.496_pr)*R_T_inv + T_log *(-6.642_pr)) k_inf(FOr70f) = (956.9_pr)*exp((-5669.32_pr)*R_T_inv + T_log *(1.463_pr)) FC(FOr70f) = ((1.0_pr - -0.569_pr)*exp(-Tloc/(299_pr))) + (-0.569_pr*exp(-Tloc/(-9147_pr)))& + exp(-(152.4_pr)/Tloc) k(r70f) = getlindratecoeff(Tloc,k_0(FOr70f),k_inf(FOr70f),FC(FOr70f), M(mM70),Ploc) k(r71f) = (2000000_pr) k(r72f) = (482000000_pr)*exp((-299281.52_pr)*R_T_inv) k(r73f) = (0.0118_pr)*exp((12221.464_pr)*R_T_inv + T_log *(2.45_pr)) k(r74f) = (310000000_pr)*exp((-55950.54_pr)*R_T_inv + T_log *(-0.362_pr)) k(r75f) = (18.43_pr)*exp((3014.9904_pr)*R_T_inv + T_log *(1.13_pr)) k(r76f) = (26100000000_pr)*exp((-283771.432_pr)*R_T_inv) k(r77f) = (50.7_pr)*exp((-54182.8_pr)*R_T_inv + T_log *(1.93_pr)) k(r78f) = (0.0223_pr)*exp((-9269.652_pr)*R_T_inv + T_log *(2.745_pr)) k(r79f) = (0.000976_pr)*exp((-63379.232_pr)*R_T_inv + T_log *(2.947_pr)) k(r80f) = (8.13e-11_pr)*exp((-36968.9872_pr)*R_T_inv + T_log *(4.417_pr)) k(r81f) = (7.453_pr)*exp((-765.672_pr)*R_T_inv + T_log *(1.88_pr)) k(r82f) = (6.098_pr)*exp((-765.672_pr)*R_T_inv + T_log *(1.88_pr)) k(r83f) = (20000000_pr) k_0(FOr84f) = (6.35e+19_pr)*exp((-15815.52_pr)*R_T_inv + T_log *(-4.664_pr)) k_inf(FOr84f) = (17100_pr)*exp((-11334.456_pr)*R_T_inv + T_log *(1.266_pr)) FC(FOr84f) = ((1.0_pr - 0.788_pr)*exp(-Tloc/(-10200_pr))) + (0.788_pr*exp(-Tloc/(1e-30_pr))) k(r84f) = getlindratecoeff(Tloc,k_0(FOr84f),k_inf(FOr84f),FC(FOr84f), M(mM84),Ploc) k(r85f) = (710000000000000_pr)*exp((-27149.976_pr)*R_T_inv + T_log *(-2.65_pr)) k(r86f) = (20200_pr)*exp((-160.6656_pr)*R_T_inv + T_log *(0.58_pr)) k(r87f) = (21.5_pr)*exp((-14087.528_pr)*R_T_inv + T_log *(1.19_pr)) k(r88f) = (4.6e-05_pr)*exp((2061.8752_pr)*R_T_inv + T_log *(2.76_pr)) k(r89f) = (0.00106_pr)*exp((-25857.12_pr)*R_T_inv + T_log *(2.39_pr)) k(r90f) = (5.26e-07_pr)*exp((-7434.968_pr)*R_T_inv + T_log *(3.01_pr)) k(r91f) = (2.73e+29_pr)*exp((-49454.88_pr)*R_T_inv + T_log *(-7.32_pr)) k(r92f) = (6080000000_pr)*exp((-2701.6088_pr)*R_T_inv + T_log *(-1.31_pr)) k(r93f) = (6.36e+29_pr)*exp((-49454.88_pr)*R_T_inv + T_log *(-7.32_pr)) k(r94f) = (14200000000_pr)*exp((-2701.6088_pr)*R_T_inv + T_log *(-1.31_pr)) k(r95f) = (103000_pr)*exp((3128.7952_pr)*R_T_inv + T_log *(-0.33_pr)) k(r96f) = (5.77e+15_pr)*exp((-19966.048_pr)*R_T_inv + T_log *(-3.54_pr)) k(r97f) = (7.25e+25_pr)*exp((-43680.96_pr)*R_T_inv + T_log *(-6.7_pr)) k(r98f) = (53200000_pr)*exp((-1868.9928_pr)*R_T_inv + T_log *(-1.14_pr)) k(r99f) = (96353000_pr) k(r100f) = (30110000_pr) k(r101f) = (2958_pr)*exp((-10342.848_pr)*R_T_inv + T_log *(1.28_pr)) k(r102f) = (10_pr)*exp((-25104_pr)*R_T_inv + T_log *(2_pr)) k(r103f) = (20000000_pr) k(r104f) = (2.632_pr)*exp((-71379.04_pr)*R_T_inv + T_log *(2.14_pr)) k(r105f) = (7.528_pr)*exp((-8811.504_pr)*R_T_inv + T_log *(1.55_pr)) k(r106f) = (1277_pr)*exp((-10790.536_pr)*R_T_inv + T_log *(0.73_pr)) k(r107f) = (50000000_pr)*exp((-6276_pr)*R_T_inv) k(r108f) = (50000000_pr) k(r109f) = (0.49_pr)*exp((-2343.04_pr)*R_T_inv + T_log *(2.5_pr)) k(r110f) = (20000000_pr) k_0(FOr111f) = (6e+23_pr)*exp((-181685.5976_pr)*R_T_inv + T_log *(-3.8_pr)) k_inf(FOr111f) = (1.43e+15_pr)*exp((-190790.4_pr)*R_T_inv + T_log *(-0.15_pr)) FC(FOr111f) = ((1.0_pr - 0.985_pr)*exp(-Tloc/(393_pr))) + (0.985_pr*exp(-Tloc/(9800000000_pr)))& + exp(-(5000000000_pr)/Tloc) k(r111f) = getlindratecoeff(Tloc,k_0(FOr111f),k_inf(FOr111f),FC(FOr111f), M(mM111),Ploc) k_0(FOr112f) = (9.52e+27_pr)*exp((-172799.2_pr)*R_T_inv + T_log *(-5.07_pr)) k_inf(FOr112f) = (2930000000000_pr)*exp((-168615.2_pr)*R_T_inv + T_log *(0.29_pr)) FC(FOr112f) = ((1.0_pr - 7.13e-17_pr)*exp(-Tloc/(1150_pr))) + (7.13e-17_pr*exp(-Tloc/(4990000000_pr)))& + exp(-(1790000000_pr)/Tloc) k(r112f) = getlindratecoeff(Tloc,k_0(FOr112f),k_inf(FOr112f),FC(FOr112f), M(mM112),Ploc) k(r113f) = (30000000_pr) k(r114f) = (777_pr)*exp((-11631.52_pr)*R_T_inv + T_log *(1.45_pr)) k(r115f) = (94600000_pr)*exp((2154.76_pr)*R_T_inv) k(r116f) = (2000000_pr)*exp((4225.84_pr)*R_T_inv) k(r117f) = (100000000_pr) k(r118f) = (80000000_pr) k(r119f) = (75700000000_pr)*exp(T_log *(-1.9_pr)) k(r120f) = (100000000_pr) k(r121f) = (191000_pr)*exp((-4267.68_pr)*R_T_inv + T_log *(-0.02_pr)) k(r122f) = (4780000_pr)*exp((-4811.6_pr)*R_T_inv + T_log *(-0.142_pr)) k(r123f) = (2977004000_pr)*exp((-2643.1156432_pr)*R_T_inv + T_log *(-0.7513269_pr)) k(r124f) = (3587290000_pr)*exp((-2643.1156432_pr)*R_T_inv + T_log *(-0.7513269_pr)) k(r125f) = (55724_pr)*exp((4624.07312_pr)*R_T_inv + T_log *(0.557156_pr)) k_0(FOr126f) = (4.27e+46_pr)*exp((-40876.8432_pr)*R_T_inv + T_log *(-11.94_pr)) k_inf(FOr126f) = (25000000_pr) FC(FOr126f) = ((1.0_pr - 0.175_pr)*exp(-Tloc/(1341_pr))) + (0.175_pr*exp(-Tloc/(60000_pr)))& + exp(-(10140_pr)/Tloc) k(r126f) = getlindratecoeff(Tloc,k_0(FOr126f),k_inf(FOr126f),FC(FOr126f), M(mM126),Ploc) k(r127f) = (2.13e+52_pr)*exp((-85353.6_pr)*R_T_inv + T_log *(-13.5_pr)) k(r128f) = (1.3e+34_pr)*exp((-24534.1392_pr)*R_T_inv + T_log *(-8.77_pr)) k(r129f) = (4.44e+29_pr)*exp((-58157.6_pr)*R_T_inv + T_log *(-6.55_pr)) k(r130f) = (389000000_pr)*exp((-5178.1184_pr)*R_T_inv + T_log *(-0.42_pr)) k(r131f) = (4.16e+18_pr)*exp((-40835.84_pr)*R_T_inv + T_log *(-3.19_pr)) k(r132f) = (4920_pr)*exp((-2509.43768_pr)*R_T_inv + T_log *(1.02_pr)) k(r133f) = (5.3e+23_pr)*exp((-60249.6_pr)*R_T_inv + T_log *(-4.57_pr)) k(r134f) = (44800_pr)*exp((-5947.9744_pr)*R_T_inv + T_log *(0.6_pr)) k(r135f) = (5.8e+75_pr)*exp((-560656_pr)*R_T_inv + T_log *(-17.2_pr)) k(r136f) = (6.7e+54_pr)*exp((-476306.56_pr)*R_T_inv + T_log *(-11.8_pr)) k(r137f) = (1.08e+71_pr)*exp((-522414.24_pr)*R_T_inv + T_log *(-15.9_pr)) k(r138f) = (6.28e+42_pr)*exp((-410048.736_pr)*R_T_inv + T_log *(-8.51_pr)) k(r139f) = (0.3644_pr)*exp((-18247.2608_pr)*R_T_inv + T_log *(2.455_pr)) k(r140f) = (120000000000000_pr)*exp((-193267.7464_pr)*R_T_inv + T_log *(-1.67_pr)) k(r141f) = (524000_pr)*exp((-24618.656_pr)*R_T_inv + T_log *(0.7_pr)) k(r142f) = (4.46_pr)*exp((-4396.5472_pr)*R_T_inv + T_log *(2.072_pr)) k(r143f) = (2.21e-06_pr)*exp((-23744.2_pr)*R_T_inv + T_log *(3.5_pr)) k(r144f) = (7.45_pr)*exp((-765.672_pr)*R_T_inv + T_log *(1.88_pr)) k(r145f) = (3.05_pr)*exp((-765.672_pr)*R_T_inv + T_log *(1.88_pr)) k(r146f) = (1.04e+43_pr)*exp((-64262.056_pr)*R_T_inv + T_log *(-11.5_pr)) k(r147f) = (3.78e+22_pr)*exp((-23535.4184_pr)*R_T_inv + T_log *(-5.57_pr)) k(r148f) = (2670000_pr)*exp((-22723.7224_pr)*R_T_inv + T_log *(0.47_pr)) k(r149f) = (1e-16_pr) k(r150f) = (3.26e+55_pr)*exp((-84353.624_pr)*R_T_inv + T_log *(-14.94_pr)) k(r151f) = (1.06e+24_pr)*exp((-23486.4656_pr)*R_T_inv + T_log *(-5.63_pr)) k(r152f) = (7.67e+41_pr)*exp((-93579.344_pr)*R_T_inv + T_log *(-11.17_pr)) k(r153f) = (2.6e+27_pr)*exp((-51948.544_pr)*R_T_inv + T_log *(-7.46_pr)) k(r154f) = (131000000000000_pr)*exp((-79822.352_pr)*R_T_inv + T_log *(-2.58_pr)) k(r155f) = (0.001232_pr)*exp((-10803.088_pr)*R_T_inv + T_log *(3.035_pr)) k(r156f) = (6000000_pr) k(r157f) = (3000000_pr)*exp((548.104_pr)*R_T_inv + T_log *(-0.32_pr)) k(r158f) = (0.006625_pr)*exp((-23104.048_pr)*R_T_inv + T_log *(3.095_pr)) k(r159f) = (20_pr)*exp((-20920_pr)*R_T_inv + T_log *(2_pr)) k(r160f) = (1300000_pr)*exp((-32216.8_pr)*R_T_inv) k(r161f) = (4.67e+45_pr)*exp((-89286.56_pr)*R_T_inv + T_log *(-11.45_pr)) k(r162f) = (3.32e+24_pr)*exp((-28923.992_pr)*R_T_inv + T_log *(-5.78_pr)) k(r163f) = (126000000000000_pr)*exp((-62772.552_pr)*R_T_inv + T_log *(-1.83_pr)) k(r164f) = (0.0123_pr)*exp((-26505.64_pr)*R_T_inv + T_log *(2.68_pr)) k(r165f) = (20_pr)*exp((-4184_pr)*R_T_inv + T_log *(1.8_pr)) k(r166f) = (3e-09_pr)*exp((17752.712_pr)*R_T_inv + T_log *(4.61_pr)) k(r167f) = (20000000_pr) k(r168f) = (800000_pr) k(r169f) = (0.214_pr)*exp((-31183.352_pr)*R_T_inv + T_log *(2.52_pr)) k(r170f) = (20000000_pr)*exp((-33472_pr)*R_T_inv) k(r171f) = (2000000_pr) k(r172f) = (10000000_pr) k(r173f) = (3980.286_pr)*exp((-12111.92688_pr)*R_T_inv + T_log *(0.557156_pr)) k(r174f) = (500000_pr)*exp((-12552_pr)*R_T_inv) k(r175f) = (890000_pr)*exp((-22723.7224_pr)*R_T_inv + T_log *(0.47_pr)) k(r176f) = (1.34_pr)*exp((-22723.7224_pr)*R_T_inv + T_log *(0.47_pr)) k_0(FOr177f) = (3.91e+48_pr)*exp((-26150_pr)*R_T_inv + T_log *(-12.81_pr)) k_inf(FOr177f) = (600000000_pr)*exp((1097.4632_pr)*R_T_inv + T_log *(-0.32_pr)) FC(FOr177f) = ((1.0_pr - 0.104_pr)*exp(-Tloc/(1606_pr))) + (0.104_pr*exp(-Tloc/(60000_pr)))& + exp(-(6118_pr)/Tloc) k(r177f) = getlindratecoeff(Tloc,k_0(FOr177f),k_inf(FOr177f),FC(FOr177f), M(mM177),Ploc) k(r178f) = (50000000_pr)*exp((-20920_pr)*R_T_inv) k(r179f) = (0.7769_pr)*exp((1829.16112_pr)*R_T_inv + T_log *(2.2_pr)) k(r180f) = (175000_pr)*exp((-24618.656_pr)*R_T_inv + T_log *(0.7_pr)) k(r181f) = (100000000_pr)*exp((-155602.96_pr)*R_T_inv) k(r182f) = (85300000_pr)*exp((-198698.62024_pr)*R_T_inv + T_log *(1.95_pr)) k(r183f) = (94700000000_pr)*exp((-56119.992_pr)*R_T_inv + T_log *(-1.03_pr)) k(r184f) = (6020000000_pr)*exp((-35363.168_pr)*R_T_inv + T_log *(-0.49_pr)) k(r185f) = (45700000000000_pr)*exp((-37911.224_pr)*R_T_inv + T_log *(-1.54_pr)) k(r186f) = (12100000000_pr)*exp((-55124.2_pr)*R_T_inv + T_log *(-0.99_pr)) k(r187f) = (1.9e+25_pr)*exp((-50074.112_pr)*R_T_inv + T_log *(-6.46_pr)) k(r188f) = (3.78e+26_pr)*exp((-30396.76_pr)*R_T_inv + T_log *(-6.63_pr)) k(r189f) = (7.47e+43_pr)*exp((-162012.848_pr)*R_T_inv + T_log *(-9.67_pr)) k(r190f) = (2.05e+42_pr)*exp((-194200.36_pr)*R_T_inv + T_log *(-9.61_pr)) k(r191f) = (7.45_pr)*exp((-765.672_pr)*R_T_inv + T_log *(1.88_pr)) k(r192f) = (3.05_pr)*exp((-765.672_pr)*R_T_inv + T_log *(1.88_pr)) k(r193f) = (30000000000000_pr)*exp((-292880_pr)*R_T_inv) k(r194f) = (6.48e+26_pr)*exp((-110783.952_pr)*R_T_inv + T_log *(-4.91_pr)) k(r195f) = (1370000_pr)*exp((4351.36_pr)*R_T_inv) k(r196f) = (72600_pr)*exp((-7656.72_pr)*R_T_inv + T_log *(0.819_pr)) k(r197f) = (1000000000_pr)*exp((-171544_pr)*R_T_inv) k(r198f) = (10000000_pr)*exp((-62760_pr)*R_T_inv) k(r199f) = (20000000_pr)*exp((-9623.2_pr)*R_T_inv) k(r200f) = (10000000_pr) k(r201f) = (100000000_pr)*exp((-154808_pr)*R_T_inv) k(r202f) = (300000000_pr)*exp((-167360_pr)*R_T_inv) k(r203f) = (500000_pr)*exp((-12552_pr)*R_T_inv) k(r204f) = (150000000000000_pr)*exp((-428441.6_pr)*R_T_inv) k(r205f) = (150000_pr)*exp((-135143.2_pr)*R_T_inv) k(r206f) = (10000000_pr) k(r207f) = (240000_pr)*exp((3573.136_pr)*R_T_inv) k(r208f) = (23000000_pr) k(r209f) = (10000_pr) k(r210f) = (4500000000_pr)*exp((-104600_pr)*R_T_inv) k(r211f) = (40_pr)*exp((-12552_pr)*R_T_inv + T_log *(2_pr)) k(r212f) = (100000000_pr)*exp((-100416_pr)*R_T_inv) k(r213f) = (5000000_pr) k(r214f) = (30000000_pr) k(r215f) = (50000000_pr) k(r216f) = (30000000_pr) k(r217f) = (50000000_pr) k(r218f) = (43000000_pr) k(r219f) = (500000000_pr)*exp((-133888_pr)*R_T_inv) k(r220f) = (84000000_pr) k(r221f) = (5000000_pr)*exp((-12552_pr)*R_T_inv) k(r222f) = (5e+16_pr)*exp((-376560_pr)*R_T_inv) k(r223f) = (10000000000000_pr)*exp((-405848_pr)*R_T_inv) k(r224f) = (30000000000000_pr)*exp((-328444_pr)*R_T_inv) k(r225f) = (18000000000000_pr)*exp((-326352_pr)*R_T_inv) k(r226f) = (50000_pr)*exp((-112968_pr)*R_T_inv) k(r227f) = (10000_pr)*exp((-167360_pr)*R_T_inv) k(r228f) = (3.16e+23_pr)*exp((-19710.824_pr)*R_T_inv + T_log *(-5_pr)) k(r229f) = (1500000_pr) k(r230f) = (20000000_pr)*exp((-20920_pr)*R_T_inv) k(r231f) = (5000000_pr)*exp((-62760_pr)*R_T_inv) k(r232f) = (770661700_pr)*exp((-30842.025464_pr)*R_T_inv + T_log *(-1.023244_pr)) k(r233f) = (100000000_pr)*exp((-200832_pr)*R_T_inv) k(r234f) = (100000000_pr)*exp((-179912_pr)*R_T_inv) k(r235f) = (400000000_pr)*exp((-167360_pr)*R_T_inv) k(r236f) = (60000_pr) k(r237f) = (25000000_pr) k(r238f) = (32500000_pr) k(r239f) = (50000000_pr) k(r240f) = (3000000_pr) k(r241f) = (10000000_pr) k(r242f) = (500000_pr) k_0(FOr243f) = (1.33e+48_pr)*exp((-24969.2752_pr)*R_T_inv + T_log *(-12_pr)) k_inf(FOr243f) = (100000000_pr) FC(FOr243f) = ((1.0_pr - 0.02_pr)*exp(-Tloc/(1097_pr))) + (0.02_pr*exp(-Tloc/(10970_pr)))& + exp(-(6860_pr)/Tloc) k(r243f) = getlindratecoeff(Tloc,k_0(FOr243f),k_inf(FOr243f),FC(FOr243f), M(mM243),Ploc) k(r244f) = (0.5992_pr)*exp((-32241.40192_pr)*R_T_inv + T_log *(2_pr)) k(r245f) = (4.7_pr)*exp((-33712.70552_pr)*R_T_inv + T_log *(2_pr)) k(r246f) = (18.8_pr)*exp((-33712.70552_pr)*R_T_inv + T_log *(2_pr)) k(r247f) = (141_pr)*exp((-33712.70552_pr)*R_T_inv + T_log *(2_pr)) k(r248f) = (0.428_pr)*exp((-54215.6444_pr)*R_T_inv + T_log *(2_pr)) k(r249f) = (24_pr)*exp((-39563.40192_pr)*R_T_inv + T_log *(2_pr)) k(r250f) = (18.8_pr)*exp((-33712.70552_pr)*R_T_inv + T_log *(2_pr)) k(r251f) = (12000_pr)*exp((-9656.0444_pr)*R_T_inv + T_log *(1_pr)) k(r252f) = (18_pr)*exp((-18367.25792_pr)*R_T_inv + T_log *(2_pr)) k(r253f) = (0.18_pr)*exp((-23592.90656_pr)*R_T_inv + T_log *(2_pr)) k(r254f) = (33000000000000_pr)*exp((-125520_pr)*R_T_inv) k(r255f) = (2e+16_pr)*exp((-311708_pr)*R_T_inv) k(r256f) = (5e+16_pr)*exp((-334720_pr)*R_T_inv) k(r257f) = (1e+17_pr)*exp((-414216_pr)*R_T_inv) k(r258f) = (20000000_pr)*exp((-10460_pr)*R_T_inv) k(r259f) = (750000_pr)*exp((-12552_pr)*R_T_inv) k(r260f) = (300000_pr)*exp((-31798.4_pr)*R_T_inv) k(r261f) = (15000000000000_pr)*exp((-209200_pr)*R_T_inv) k(r262f) = (3e+15_pr)*exp((-305432_pr)*R_T_inv) k(r263f) = (25000000_pr)*exp((-10460_pr)*R_T_inv) k(r264f) = (6200000000000_pr)*exp((-125520_pr)*R_T_inv) k(r265f) = (14200000000000_pr)*exp((-125520_pr)*R_T_inv) k(r266f) = (7500000000000_pr)*exp((-125520_pr)*R_T_inv) k(r267f) = (5600000000000_pr)*exp((-125520_pr)*R_T_inv) k(r268f) = (750000_pr)*exp((-12552_pr)*R_T_inv) k(r269f) = (2e+17_pr)*exp((-340996_pr)*R_T_inv) k(r270f) = (2e+17_pr)*exp((-340996_pr)*R_T_inv) k(r271f) = (7000000000000_pr)*exp((-125520_pr)*R_T_inv) k(r272f) = (6e+16_pr)*exp((-343088_pr)*R_T_inv) k(r273f) = (66_pr)*exp((-16736_pr)*R_T_inv + T_log *(2_pr)) k(r274f) = (0.66_pr)*exp((-20920_pr)*R_T_inv + T_log *(2_pr)) k(r275f) = (0.44_pr)*exp((-28032.8_pr)*R_T_inv + T_log *(2_pr)) k(r276f) = (51.7_pr)*exp((-10460_pr)*R_T_inv + T_log *(2_pr)) k(r277f) = (33000_pr)*exp((-209.2_pr)*R_T_inv + T_log *(1_pr)) k(r278f) = (30000000_pr)*exp((-37656_pr)*R_T_inv) k(r279f) = (9e+15_pr)*exp((-373212.8_pr)*R_T_inv) k(r280f) = (5e+16_pr)*exp((-410032_pr)*R_T_inv) k(r281f) = (3500000000000_pr)*exp((-280328_pr)*R_T_inv) k(r282f) = (300000000_pr)*exp((-173217.6_pr)*R_T_inv) k(r283f) = (80000000_pr) k(r284f) = (10000000_pr)*exp((-3347.2_pr)*R_T_inv) k(r285f) = (200000000_pr)*exp((-33158.2_pr)*R_T_inv) k(r286f) = (3500000_pr)*exp((-37011.664_pr)*R_T_inv) k(r287f) = (105_pr)*exp((-40608.0212_pr)*R_T_inv + T_log *(2_pr)) k(r288f) = (82.25_pr)*exp((-32730.21864_pr)*R_T_inv + T_log *(2_pr)) k(r289f) = (52500_pr)*exp((-15356.91176_pr)*R_T_inv + T_log *(1_pr)) k(r290f) = (14.1_pr)*exp((-10460_pr)*R_T_inv + T_log *(2_pr)) k(r291f) = (9000_pr)*exp((-209.2_pr)*R_T_inv + T_log *(1_pr)) k(r292f) = (24_pr)*exp((-41661.17584_pr)*R_T_inv + T_log *(2_pr)) k(r293f) = (0.24_pr)*exp((-46846.28152_pr)*R_T_inv + T_log *(2_pr)) k(r294f) = (18.8_pr)*exp((-33712.70552_pr)*R_T_inv + T_log *(2_pr)) k(r295f) = (12000_pr)*exp((-16025.18024_pr)*R_T_inv + T_log *(1_pr)) k(r296f) = (10000000_pr) k(r297f) = (20000000_pr)*exp((-8368_pr)*R_T_inv) k(r298f) = (20000000_pr) k(r299f) = (8e+41_pr)*exp((-386184.4552_pr)*R_T_inv + T_log *(-7.72_pr)) k(r1b) = (0.0268129029403624_pr)*exp((-20179.4297825483_pr)*R_T_inv + T_log *(2.64882387264703_pr)) k(r2b) = (263852480.078656_pr)*exp((-91402.373774584_pr)*R_T_inv + T_log *(-0.0340885339627433_pr)) k(r3b) = (429670.379594403_pr)*exp((6199.28064592326_pr)*R_T_inv + T_log *(0.356901376979637_pr)) k(r4b) = (6.18795839188417e+16_pr)*exp((-495233.816211789_pr)*R_T_inv + T_log *(-1.71856504739512_pr)) k(r5b) = (5.87040173040135_pr)*exp((5597.74084727525_pr)*R_T_inv + T_log *(1.71691241680828_pr)) k(r6b) = (23424.6009703829_pr)*exp((-153515.797688805_pr)*R_T_inv + T_log *(0.707432523333424_pr)) k(r7b) = (1896.57731721457_pr)*exp((-230900.735925698_pr)*R_T_inv + T_log *(1.45470729924729_pr)) k(r8b) = (2853336.52728247_pr)*exp((-222437.422182926_pr)*R_T_inv + T_log *(0.350531173217592_pr)) k(r9b) = (7014143.90077887_pr)*exp((-286166.989619544_pr)*R_T_inv + T_log *(0.337618751665871_pr)) k(r10b) = (450909260.220286_pr)*exp((-336469.380674873_pr)*R_T_inv + T_log *(0.337618748943688_pr)) k_0(FOr11b) = (30700972370147.8_pr)*exp((-204493.882244309_pr)*R_T_inv + T_log *(-1.28618385094318_pr)) k_inf(FOr11b) = (8204574028887.95_pr)*exp((-204493.882584986_pr)*R_T_inv + T_log *(0.38381608850913_pr)) FC(FOr11b) = ((1.0_pr - 0.67_pr)*exp(-Tloc/(1e-30_pr))) + (0.67_pr*exp(-Tloc/(1e+30_pr)))& + exp(-(1e+30_pr)/Tloc) k(r11b) = getlindratecoeff(Tloc,k_0(FOr11b),k_inf(FOr11b),FC(FOr11b), M(mM11),Ploc) k_0(FOr12b) = (3.19430897701631e+23_pr)*exp((-550862.023779962_pr)*R_T_inv + T_log *(-3.6334808801934_pr)) k_inf(FOr12b) = (3.71850359324353e+15_pr)*exp((-543301.535832069_pr)*R_T_inv + T_log *(-0.843480891667238_pr)) k(r12b) = getlindratecoeff(Tloc,k_0(FOr12b),k_inf(FOr12b),1.0_pr, M(mM12),Ploc) k(r13b) = (123636.34687153_pr)*exp((-104907.326460582_pr)*R_T_inv + T_log *(0.915171813487644_pr)) k(r14b) = (10146464885231.1_pr)*exp((-107783.826525542_pr)*R_T_inv + T_log *(-1.80182819793542_pr)) k_0(FOr15b) = (3.59990625553942e+29_pr)*exp((-449920.623420126_pr)*R_T_inv + T_log *(-4.82231413752677_pr)) k_inf(FOr15b) = (1.8435016821669e+18_pr)*exp((-441314.135938985_pr)*R_T_inv + T_log *(-0.692314229086955_pr)) FC(FOr15b) = ((1.0_pr - 0.783_pr)*exp(-Tloc/(74_pr))) + (0.783_pr*exp(-Tloc/(2941_pr)))& + exp(-(6964_pr)/Tloc) k(r15b) = getlindratecoeff(Tloc,k_0(FOr15b),k_inf(FOr15b),FC(FOr15b), M(mM15),Ploc) k(r16b) = (0.00124142696918088_pr)*exp((-33477.947090756_pr)*R_T_inv + T_log *(2.87783761053375_pr)) k(r17b) = (1.08851158389288_pr)*exp((-23202.0407986011_pr)*R_T_inv + T_log *(1.85666149666985_pr)) k(r18b) = (0.000710081937148875_pr)*exp((-64685.1129264835_pr)*R_T_inv + T_log *(2.94374906596294_pr)) k(r19b) = (9.5432096903234_pr)*exp((-222573.732919075_pr)*R_T_inv + T_log *(2.22386975833987_pr)) k(r21b) = (1270216.89053744_pr)*exp((-779608.576000708_pr)*R_T_inv + T_log *(0.454685074503371_pr)) k(r22b) = (1385624408.80059_pr)*exp((-419815.061856149_pr)*R_T_inv + T_log *(-0.448436760896511_pr)) k(r23b) = (8760108593.3295_pr)*exp((-66235.5568674786_pr)*R_T_inv + T_log *(-0.468831397240223_pr)) k(r24b) = (3152434.74340982_pr)*exp((-49619.7435218313_pr)*R_T_inv + T_log *(0.125842973687665_pr)) k(r25b) = (374194096739.595_pr)*exp((-360669.558070503_pr)*R_T_inv + T_log *(-0.61019935212036_pr)) k(r26b) = (99079.8089726466_pr)*exp((-254273.98270274_pr)*R_T_inv + T_log *(0.527628853275118_pr)) k(r27b) = (207154226.500145_pr)*exp((-306185.711909152_pr)*R_T_inv + T_log *(-0.196202231109455_pr)) k(r28b) = (2528892456.54246_pr)*exp((-737988.526373036_pr)*R_T_inv + T_log *(0.00602886847750745_pr)) k(r29b) = (67045877.5837278_pr)*exp((-96656.1895655514_pr)*R_T_inv + T_log *(0.216970965787716_pr)) k(r30b) = (49965535757.7106_pr)*exp((-376341.61655533_pr)*R_T_inv + T_log *(-0.553103607791924_pr)) k(r31b) = (6895479740.83836_pr)*exp((-647478.631748186_pr)*R_T_inv + T_log *(-0.189765535300081_pr)) k(r32b) = (25989323.1776926_pr)*exp((-577322.726965569_pr)*R_T_inv + T_log *(0.167135866029724_pr)) k(r33b) = (6961336006.28299_pr)*exp((1655.82687961674_pr)*R_T_inv + T_log *(-0.883569308306098_pr)) k(r34b) = (5.23652726524477e-07_pr)*exp((-252043.118425912_pr)*R_T_inv + T_log *(3.47735727893644_pr)) k(r35b) = (2914434523.32136_pr)*exp((-287718.679298099_pr)*R_T_inv + T_log *(-0.11254413818072_pr)) k(r36b) = (25425769040.612_pr)*exp((-3334.70504343934_pr)*R_T_inv + T_log *(-1.08325716074972_pr)) k(r37b) = (11469580043.702_pr)*exp((35070.6582347223_pr)*R_T_inv + T_log *(-0.407470685611045_pr)) k(r38b) = (301060837.270709_pr)*exp((-8.00480760267449_pr)*R_T_inv + T_log *(-0.229471842742295_pr)) k(r39b) = (80992620.7906003_pr)*exp((-99414.2153378651_pr)*R_T_inv + T_log *(-0.264038141534537_pr)) k(r40b) = (4.27965711833033e+17_pr)*exp((-175716.340641669_pr)*R_T_inv + T_log *(-3.22869258539565_pr)) k(r41b) = (6.83044726674425e+16_pr)*exp((-196707.468631521_pr)*R_T_inv + T_log *(-2.22869258359682_pr)) k(r42b) = (6.04777322308734e+17_pr)*exp((-339008.25889854_pr)*R_T_inv + T_log *(-2.03992397871048_pr)) k(r43b) = (6.81584973753795e+15_pr)*exp((-466456.274902341_pr)*R_T_inv + T_log *(-1.89107383393477_pr)) k(r44b) = (1.652713009091e-24_pr)*exp((-96470.9245775779_pr)*R_T_inv + T_log *(9.20415141602497_pr)) k(r45b) = (12552850.2370813_pr)*exp((-348070.828571656_pr)*R_T_inv + T_log *(0.0758588630875729_pr)) k(r46b) = (3725131228.35228_pr)*exp((-354704.89087876_pr)*R_T_inv + T_log *(-0.30197899571234_pr)) k_0(FOr47b) = (2.82375908349845e+19_pr)*exp((-373748.000546267_pr)*R_T_inv + T_log *(-2.43741525217309_pr)) k_inf(FOr47b) = (22799231017975.2_pr)*exp((-366697.960257727_pr)*R_T_inv + T_log *(0.612584799006393_pr)) FC(FOr47b) = ((1.0_pr - 0.7824_pr)*exp(-Tloc/(271_pr))) + (0.7824_pr*exp(-Tloc/(2755_pr)))& + exp(-(6570_pr)/Tloc) k(r47b) = getlindratecoeff(Tloc,k_0(FOr47b),k_inf(FOr47b),FC(FOr47b), M(mM47),Ploc) k_0(FOr48b) = (2.10124785354413e+24_pr)*exp((-352904.627843285_pr)*R_T_inv + T_log *(-3.8677243008555_pr)) k_inf(FOr48b) = (17821243933.4191_pr)*exp((-333038.996238414_pr)*R_T_inv + T_log *(1.05227562859686_pr)) FC(FOr48b) = ((1.0_pr - 0.932_pr)*exp(-Tloc/(197_pr))) + (0.932_pr*exp(-Tloc/(1540_pr)))& + exp(-(10300_pr)/Tloc) k(r48b) = getlindratecoeff(Tloc,k_0(FOr48b),k_inf(FOr48b),FC(FOr48b), M(mM48),Ploc) k(r49b) = (680742045.627598_pr)*exp((-60217.3617499433_pr)*R_T_inv + T_log *(-0.188768607906515_pr)) k(r50b) = (46.361024477705_pr)*exp((-68601.3439589649_pr)*R_T_inv + T_log *(1.31176256072233_pr)) k(r51b) = (0.805398908288084_pr)*exp((-76755.9631592989_pr)*R_T_inv + T_log *(2.0829385161233_pr)) k(r52b) = (6.60986271164836_pr)*exp((-123033.89603293_pr)*R_T_inv + T_log *(1.77885013958956_pr)) k(r53b) = (0.000265793608311993_pr)*exp((-89967.2710793188_pr)*R_T_inv + T_log *(3.16510107858358_pr)) k(r54b) = (0.0980182640391553_pr)*exp((3068.31794457726_pr)*R_T_inv + T_log *(0.924785600462248_pr)) k(r55b) = (2299874.8398415_pr)*exp((-140924.924232625_pr)*R_T_inv + T_log *(0.208601760386022_pr)) k(r56b) = (804473.375064963_pr)*exp((-361646.906585302_pr)*R_T_inv + T_log *(0.559132903465326_pr)) k(r57b) = (3704423.04102974_pr)*exp((-367793.204645911_pr)*R_T_inv + T_log *(0.580309058242404_pr)) k(r58b) = (9154241.78647761_pr)*exp((-429949.418485403_pr)*R_T_inv + T_log *(0.546220513411562_pr)) k(r59b) = (661481550.239664_pr)*exp((-374427.265808946_pr)*R_T_inv + T_log *(0.202471403034689_pr)) k(r60b) = (1408459640221.88_pr)*exp((-468042.48172966_pr)*R_T_inv + T_log *(-0.578695262242549_pr)) k_0(FOr62b) = (9.15328650508667e+28_pr)*exp((-115974.319102743_pr)*R_T_inv + T_log *(-5.60357926202971_pr)) k_inf(FOr62b) = (389194906474016_pr)*exp((-103715.199191637_pr)*R_T_inv + T_log *(-0.329579277764237_pr)) FC(FOr62b) = ((1.0_pr - 0.7187_pr)*exp(-Tloc/(103_pr))) + (0.7187_pr*exp(-Tloc/(1291_pr)))& + exp(-(4160_pr)/Tloc) k(r62b) = getlindratecoeff(Tloc,k_0(FOr62b),k_inf(FOr62b),FC(FOr62b), M(mM62),Ploc) k_0(FOr63b) = (39990985284205.8_pr)*exp((-16693.7102193355_pr)*R_T_inv + T_log *(-3.23966474538264_pr)) k_inf(FOr63b) = (145421665.91117_pr)*exp((-24488.5017223046_pr)*R_T_inv + T_log *(-0.239664657246083_pr)) FC(FOr63b) = ((1.0_pr - 0.9_pr)*exp(-Tloc/(2500_pr))) + (0.9_pr*exp(-Tloc/(1300_pr)))& + exp(-(1e+99_pr)/Tloc) k(r63b) = getlindratecoeff(Tloc,k_0(FOr63b),k_inf(FOr63b),FC(FOr63b), M(mM63),Ploc) k_0(FOr64b) = (1.11122994035928e+33_pr)*exp((-385100.130476506_pr)*R_T_inv + T_log *(-4.82877936903999_pr)) k_inf(FOr64b) = (3.14319273254493e+22_pr)*exp((-381724.897555845_pr)*R_T_inv + T_log *(-1.76877934718937_pr)) FC(FOr64b) = ((1.0_pr - 0_pr)*exp(-Tloc/(570_pr))) + (0_pr*exp(-Tloc/(1e+30_pr)))& + exp(-(1e+30_pr)/Tloc) k(r64b) = getlindratecoeff(Tloc,k_0(FOr64b),k_inf(FOr64b),FC(FOr64b), M(mM64),Ploc) k_0(FOr65b) = (5.2606428295947e+37_pr)*exp((-449086.440695934_pr)*R_T_inv + T_log *(-7.17039886906336_pr)) k_inf(FOr65b) = (1.37728285717537e+20_pr)*exp((-427727.12015731_pr)*R_T_inv + T_log *(-1.08039877290414_pr)) FC(FOr65b) = ((1.0_pr - 0.842_pr)*exp(-Tloc/(125_pr))) + (0.842_pr*exp(-Tloc/(2219_pr)))& + exp(-(6882_pr)/Tloc) k(r65b) = getlindratecoeff(Tloc,k_0(FOr65b),k_inf(FOr65b),FC(FOr65b), M(mM65),Ploc) k(r66b) = (0.00208024780819988_pr)*exp((-30207.623634129_pr)*R_T_inv + T_log *(2.78474620853629_pr)) k(r67b) = (0.127674586876908_pr)*exp((-43466.7218952939_pr)*R_T_inv + T_log *(2.30592232858602_pr)) k(r68b) = (0.098981832079603_pr)*exp((-78092.2158070725_pr)*R_T_inv + T_log *(2.27183377025277_pr)) k(r69b) = (3.04752173679199e-10_pr)*exp((-32113.7668251083_pr)*R_T_inv + T_log *(4.74808471423039_pr)) k_0(FOr70b) = (3.03267966072149e+33_pr)*exp((-173619.466041132_pr)*R_T_inv + T_log *(-6.73052244614897_pr)) k_inf(FOr70b) = (2043641617.38904_pr)*exp((-155151.290023827_pr)*R_T_inv + T_log *(1.37447755703036_pr)) FC(FOr70b) = ((1.0_pr - -0.569_pr)*exp(-Tloc/(299_pr))) + (-0.569_pr*exp(-Tloc/(-9147_pr)))& + exp(-(152.4_pr)/Tloc) k(r70b) = getlindratecoeff(Tloc,k_0(FOr70b),k_inf(FOr70b),FC(FOr70b), M(mM70),Ploc) k(r71b) = (274842.617445685_pr)*exp((-283595.632402513_pr)*R_T_inv + T_log *(0.404045931465239_pr)) k(r72b) = (2428301.57126709_pr)*exp((13165.1797801299_pr)*R_T_inv + T_log *(0.0530302662973813_pr)) k(r73b) = (0.802020394155749_pr)*exp((-278008.232932387_pr)*R_T_inv + T_log *(2.47620768618998_pr)) k(r74b) = (16187656252003.6_pr)*exp((-15827.2553229533_pr)*R_T_inv + T_log *(-1.35038048974734_pr)) k(r75b) = (15.2261465843333_pr)*exp((-51996.9217742107_pr)*R_T_inv + T_log *(1.16233860028736_pr)) k(r76b) = (702.553691922173_pr)*exp((-107174.058940903_pr)*R_T_inv + T_log *(0.00629273819590486_pr)) k(r77b) = (0.0351008922933823_pr)*exp((-25331.7335218296_pr)*R_T_inv + T_log *(2.38707603798273_pr)) k(r78b) = (9.30041137138455e-05_pr)*exp((-42574.7993431552_pr)*R_T_inv + T_log *(3.16798749568519_pr)) k(r79b) = (0.000334200572908906_pr)*exp((-41162.2263963521_pr)*R_T_inv + T_log *(3.02623843347463_pr)) k(r80b) = (2.78386337846254e-11_pr)*exp((-14751.9815963386_pr)*R_T_inv + T_log *(4.49623843349519_pr)) k(r81b) = (0.000766650905497188_pr)*exp((-110872.829390164_pr)*R_T_inv + T_log *(2.48472917211518_pr)) k(r82b) = (743.069112744072_pr)*exp((-72524.0286934876_pr)*R_T_inv + T_log *(1.13590268558564_pr)) k(r83b) = (17960477365113.7_pr)*exp((-309707.904712221_pr)*R_T_inv + T_log *(-1.05316597640889_pr)) k_0(FOr84b) = (1.63324675406506e+24_pr)*exp((-163561.83818089_pr)*R_T_inv + T_log *(-4.21321876092899_pr)) k_inf(FOr84b) = (439819187.524531_pr)*exp((-159080.774151704_pr)*R_T_inv + T_log *(1.71678124408588_pr)) FC(FOr84b) = ((1.0_pr - 0.788_pr)*exp(-Tloc/(-10200_pr))) + (0.788_pr*exp(-Tloc/(1e-30_pr))) k(r84b) = getlindratecoeff(Tloc,k_0(FOr84b),k_inf(FOr84b),FC(FOr84b), M(mM84),Ploc) k(r85b) = (8.9236059734301e+17_pr)*exp((-63749.7927513926_pr)*R_T_inv + T_log *(-3.47309584941049_pr)) k(r86b) = (25388286.356572_pr)*exp((-36760.4823209217_pr)*R_T_inv + T_log *(-0.243095843984361_pr)) k(r87b) = (1474.90241821378_pr)*exp((-70835.092102968_pr)*R_T_inv + T_log *(0.683034902891478_pr)) k(r88b) = (0.00315560497029313_pr)*exp((-54685.6888559306_pr)*R_T_inv + T_log *(2.25303491126959_pr)) k(r89b) = (0.0162233949527972_pr)*exp((-333413.248667462_pr)*R_T_inv + T_log *(1.99091075611901_pr)) k(r90b) = (8.05048053297786e-06_pr)*exp((-314991.096981783_pr)*R_T_inv + T_log *(2.6109107012278_pr)) k(r91b) = (1.52375028979773e+28_pr)*exp((-412691.200469792_pr)*R_T_inv + T_log *(-6.9568134523753_pr)) k(r92b) = (339355370.254962_pr)*exp((-365937.929258005_pr)*R_T_inv + T_log *(-0.946813450200115_pr)) k(r95b) = (712514.652363144_pr)*exp((-383475.92631263_pr)*R_T_inv + T_log *(-0.485607094547538_pr)) k(r96b) = (3.99146560544297e+16_pr)*exp((-406570.769519184_pr)*R_T_inv + T_log *(-3.6956070954122_pr)) k(r97b) = (3.61133574983465e+27_pr)*exp((-586672.059056914_pr)*R_T_inv + T_log *(-6.75296460407486_pr)) k(r98b) = (2649973570.12129_pr)*exp((-544860.091941256_pr)*R_T_inv + T_log *(-1.19296461890891_pr)) k(r99b) = (1099460465.42648_pr)*exp((-285331.284566365_pr)*R_T_inv + T_log *(-0.135257807665443_pr)) k(r100b) = (2069723124.92907_pr)*exp((-347487.498425507_pr)*R_T_inv + T_log *(-0.16934635656055_pr)) k(r101b) = (21488.6175764498_pr)*exp((-91779.5922106483_pr)*R_T_inv + T_log *(0.976597763611546_pr)) k(r102b) = (0.0442293085702399_pr)*exp((-107565.920098242_pr)*R_T_inv + T_log *(2.71556686305146_pr)) k(r103b) = (2061961698445.67_pr)*exp((-91060.6220418015_pr)*R_T_inv + T_log *(-1.37780768429384_pr)) k(r104b) = (0.0102927539358138_pr)*exp((-9193.94226107359_pr)*R_T_inv + T_log *(2.63017051138724_pr)) k(r105b) = (5075.63821928698_pr)*exp((-107338.551367012_pr)*R_T_inv + T_log *(0.950443243453189_pr)) k(r106b) = (1.58992638991203_pr)*exp((-238356.977774678_pr)*R_T_inv + T_log *(1.61439619605579_pr)) k(r107b) = (266791.141233098_pr)*exp((-641607.354534515_pr)*R_T_inv + T_log *(0.737433004383466_pr)) k(r108b) = (42500.2357237908_pr)*exp((-329145.642275801_pr)*R_T_inv + T_log *(0.933635297438583_pr)) k(r109b) = (754.809759842933_pr)*exp((-126684.351619135_pr)*R_T_inv + T_log *(1.97574093604445_pr)) k(r110b) = (424034913442.373_pr)*exp((-211924.354063253_pr)*R_T_inv + T_log *(-0.806485176012367_pr)) k_0(FOr111b) = (4.716640376235e+16_pr)*exp((-25710.6054162754_pr)*R_T_inv + T_log *(-3.67034077419098_pr)) k_inf(FOr111b) = (112413598.841565_pr)*exp((-34815.4100035858_pr)*R_T_inv + T_log *(-0.0203411628437348_pr)) FC(FOr111b) = ((1.0_pr - 0.985_pr)*exp(-Tloc/(393_pr))) + (0.985_pr*exp(-Tloc/(9800000000_pr)))& + exp(-(5000000000_pr)/Tloc) k(r111b) = getlindratecoeff(Tloc,k_0(FOr111b),k_inf(FOr111b),FC(FOr111b), M(mM111),Ploc) k_0(FOr112b) = (1.38195452646905e+15_pr)*exp((-145863.60259531_pr)*R_T_inv + T_log *(-3.45638788662603_pr)) k_inf(FOr112b) = (0.425328441546189_pr)*exp((-141679.602595476_pr)*R_T_inv + T_log *(1.90361211334276_pr)) FC(FOr112b) = ((1.0_pr - 7.13e-17_pr)*exp(-Tloc/(1150_pr))) + (7.13e-17_pr*exp(-Tloc/(4990000000_pr)))& + exp(-(1790000000_pr)/Tloc) k(r112b) = getlindratecoeff(Tloc,k_0(FOr112b),k_inf(FOr112b),FC(FOr112b), M(mM112),Ploc) k(r113b) = (121822293522.755_pr)*exp((-377712.033662519_pr)*R_T_inv + T_log *(-0.75599068201359_pr)) k(r114b) = (0.0014348162877176_pr)*exp((-140670.91476024_pr)*R_T_inv + T_log *(2.93395289086451_pr)) k(r115b) = (43204147912321.7_pr)*exp((-318506.665248064_pr)*R_T_inv + T_log *(-1.31537948662669_pr)) k(r116b) = (903962.733051843_pr)*exp((-74822.7525574956_pr)*R_T_inv + T_log *(0.243482199473839_pr)) k(r119b) = (2.9249516678925e+23_pr)*exp((-309710.016233808_pr)*R_T_inv + T_log *(-3.34577315441476_pr)) k(r120b) = (72.2844186604227_pr)*exp((-73747.8428291694_pr)*R_T_inv + T_log *(1.63545364114538_pr)) k(r123b) = (195601.417254472_pr)*exp((-43796.1197993567_pr)*R_T_inv + T_log *(0.134823126191479_pr)) k(r124b) = (40734944109.1596_pr)*exp((-348496.970918376_pr)*R_T_inv + T_log *(-0.706186649290529_pr)) k_0(FOr126b) = (3.77899876731668e+60_pr)*exp((-461754.516880118_pr)*R_T_inv + T_log *(-13.2925196926209_pr)) k_inf(FOr126b) = (2.21252899855062e+21_pr)*exp((-420877.673823687_pr)*R_T_inv + T_log *(-1.35251971889651_pr)) FC(FOr126b) = ((1.0_pr - 0.175_pr)*exp(-Tloc/(1341_pr))) + (0.175_pr*exp(-Tloc/(60000_pr)))& + exp(-(10140_pr)/Tloc) k(r126b) = getlindratecoeff(Tloc,k_0(FOr126b),k_inf(FOr126b),FC(FOr126b), M(mM126),Ploc) k(r127b) = (1.6332403347485e+65_pr)*exp((-543615.764019487_pr)*R_T_inv + T_log *(-14.8642750433045_pr)) k(r128b) = (9.9681326182583e+46_pr)*exp((-482796.303153297_pr)*R_T_inv + T_log *(-10.1342750318051_pr)) k(r129b) = (6.32730846703181e+36_pr)*exp((-150343.215274642_pr)*R_T_inv + T_log *(-8.33222744141115_pr)) k(r130b) = (5.54352010937712e+15_pr)*exp((-97363.7336553142_pr)*R_T_inv + T_log *(-2.20222743799165_pr)) k(r131b) = (3.6042502959822e+17_pr)*exp((-78220.3303298999_pr)*R_T_inv + T_log *(-3.20175534878618_pr)) k(r132b) = (426.271894265329_pr)*exp((-39893.9279825803_pr)*R_T_inv + T_log *(1.0082446559944_pr)) k(r133b) = (8.71746653917083e+31_pr)*exp((-115050.724934717_pr)*R_T_inv + T_log *(-6.34047209090815_pr)) k(r134b) = (7368726528483.48_pr)*exp((-60749.0993445271_pr)*R_T_inv + T_log *(-1.17047209257236_pr)) k(r135b) = (6.55358753104016e+61_pr)*exp((-139778.326296628_pr)*R_T_inv + T_log *(-15.8474803031793_pr)) k(r136b) = (7.57052353587911e+40_pr)*exp((-55428.8862972229_pr)*R_T_inv + T_log *(-10.4474803033405_pr)) k(r137b) = (2.00719379128055e+65_pr)*exp((-156337.691264245_pr)*R_T_inv + T_log *(-16.3179523998138_pr)) k(r138b) = (1.16714602332285e+37_pr)*exp((-43972.1872667947_pr)*R_T_inv + T_log *(-8.92795240025177_pr)) k(r139b) = (0.198763433089405_pr)*exp((-85248.3150127032_pr)*R_T_inv + T_log *(2.35257099685845_pr)) k(r140b) = (393504466810453_pr)*exp((-31685.079889753_pr)*R_T_inv + T_log *(-2.14413624731523_pr)) k(r141b) = (150858.343484239_pr)*exp((-85473.4116599383_pr)*R_T_inv + T_log *(0.576394928329848_pr)) k(r142b) = (14.6547995297179_pr)*exp((-133553.814900028_pr)*R_T_inv + T_log *(1.93548251294557_pr)) k(r143b) = (0.000596207463443268_pr)*exp((-97379.314812475_pr)*R_T_inv + T_log *(3.01973344046579_pr)) k(r144b) = (0.000191680698457974_pr)*exp((-111800.540119798_pr)*R_T_inv + T_log *(2.70731579327527_pr)) k(r146b) = (1.61924363389317e+48_pr)*exp((-213642.017199484_pr)*R_T_inv + T_log *(-11.2637053448629_pr)) k(r147b) = (5.88532731709318e+27_pr)*exp((-172915.379536764_pr)*R_T_inv + T_log *(-5.33370533369434_pr)) k(r148b) = (12.7892354256812_pr)*exp((-63774.7178436452_pr)*R_T_inv + T_log *(1.68096710450765_pr)) k(r149b) = (4.78997594994022e-22_pr)*exp((-41050.9954646257_pr)*R_T_inv + T_log *(1.21096710085759_pr)) k(r150b) = (5.07570618386318e+60_pr)*exp((-233733.585225753_pr)*R_T_inv + T_log *(-14.703705349382_pr)) k(r151b) = (1.65038294255759e+29_pr)*exp((-172866.426803477_pr)*R_T_inv + T_log *(-5.3937053454829_pr)) k(r152b) = (2.49310690781373e+52_pr)*exp((-201908.30975592_pr)*R_T_inv + T_log *(-12.1446724492729_pr)) k(r153b) = (8.45121025446505e+37_pr)*exp((-160277.509790323_pr)*R_T_inv + T_log *(-8.43467245536494_pr)) k(r154b) = (11559719597780.8_pr)*exp((-24708.431001634_pr)*R_T_inv + T_log *(-2.28752150213022_pr)) k(r155b) = (1.0496364395208e-05_pr)*exp((-211172.509520896_pr)*R_T_inv + T_log *(3.65246493570409_pr)) k(r156b) = (307940.387996687_pr)*exp((-262525.635531924_pr)*R_T_inv + T_log *(0.583376359743435_pr)) k(r157b) = (12641440.3269732_pr)*exp((-206455.378290722_pr)*R_T_inv + T_log *(-0.0803726501666338_pr)) k(r158b) = (4.44423196699861e-05_pr)*exp((-78089.8511550579_pr)*R_T_inv + T_log *(3.20377308361821_pr)) k(r159b) = (0.808221252139912_pr)*exp((-138062.020951118_pr)*R_T_inv + T_log *(2.07468384498429_pr)) k(r160b) = (4313217.80865936_pr)*exp((-93836.6640737232_pr)*R_T_inv + T_log *(-0.269064528688105_pr)) k(r161b) = (1.6087221451619e+53_pr)*exp((-321994.741052261_pr)*R_T_inv + T_log *(-11.751941473309_pr)) k(r162b) = (1.1436740040993e+32_pr)*exp((-261632.173063099_pr)*R_T_inv + T_log *(-6.08194147520462_pr)) k(r163b) = (1025987918.36722_pr)*exp((-92933.2900033279_pr)*R_T_inv + T_log *(-0.812250633426853_pr)) k(r164b) = (1.00155959323433e-07_pr)*exp((-56666.377973274_pr)*R_T_inv + T_log *(3.69774937193239_pr)) k(r165b) = (0.00076797065118463_pr)*exp((-499237.229833468_pr)*R_T_inv + T_log *(3.09663478096988_pr)) k(r166b) = (1.28510120672315e-12_pr)*exp((-300695.729027064_pr)*R_T_inv + T_log *(5.46520527709157_pr)) k(r167b) = (829.07495570389_pr)*exp((-139121.326233215_pr)*R_T_inv + T_log *(1.27069126126739_pr)) k(r169b) = (0.000277095844116663_pr)*exp((-72045.5311141147_pr)*R_T_inv + T_log *(3.23532580612321_pr)) k(r170b) = (156003.145115742_pr)*exp((-136490.39297159_pr)*R_T_inv + T_log *(0.681237257429558_pr)) k(r171b) = (241966.431128446_pr)*exp((-269608.936099242_pr)*R_T_inv + T_log *(0.767608318765899_pr)) k(r172b) = (108448.549286184_pr)*exp((-446213.725033028_pr)*R_T_inv + T_log *(1.20903780131232_pr)) k(r173b) = (45106.4109221065_pr)*exp((-67225.8478732658_pr)*R_T_inv + T_log *(0.264677503051382_pr)) k(r174b) = (127994.178144689_pr)*exp((-72646.5751675735_pr)*R_T_inv + T_log *(0.153445109195129_pr)) k(r175b) = (0.0239492637625244_pr)*exp((-47660.1792406758_pr)*R_T_inv + T_log *(2.10228187391653_pr)) k(r176b) = (3.60584417358373e-08_pr)*exp((-47660.1792341379_pr)*R_T_inv + T_log *(2.10228187512078_pr)) k_0(FOr177b) = (1.29715244529346e+61_pr)*exp((-352151.66945482_pr)*R_T_inv + T_log *(-14.0082206910877_pr)) k_inf(FOr177b) = (1.99051505386254e+21_pr)*exp((-324904.206178393_pr)*R_T_inv + T_log *(-1.51822067757955_pr)) FC(FOr177b) = ((1.0_pr - 0.104_pr)*exp(-Tloc/(1606_pr))) + (0.104_pr*exp(-Tloc/(60000_pr)))& + exp(-(6118_pr)/Tloc) k(r177b) = getlindratecoeff(Tloc,k_0(FOr177b),k_inf(FOr177b),FC(FOr177b), M(mM177),Ploc) k(r178b) = (153879976990109_pr)*exp((-371501.899763037_pr)*R_T_inv + T_log *(0.237998908975558_pr)) k(r179b) = (0.446305946583763_pr)*exp((-142822.755865887_pr)*R_T_inv + T_log *(2.24343594797234_pr)) k(r180b) = (8808.43241811755_pr)*exp((-100968.060948381_pr)*R_T_inv + T_log *(0.756348362911341_pr)) k(r181b) = (57331191.2796955_pr)*exp((-9514.9428041091_pr)*R_T_inv + T_log *(-0.294182817273788_pr)) k(r182b) = (0.0294054288613442_pr)*exp((-2696.56614721636_pr)*R_T_inv + T_log *(2.86600870113468_pr)) k(r183b) = (3841.72072242076_pr)*exp((-97122.582084294_pr)*R_T_inv + T_log *(0.808759699199748_pr)) k(r184b) = (244.214985961396_pr)*exp((-76365.7580978491_pr)*R_T_inv + T_log *(1.34875969684437_pr)) k(r185b) = (7412014.21610631_pr)*exp((-77986.1030358321_pr)*R_T_inv + T_log *(0.0761731344697362_pr)) k(r186b) = (1962.48143368805_pr)*exp((-95199.0792758085_pr)*R_T_inv + T_log *(0.626173091747457_pr)) k(r187b) = (1.30959240270694e+32_pr)*exp((-194473.418866633_pr)*R_T_inv + T_log *(-6.66962892284865_pr)) k(r188b) = (2.6053996906493e+33_pr)*exp((-174796.066886124_pr)*R_T_inv + T_log *(-6.83962892624331_pr)) k(r189b) = (4.39656863314409e+29_pr)*exp((-58616.1312008404_pr)*R_T_inv + T_log *(-7.62161137501143_pr)) k(r190b) = (4.8238244069664e+28_pr)*exp((-89875.9323911063_pr)*R_T_inv + T_log *(-7.78419798213849_pr)) k(r191b) = (4.73157705051927e-07_pr)*exp((-110722.415114766_pr)*R_T_inv + T_log *(3.43733888092717_pr)) k(r193b) = (986.234368170943_pr)*exp((-179373.64896807_pr)*R_T_inv + T_log *(0.993533210121989_pr)) k(r194b) = (2.59217200903388e+20_pr)*exp((-86959.8563824718_pr)*R_T_inv + T_log *(-3.51917498936767_pr)) k(r195b) = (1252020.550058_pr)*exp((-77587.3224428102_pr)*R_T_inv + T_log *(0.0633195850884534_pr)) k(r196b) = (298.356846568156_pr)*exp((-283818.526053029_pr)*R_T_inv + T_log *(1.47860833901138_pr)) k(r205b) = (27321752.0964765_pr)*exp((-6455.41469310656_pr)*R_T_inv + T_log *(-0.418192621226692_pr)) k(r206b) = (0.00431048929515974_pr)*exp((-66631.6004745904_pr)*R_T_inv + T_log *(0.892669519097097_pr)) k(r207b) = (106453.392625889_pr)*exp((-526229.439730612_pr)*R_T_inv + T_log *(0.406089995244222_pr)) k(r208b) = (1837934613.39748_pr)*exp((-141768.449477883_pr)*R_T_inv + T_log *(-0.449583809793862_pr)) k(r209b) = (4681362482425.59_pr)*exp((-274649.786809398_pr)*R_T_inv + T_log *(-0.413085213556801_pr)) k(r210b) = (25408727900.2524_pr)*exp((-469985.312947184_pr)*R_T_inv + T_log *(0.152708481804737_pr)) k(r211b) = (146.867780572555_pr)*exp((-171364.403468136_pr)*R_T_inv + T_log *(2.18288240916592_pr)) k(r214b) = (476.549065002519_pr)*exp((-354530.663824061_pr)*R_T_inv + T_log *(-0.183651145601307_pr)) k(r215b) = (65550702.4942866_pr)*exp((-294038.558986613_pr)*R_T_inv + T_log *(0.235221232432766_pr)) k(r216b) = (177498397838.329_pr)*exp((-231237.094637179_pr)*R_T_inv + T_log *(-0.721932899029842_pr)) k(r217b) = (5538320672314.76_pr)*exp((-419912.189519792_pr)*R_T_inv + T_log *(-1.07416165138004_pr)) k(r218b) = (10880081.2664632_pr)*exp((-59601.4949970779_pr)*R_T_inv + T_log *(-0.0909936160575144_pr)) k(r220b) = (106713964207.732_pr)*exp((-82303.0576011047_pr)*R_T_inv + T_log *(-0.788324846114812_pr)) k(r223b) = (44118.8217764416_pr)*exp((-13632.5765724757_pr)*R_T_inv + T_log *(0.399802338385708_pr)) k(r224b) = (15595.15201233_pr)*exp((-190923.23173524_pr)*R_T_inv + T_log *(0.49444479527435_pr)) k(r225b) = (285014.098964674_pr)*exp((-160644.87295073_pr)*R_T_inv + T_log *(0.199512506652607_pr)) k(r226b) = (3.21483863636068e+15_pr)*exp((-284538.413643469_pr)*R_T_inv + T_log *(-0.940043743743788_pr)) k(r227b) = (5.26456406454149e+17_pr)*exp((-275839.380011287_pr)*R_T_inv + T_log *(-1.92728215490972_pr)) k(r228b) = (1.38251095886874e+31_pr)*exp((-397802.62339248_pr)*R_T_inv + T_log *(-4.79324961677554_pr)) k(r232b) = (5549285556.53702_pr)*exp((-187228.403027431_pr)*R_T_inv + T_log *(-0.920601513057359_pr)) k_0(FOr243b) = (7.15625978181842e+53_pr)*exp((-391045.823945609_pr)*R_T_inv + T_log *(-11.582047602056_pr)) k_inf(FOr243b) = (53806441612410.1_pr)*exp((-366076.548437794_pr)*R_T_inv + T_log *(0.417952453300431_pr)) FC(FOr243b) = ((1.0_pr - 0.02_pr)*exp(-Tloc/(1097_pr))) + (0.02_pr*exp(-Tloc/(10970_pr)))& + exp(-(6860_pr)/Tloc) k(r243b) = getlindratecoeff(Tloc,k_0(FOr243b),k_inf(FOr243b),FC(FOr243b), M(mM243),Ploc) k(r255b) = (294.010104842189_pr)*exp((19907.2815378014_pr)*R_T_inv + T_log *(1.46541607970622_pr)) k(r256b) = (15173.3821376136_pr)*exp((-18647.7732642718_pr)*R_T_inv + T_log *(1.01757689271379_pr)) k(r257b) = (0.136027034863153_pr)*exp((13353.4106813313_pr)*R_T_inv + T_log *(2.34973815384686_pr)) k(r258b) = (444467071135.829_pr)*exp((-165217.063542804_pr)*R_T_inv + T_log *(0.671704145303972_pr)) k(r260b) = (6151410.26536636_pr)*exp((-37412.0120153914_pr)*R_T_inv + T_log *(-0.267195376988062_pr)) k(r261b) = (0.00206851459210109_pr)*exp((10626.1496530081_pr)*R_T_inv + T_log *(2.3068337021392_pr)) k(r263b) = (15776265079727.8_pr)*exp((-147036.580063338_pr)*R_T_inv + T_log *(0.00446575928665529_pr)) k(r264b) = (0.000806480584487783_pr)*exp((-46936.4918640463_pr)*R_T_inv + T_log *(2.67329091036009_pr)) k(r265b) = (0.111700347111075_pr)*exp((-30037.4124728058_pr)*R_T_inv + T_log *(1.83656659262349_pr)) k(r266b) = (0.00133267339766699_pr)*exp((-35018.0667608353_pr)*R_T_inv + T_log *(2.2824901783711_pr)) k(r267b) = (0.0700033634783906_pr)*exp((-41661.3984549_pr)*R_T_inv + T_log *(1.91306430258051_pr)) k(r278b) = (73924823534.2437_pr)*exp((-326111.136862853_pr)*R_T_inv + T_log *(-1.29551366611426_pr)) k(r279b) = (1012152773521.83_pr)*exp((4898.84699574912_pr)*R_T_inv + T_log *(-1.11580272549839_pr)) k(r280b) = (5191.97497974726_pr)*exp((31852.4345198867_pr)*R_T_inv + T_log *(0.711600351231896_pr)) k(r282b) = (59528860685.8107_pr)*exp((400.164976641907_pr)*R_T_inv + T_log *(-1.17198653903245_pr)) k(r296b) = (6.78909239404119e+17_pr)*exp((-430832.252835433_pr)*R_T_inv + T_log *(-1.01165889397212_pr)) k(r297b) = (1303022932684.57_pr)*exp((-200450.037661778_pr)*R_T_inv + T_log *(0.377843389019814_pr)) k(r299b) = (2.0202689264888e+30_pr)*exp((-33850.8284028893_pr)*R_T_inv + T_log *(-7.54969240888131_pr)) return end subroutine get_rate_coefficients ! ----------------------------------------------- ! ! Evaluate 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 + nreac_reverse) :: w,k real(pr), dimension(nTB + nFO) :: m w(r1f) = k(r1f) * c(sH2) * c(sO) w(r2f) = k(r2f) * c(sH2) * c(sOH) w(r3f) = k(r3f) * c(sH) * c(sO2) w(r4f) = k(r4f) * c(sH) * c(sOH) * m(mM4) w(r5f) = k(r5f) * c(sH2O) * c(sO) w(r6f) = k(r6f) * c(sH) * c(sHO2) w(r7f) = k(r7f) * c(sH) * c(sHO2) w(r8f) = k(r8f) * c(sHO2) * c(sO) w(r9f) = k(r9f) * c(sHO2) * c(sOH) w(r10f) = k(r10f) * c(sHO2) * c(sOH) w(r11f) = k(r11f) * c(sH) * c(sO2) w(r12f) = k(r12f) * c(sCO) * c(sO) w(r13f) = k(r13f) * c(sCO) * c(sOH) w(r14f) = k(r14f) * c(sCO) * c(sOH) w(r15f) = k(r15f) * c(sCH3) * c(sH) w(r16f) = k(r16f) * c(sCH4) * c(sH) w(r17f) = k(r17f) * c(sCH4) * c(sO) w(r18f) = k(r18f) * c(sCH4) * c(sOH) w(r19f) = k(r19f) * c(sCH3) * c(sHO2) w(r20f) = k(r20f) * cqss(sqssCH2GSG) * c(sO2) w(r21f) = k(r21f) * cqss(sqssCH2GSG) * c(sO2) w(r22f) = k(r22f) * cqss(sqssCH2GSG) * c(sO) w(r23f) = k(r23f) * cqss(sqssCH2GSG) * c(sH2) w(r24f) = k(r24f) * cqss(sqssCH2GSG) * c(sH) w(r25f) = k(r25f) * cqss(sqssCH2GSG) * c(sOH) w(r26f) = k(r26f) * cqss(sqssCH2GSG) * c(sCO2) w(r27f) = k(r27f) * cqss(sqssCH) * c(sO2) w(r28f) = k(r28f) * cqss(sqssCH) * c(sO) w(r29f) = k(r29f) * cqss(sqssCH) * c(sH) w(r30f) = k(r30f) * cqss(sqssCH) * c(sOH) w(r31f) = k(r31f) * cqss(sqssC) * c(sOH) w(r32f) = k(r32f) * cqss(sqssC) * c(sO2) w(r33f) = k(r33f) * c(sCH3) * c(sO2) w(r34f) = k(r34f) * c(sCH3) * c(sO2) w(r35f) = k(r35f) * c(sCH3) * c(sO) w(r36f) = k(r36f) * c(sCH3) * c(sOH) w(r37f) = k(r37f) * c(sCH3) * c(sOH) w(r38f) = k(r38f) * c(sCH3) * c(sOH) w(r39f) = k(r39f) * c(sCH3) * c(sHO2) w(r40f) = k(r40f) * c(sCH3OGL1G) * c(sO2) w(r41f) = k(r41f) * c(sCH3OGL1G) * c(sO2) w(r42f) = k(r42f) * c(sCH3OGL1G) * cqss(sqssHCO) w(r43f) = k(r43f) * c(sCH3OGL1G) * c(sOH) w(r44f) = k(r44f) * c(sCH3OGL1G) * c(sO2) w(r45f) = k(r45f) * c(sCH3OGL1G) * c(sH) w(r46f) = k(r46f) * c(sCH3) * c(sCH3OGL1G) w(r47f) = k(r47f) * c(sH) * cqss(sqssHCO) w(r48f) = k(r48f) * c(sCO) * c(sH2) w(r49f) = k(r49f) * c(sCH2O) * c(sO2) w(r50f) = k(r50f) * c(sCH2O) * c(sO) w(r51f) = k(r51f) * c(sCH2O) * c(sH) w(r52f) = k(r52f) * c(sCH2O) * c(sOH) w(r53f) = k(r53f) * c(sCH2O) * c(sCH3) w(r54f) = k(r54f) * cqss(sqssHCO) * m(mM54) w(r55f) = k(r55f) * cqss(sqssHCO) * c(sO2) w(r56f) = k(r56f) * cqss(sqssHCO) * c(sO) w(r57f) = k(r57f) * c(sH) * cqss(sqssHCO) w(r58f) = k(r58f) * cqss(sqssHCO) * c(sOH) w(r59f) = k(r59f) * c(sCH3) * cqss(sqssHCO) w(r60f) = k(r60f) * cqss(sqssHCO) * c(sO) w(r61f) = k(r61f) * cqss(sqssHCO) * c(sHO2) w(r62f) = k(r62f) * c(sCH2O) * c(sH) w(r63f) = k(r63f) * c(sCH3OGL1G) w(r64f) = k(r64f) * c(sCH3)**2.0_pr w(r65f) = k(r65f) * c(sC2H5) * c(sH) w(r66f) = k(r66f) * cqss(sqssC2H6) * c(sO) w(r67f) = k(r67f) * cqss(sqssC2H6) * c(sH) w(r68f) = k(r68f) * cqss(sqssC2H6) * c(sOH) w(r69f) = k(r69f) * cqss(sqssC2H6) * c(sCH3) w(r70f) = k(r70f) * c(sC2H4) * c(sH) w(r71f) = k(r71f) * c(sC2H5) * c(sH) w(r72f) = k(r72f) * c(sC2H4)**2.0_pr w(r73f) = k(r73f) * c(sC2H5) * c(sCH3) w(r74f) = k(r74f) * c(sCH3)**2.0_pr w(r75f) = k(r75f) * c(sC2H5) * c(sO2) w(r76f) = k(r76f) * c(sC2H4) * m(mM76) w(r77f) = k(r77f) * c(sC2H4) * c(sH) w(r78f) = k(r78f) * c(sC2H4) * c(sOH) w(r79f) = k(r79f) * c(sC2H4) * c(sCH3) w(r80f) = k(r80f) * c(sC2H4) * c(sCH3) w(r81f) = k(r81f) * c(sC2H4) * c(sO) w(r82f) = k(r82f) * c(sC2H4) * c(sO) w(r83f) = k(r83f) * cqss(sqssCH2GSG) * c(sCH3) w(r84f) = k(r84f) * c(sC2H2) * c(sH) w(r85f) = k(r85f) * cqss(sqssC2H3) * c(sO2) w(r86f) = k(r86f) * cqss(sqssC2H3) * c(sO2) w(r87f) = k(r87f) * cqss(sqssC2H3) * c(sO2) w(r88f) = k(r88f) * cqss(sqssC2H3) * c(sO2) w(r89f) = k(r89f) * cqss(sqssC2H3) * c(sO2) w(r90f) = k(r90f) * cqss(sqssC2H3) * c(sO2) w(r91f) = k(r91f) * cqss(sqssC2H3) * c(sO2) w(r92f) = k(r92f) * cqss(sqssC2H3) * c(sO2) w(r93f) = k(r93f) * cqss(sqssC2H3) * c(sO2) w(r94f) = k(r94f) * cqss(sqssC2H3) * c(sO2) w(r95f) = k(r95f) * cqss(sqssC2H3) * c(sO2) w(r96f) = k(r96f) * cqss(sqssC2H3) * c(sO2) w(r97f) = k(r97f) * cqss(sqssC2H3) * c(sO2) w(r98f) = k(r98f) * cqss(sqssC2H3) * c(sO2) w(r99f) = k(r99f) * cqss(sqssC2H3) * c(sH) w(r100f) = k(r100f) * cqss(sqssC2H3) * c(sOH) w(r101f) = k(r101f) * c(sC2H2) * c(sO) w(r102f) = k(r102f) * c(sC2H2) * cqss(sqssHCO) w(r103f) = k(r103f) * c(sC2H2) * cqss(sqssCH2GSG) w(r104f) = k(r104f) * c(sC2H2) * c(sOH) w(r105f) = k(r105f) * c(sC2H2) * c(sOH) w(r106f) = k(r106f) * c(sC2H2) * c(sOH) w(r107f) = k(r107f) * cqss(sqssC2H) * c(sO2) w(r108f) = k(r108f) * cqss(sqssC2H) * c(sO) w(r109f) = k(r109f) * cqss(sqssC2H) * c(sH2) w(r110f) = k(r110f) * cqss(sqssC2H) * c(sOH) w(r111f) = k(r111f) * cqss(sqssCH2CHO) w(r112f) = k(r112f) * cqss(sqssCH2CHO) w(r113f) = k(r113f) * cqss(sqssC2H3) * c(sO) w(r114f) = k(r114f) * cqss(sqssCH2CO) * c(sH) w(r115f) = k(r115f) * cqss(sqssCH) * c(sCH2O) w(r116f) = k(r116f) * cqss(sqssCH2CO) * c(sOH) w(r117f) = k(r117f) * cqss(sqssHCCO) * c(sOH) w(r118f) = k(r118f) * cqss(sqssHCCO) * c(sO) w(r119f) = k(r119f) * cqss(sqssCH) * c(sCO) * m(mM119) w(r120f) = k(r120f) * c(sH) * cqss(sqssHCCO) w(r121f) = k(r121f) * cqss(sqssHCCO) * c(sO2) w(r122f) = k(r122f) * cqss(sqssHCCO) * c(sO2) w(r123f) = k(r123f) * c(sC3H7GL1G) * c(sH) w(r124f) = k(r124f) * c(sC3H7GL1G) * c(sOH) w(r125f) = k(r125f) * c(sC3H7GL1G) * c(sHO2) w(r126f) = k(r126f) * cqss(sqssC2H3) * c(sCH3) w(r127f) = k(r127f) * c(sC2H4) * cqss(sqssCH2GSG) w(r128f) = k(r128f) * c(sC2H4) * cqss(sqssCH2GSG) w(r129f) = k(r129f) * c(sC2H4) * cqss(sqssCH2GSG) w(r130f) = k(r130f) * c(sC2H4) * cqss(sqssCH2GSG) w(r131f) = k(r131f) * c(sC2H4) * cqss(sqssCH2GSG) w(r132f) = k(r132f) * c(sC2H4) * cqss(sqssCH2GSG) w(r133f) = k(r133f) * cqss(sqssC2H3) * c(sCH3) w(r134f) = k(r134f) * cqss(sqssC2H3) * c(sCH3) w(r135f) = k(r135f) * c(sC3H6) w(r136f) = k(r136f) * c(sC3H6) w(r137f) = k(r137f) * c(sC3H6) w(r138f) = k(r138f) * c(sC3H6) w(r139f) = k(r139f) * c(sC3H6) * c(sH) w(r140f) = k(r140f) * c(sC3H6) * c(sO2) w(r141f) = k(r141f) * c(sC3H6) * c(sO) w(r142f) = k(r142f) * c(sC3H6) * c(sOH) w(r143f) = k(r143f) * c(sC3H6) * c(sCH3) w(r144f) = k(r144f) * c(sC3H6) * c(sO) w(r145f) = k(r145f) * c(sC3H6) * c(sO) w(r146f) = k(r146f) * c(sC3H6) * c(sH) w(r147f) = k(r147f) * c(sC3H6) * c(sH) w(r148f) = k(r148f) * c(sC3H6) * c(sH) w(r149f) = k(r149f) * c(sC3H6) * c(sH) w(r150f) = k(r150f) * c(sC3H6) * c(sH) w(r151f) = k(r151f) * c(sC3H6) * c(sH) w(r152f) = k(r152f) * c(sC2H4) * c(sCH3) w(r153f) = k(r153f) * c(sC2H4) * c(sCH3) w(r154f) = k(r154f) * c(sC3H6) * c(sHO2) w(r155f) = k(r155f) * cqss(sqssC3H5XA) * c(sH) w(r156f) = k(r156f) * cqss(sqssC3H5XA) * c(sOH) w(r157f) = k(r157f) * cqss(sqssC3H5XA) * c(sCH3) w(r158f) = k(r158f) * c(sC3H4XA) * c(sH) w(r159f) = k(r159f) * c(sC3H4XA) * c(sOH) w(r160f) = k(r160f) * c(sC3H4XA) * c(sCH3) w(r161f) = k(r161f) * c(sC3H4XA) * c(sH) w(r162f) = k(r162f) * c(sC3H4XA) * c(sH) w(r163f) = k(r163f) * c(sC3H4XA) * c(sH) w(r164f) = k(r164f) * c(sC3H4XA) * c(sH) w(r165f) = k(r165f) * c(sC3H4XA) * c(sO) w(r166f) = k(r166f) * c(sC3H4XA) * c(sO) w(r167f) = k(r167f) * cqss(sqssC3H3) * c(sO) w(r168f) = k(r168f) * cqss(sqssC3H3) * c(sHO2) w(r169f) = k(r169f) * cqss(sqssC3H3) * c(sH) w(r170f) = k(r170f) * cqss(sqssC3H3) * c(sOH) w(r171f) = k(r171f) * cqss(sqssC3H3) * c(sOH) w(r172f) = k(r172f) * cqss(sqssC3H3) * c(sOH) w(r173f) = k(r173f) * c(sC3H7GL1G) * c(sO2) w(r174f) = k(r174f) * c(sO2) * cqss(sqssPC4H9) w(r175f) = k(r175f) * c(sH) * cqss(sqssIC4H8) w(r176f) = k(r176f) * c(sH) * cqss(sqssIC4H8) w(r177f) = k(r177f) * cqss(sqssC3H5XA) * c(sCH3) w(r178f) = k(r178f) * cqss(sqssC4H71X3) * c(sH) w(r179f) = k(r179f) * c(sC4H8X1) * c(sOH) w(r180f) = k(r180f) * c(sC4H8X1) * c(sO) w(r181f) = k(r181f) * c(sC4H8X1) * c(sO2) w(r182f) = k(r182f) * cqss(sqssC4H71X3) w(r183f) = k(r183f) * c(sC4H8X1) * c(sH) w(r184f) = k(r184f) * c(sC4H8X1) * c(sH) w(r185f) = k(r185f) * c(sC4H8X1) * c(sH) w(r186f) = k(r186f) * c(sC4H8X1) * c(sH) w(r187f) = k(r187f) * c(sC4H8X1) * c(sH) w(r188f) = k(r188f) * c(sC4H8X1) * c(sH) w(r189f) = k(r189f) * cqss(sqssPC4H9) w(r190f) = k(r190f) * cqss(sqssPC4H9) w(r191f) = k(r191f) * c(sC4H8X1) * c(sO) w(r192f) = k(r192f) * c(sC4H8X1) * c(sO) w(r193f) = k(r193f) * c(sC4H8X1) w(r194f) = k(r194f) * cqss(sqssC4H6) * c(sH) w(r195f) = k(r195f) * cqss(sqssC4H6) * c(sOH) w(r196f) = k(r196f) * cqss(sqssC4H6) * c(sO) w(r197f) = k(r197f) * c(sC3H4XA) * c(sO2) w(r198f) = k(r198f) * c(sC2H2) * c(sO) w(r199f) = k(r199f) * cqss(sqssCH2CO) * c(sO) w(r200f) = k(r200f) * cqss(sqssCH2CO) * c(sOH) w(r201f) = k(r201f) * cqss(sqssCH2CO) * c(sO2) w(r202f) = k(r202f) * cqss(sqssCH2CO) * c(sO2) w(r203f) = k(r203f) * cqss(sqssCH2CHO) * c(sO2) w(r204f) = k(r204f) * cqss(sqssCH2CO) w(r205f) = k(r205f) * cqss(sqssCH2CO) * c(sCH3) w(r206f) = k(r206f) * cqss(sqssHCCO) * c(sOH) w(r207f) = k(r207f) * cqss(sqssHCCO) * c(sO2) w(r208f) = k(r208f) * cqss(sqssC2H) * c(sO2) w(r209f) = k(r209f) * c(sO) * c(sOH) * m(mM209) w(r210f) = k(r210f) * cqss(sqssC2H) * c(sO2) w(r211f) = k(r211f) * cqss(sqssCH) * c(sOH) w(r212f) = k(r212f) * c(sC2H5) * c(sO2) w(r213f) = k(r213f) * c(sC2H5) * c(sHO2) w(r214f) = k(r214f) * cqss(sqssCH2GSG) * c(sO) w(r215f) = k(r215f) * cqss(sqssC3H2) * c(sOH) w(r216f) = k(r216f) * cqss(sqssCH) * c(sCH3) w(r217f) = k(r217f) * cqss(sqssC) * c(sCH3) w(r218f) = k(r218f) * cqss(sqssCH2GSG) * c(sCH4) w(r219f) = k(r219f) * c(sCH3)**2.0_pr w(r220f) = k(r220f) * c(sC2H2) * cqss(sqssCH) w(r221f) = k(r221f) * cqss(sqssC3H3) * c(sCH3) w(r222f) = k(r222f) * cqss(sqssC4H6) w(r223f) = k(r223f) * cqss(sqssC3H3) w(r224f) = k(r224f) * cqss(sqssC2H6) w(r225f) = k(r225f) * c(sC3H6) w(r226f) = k(r226f) * c(sC2H2) * c(sC2H4) w(r227f) = k(r227f) * c(sC2H4)**2.0_pr w(r228f) = k(r228f) * cqss(sqssC3H3) * c(sH) w(r229f) = k(r229f) * cqss(sqssC4H6) * c(sO) w(r230f) = k(r230f) * c(sCH2O) * c(sO) w(r231f) = k(r231f) * c(sC2H2) * c(sHO2) w(r232f) = k(r232f) * c(sCH3OGL1G) * c(sCO) w(r233f) = k(r233f) * c(sC2H4) * c(sO2) w(r234f) = k(r234f) * c(sC2H4) * c(sO2) w(r235f) = k(r235f) * cqss(sqssC4H6) * c(sO2) w(r236f) = k(r236f) * cqss(sqssCH2CHO) * c(sO2) w(r237f) = k(r237f) * cqss(sqssC2H3) * c(sO) w(r238f) = k(r238f) * cqss(sqssC3H5XA) * c(sO) w(r239f) = k(r239f) * cqss(sqssCH2CHO) * c(sO) w(r240f) = k(r240f) * cqss(sqssC2H3) * c(sHO2) w(r241f) = k(r241f) * cqss(sqssCH2CHO) * c(sOH) w(r242f) = k(r242f) * c(sC2H2) * c(sOH) w(r243f) = k(r243f) * cqss(sqssC3H5XA) * c(sH) w(r244f) = k(r244f) * c(sH2) * cqss(sqssHCCO) w(r245f) = k(r245f) * c(sC2H2) * c(sO) w(r246f) = k(r246f) * c(sC2H4) * c(sO) w(r247f) = k(r247f) * c(sC3H4XA) * c(sO) w(r248f) = k(r248f) * c(sH2O) * cqss(sqssHCCO) w(r249f) = k(r249f) * cqss(sqssCH2CO) * c(sH) w(r250f) = k(r250f) * cqss(sqssCH2CO) * c(sO) w(r251f) = k(r251f) * cqss(sqssCH2CO) * c(sOH) w(r252f) = k(r252f) * c(sC4H8X1) * c(sH) w(r253f) = k(r253f) * c(sC4H8X1) * c(sCH3) w(r254f) = k(r254f) * c(sNC5H11) w(r255f) = k(r255f) * c(sNC5H10) w(r256f) = k(r256f) * c(sNC5H10) w(r257f) = k(r257f) * c(sNC5H10) w(r258f) = k(r258f) * c(sH) * c(sNC5H10) w(r259f) = k(r259f) * c(sNC5H11) * c(sO2) w(r260f) = k(r260f) * c(sC2H5) * c(sC4H8X1) w(r261f) = k(r261f) * cqss(sqssC4H71X3) w(r262f) = k(r262f) * c(sNC7H14) w(r263f) = k(r263f) * c(sH) * c(sNC7H14) w(r264f) = k(r264f) * c(sNC7H15) w(r265f) = k(r265f) * c(sNC7H15) w(r266f) = k(r266f) * c(sNC7H15) w(r267f) = k(r267f) * c(sNC7H15) w(r268f) = k(r268f) * c(sNC7H15) * c(sO2) w(r269f) = k(r269f) * c(sNC12H26) w(r270f) = k(r270f) * c(sNC12H26) w(r271f) = k(r271f) * cqss(sqssNC12H25) w(r272f) = k(r272f) * c(sMCYC6) w(r273f) = k(r273f) * c(sH) * c(sNC12H26) w(r274f) = k(r274f) * c(sCH3) * c(sNC12H26) w(r275f) = k(r275f) * c(sC2H5) * c(sNC12H26) w(r276f) = k(r276f) * c(sNC12H26) * c(sO) w(r277f) = k(r277f) * c(sNC12H26) * c(sOH) w(r278f) = k(r278f) * cqss(sqssCH3C6H4) * c(sO2) w(r279f) = k(r279f) * c(sXYLENE) w(r280f) = k(r280f) * c(sXYLENE) w(r281f) = k(r281f) * cqss(sqssC6H4O2) w(r282f) = k(r282f) * c(sO2) * c(sXYLENE) w(r283f) = k(r283f) * c(sO) * c(sRXYLENE) w(r284f) = k(r284f) * c(sHO2) * c(sRXYLENE) w(r285f) = k(r285f) * c(sH) * c(sXYLENE) w(r286f) = k(r286f) * c(sCH3) * c(sXYLENE) w(r287f) = k(r287f) * cqss(sqssC6H4O2) * c(sH) w(r288f) = k(r288f) * cqss(sqssC6H4O2) * c(sO) w(r289f) = k(r289f) * cqss(sqssC6H4O2) * c(sOH) w(r290f) = k(r290f) * c(sO) * c(sXYLENE) w(r291f) = k(r291f) * c(sOH) * c(sXYLENE) w(r292f) = k(r292f) * c(sH) * c(sXYLENE) w(r293f) = k(r293f) * c(sCH3) * c(sXYLENE) w(r294f) = k(r294f) * c(sO) * c(sXYLENE) w(r295f) = k(r295f) * c(sOH) * c(sXYLENE) w(r296f) = k(r296f) * cqss(sqssC6H3) * c(sH) w(r297f) = k(r297f) * cqss(sqssC6H2) * c(sH) w(r298f) = k(r298f) * cqss(sqssC6H2) * c(sOH) w(r299f) = k(r299f) * cqss(sqssCH3C6H4) w(r1b) = k(r1b) * c(sH) * c(sOH) w(r2b) = k(r2b) * c(sH) * c(sH2O) w(r3b) = k(r3b) * c(sO) * c(sOH) w(r4b) = k(r4b) * c(sH2O) * m(mM4) w(r5b) = k(r5b) * c(sOH)**2.0_pr w(r6b) = k(r6b) * c(sOH)**2.0_pr w(r7b) = k(r7b) * c(sH2) * c(sO2) w(r8b) = k(r8b) * c(sO2) * c(sOH) w(r9b) = k(r9b) * c(sH2O) * c(sO2) w(r10b) = k(r10b) * c(sH2O) * c(sO2) w(r11b) = k(r11b) * c(sHO2) w(r12b) = k(r12b) * c(sCO2) w(r13b) = k(r13b) * c(sCO2) * c(sH) w(r14b) = k(r14b) * c(sCO2) * c(sH) w(r15b) = k(r15b) * c(sCH4) w(r16b) = k(r16b) * c(sCH3) * c(sH2) w(r17b) = k(r17b) * c(sCH3) * c(sOH) w(r18b) = k(r18b) * c(sCH3) * c(sH2O) w(r19b) = k(r19b) * c(sCH4) * c(sO2) w(r21b) = k(r21b) * c(sCO) * c(sH2O) w(r22b) = k(r22b) * c(sH) * cqss(sqssHCO) w(r23b) = k(r23b) * c(sCH3) * c(sH) w(r24b) = k(r24b) * cqss(sqssCH) * c(sH2) w(r25b) = k(r25b) * c(sCH2O) * c(sH) w(r26b) = k(r26b) * c(sCH2O) * c(sCO) w(r27b) = k(r27b) * cqss(sqssHCO) * c(sO) w(r28b) = k(r28b) * c(sCO) * c(sH) w(r29b) = k(r29b) * cqss(sqssC) * c(sH2) w(r30b) = k(r30b) * c(sH) * cqss(sqssHCO) w(r31b) = k(r31b) * c(sCO) * c(sH) w(r32b) = k(r32b) * c(sCO) * c(sO) w(r33b) = k(r33b) * c(sCH3OGL1G) * c(sO) w(r34b) = k(r34b) * c(sCH2O) * c(sOH) w(r35b) = k(r35b) * c(sCH2O) * c(sH) w(r36b) = k(r36b) * cqss(sqssCH2GSG) * c(sH2O) w(r37b) = k(r37b) * c(sCH3OGL1G) * c(sH) w(r38b) = k(r38b) * c(sCH3OGL1G) * c(sH) w(r39b) = k(r39b) * c(sCH3OGL1G) * c(sOH) w(r40b) = k(r40b) * c(sCH2O) * c(sHO2) w(r41b) = k(r41b) * c(sCH2O) * c(sHO2) w(r42b) = k(r42b) * c(sCH2O)**2.0_pr w(r43b) = k(r43b) * c(sCH2O) * c(sH2O) w(r44b) = k(r44b) * c(sCH2O) * c(sHO2) w(r45b) = k(r45b) * c(sCH2O) * c(sH2) w(r46b) = k(r46b) * c(sCH2O) * c(sCH4) w(r47b) = k(r47b) * c(sCH2O) w(r48b) = k(r48b) * c(sCH2O) w(r49b) = k(r49b) * cqss(sqssHCO) * c(sHO2) w(r50b) = k(r50b) * cqss(sqssHCO) * c(sOH) w(r51b) = k(r51b) * c(sH2) * cqss(sqssHCO) w(r52b) = k(r52b) * c(sH2O) * cqss(sqssHCO) w(r53b) = k(r53b) * c(sCH4) * cqss(sqssHCO) w(r54b) = k(r54b) * c(sCO) * c(sH) * m(mM54) w(r55b) = k(r55b) * c(sCO) * c(sHO2) w(r56b) = k(r56b) * c(sCO) * c(sOH) w(r57b) = k(r57b) * c(sCO) * c(sH2) w(r58b) = k(r58b) * c(sCO) * c(sH2O) w(r59b) = k(r59b) * c(sCH4) * c(sCO) w(r60b) = k(r60b) * c(sCO2) * c(sH) w(r62b) = k(r62b) * c(sCH3OGL1G) w(r63b) = k(r63b) * c(sCH2O) * c(sH) w(r64b) = k(r64b) * cqss(sqssC2H6) w(r65b) = k(r65b) * cqss(sqssC2H6) w(r66b) = k(r66b) * c(sC2H5) * c(sOH) w(r67b) = k(r67b) * c(sC2H5) * c(sH2) w(r68b) = k(r68b) * c(sC2H5) * c(sH2O) w(r69b) = k(r69b) * c(sC2H5) * c(sCH4) w(r70b) = k(r70b) * c(sC2H5) w(r71b) = k(r71b) * c(sC2H4) * c(sH2) w(r72b) = k(r72b) * cqss(sqssC2H3) * c(sC2H5) w(r73b) = k(r73b) * c(sC2H4) * c(sCH4) w(r74b) = k(r74b) * c(sC2H5) * c(sH) w(r75b) = k(r75b) * c(sC2H4) * c(sHO2) w(r76b) = k(r76b) * c(sC2H2) * c(sH2) * m(mM76) w(r77b) = k(r77b) * cqss(sqssC2H3) * c(sH2) w(r78b) = k(r78b) * cqss(sqssC2H3) * c(sH2O) w(r79b) = k(r79b) * cqss(sqssC2H3) * c(sCH4) w(r80b) = k(r80b) * cqss(sqssC2H3) * c(sCH4) w(r81b) = k(r81b) * c(sCH3) * cqss(sqssHCO) w(r82b) = k(r82b) * cqss(sqssCH2CHO) * c(sH) w(r83b) = k(r83b) * c(sC2H4) * c(sH) w(r84b) = k(r84b) * cqss(sqssC2H3) w(r85b) = k(r85b) * cqss(sqssCH2CHO) * c(sO) w(r86b) = k(r86b) * cqss(sqssCH2CHO) * c(sO) w(r87b) = k(r87b) * c(sC2H2) * c(sHO2) w(r88b) = k(r88b) * c(sC2H2) * c(sHO2) w(r89b) = k(r89b) * cqss(sqssCH2CO) * c(sOH) w(r90b) = k(r90b) * cqss(sqssCH2CO) * c(sOH) w(r91b) = k(r91b) * c(sCH2O) * cqss(sqssHCO) w(r92b) = k(r92b) * c(sCH2O) * cqss(sqssHCO) w(r95b) = k(r95b) * c(sCH3OGL1G) * c(sCO) w(r96b) = k(r96b) * c(sCH3OGL1G) * c(sCO) w(r97b) = k(r97b) * c(sCH3) * c(sCO2) w(r98b) = k(r98b) * c(sCH3) * c(sCO2) w(r99b) = k(r99b) * c(sC2H2) * c(sH2) w(r100b) = k(r100b) * c(sC2H2) * c(sH2O) w(r101b) = k(r101b) * c(sH) * cqss(sqssHCCO) w(r102b) = k(r102b) * cqss(sqssC2H3) * c(sCO) w(r103b) = k(r103b) * cqss(sqssC3H3) * c(sH) w(r104b) = k(r104b) * cqss(sqssC2H) * c(sH2O) w(r105b) = k(r105b) * cqss(sqssCH2CO) * c(sH) w(r106b) = k(r106b) * c(sCH3) * c(sCO) w(r107b) = k(r107b) * c(sCO) * cqss(sqssHCO) w(r108b) = k(r108b) * cqss(sqssCH) * c(sCO) w(r109b) = k(r109b) * c(sC2H2) * c(sH) w(r110b) = k(r110b) * c(sH) * cqss(sqssHCCO) w(r111b) = k(r111b) * cqss(sqssCH2CO) * c(sH) w(r112b) = k(r112b) * c(sCH3) * c(sCO) w(r113b) = k(r113b) * cqss(sqssCH2CO) * c(sH) w(r114b) = k(r114b) * c(sCH3) * c(sCO) w(r115b) = k(r115b) * cqss(sqssCH2CO) * c(sH) w(r116b) = k(r116b) * c(sCH3OGL1G) * c(sCO) w(r119b) = k(r119b) * cqss(sqssHCCO) * m(mM119) w(r120b) = k(r120b) * cqss(sqssCH2GSG) * c(sCO) w(r123b) = k(r123b) * c(sC2H5) * c(sCH3) w(r124b) = k(r124b) * c(sC3H6) * c(sH2O) w(r126b) = k(r126b) * c(sC3H6) w(r127b) = k(r127b) * c(sC3H6) w(r128b) = k(r128b) * c(sC3H6) w(r129b) = k(r129b) * cqss(sqssC3H5XA) * c(sH) w(r130b) = k(r130b) * cqss(sqssC3H5XA) * c(sH) w(r131b) = k(r131b) * cqss(sqssC2H3) * c(sCH3) w(r132b) = k(r132b) * cqss(sqssC2H3) * c(sCH3) w(r133b) = k(r133b) * cqss(sqssC3H5XA) * c(sH) w(r134b) = k(r134b) * cqss(sqssC3H5XA) * c(sH) w(r135b) = k(r135b) * cqss(sqssC2H3) * c(sCH3) w(r136b) = k(r136b) * cqss(sqssC2H3) * c(sCH3) w(r137b) = k(r137b) * cqss(sqssC3H5XA) * c(sH) w(r138b) = k(r138b) * cqss(sqssC3H5XA) * c(sH) w(r139b) = k(r139b) * cqss(sqssC3H5XA) * c(sH2) w(r140b) = k(r140b) * cqss(sqssC3H5XA) * c(sHO2) w(r141b) = k(r141b) * cqss(sqssC3H5XA) * c(sOH) w(r142b) = k(r142b) * cqss(sqssC3H5XA) * c(sH2O) w(r143b) = k(r143b) * cqss(sqssC3H5XA) * c(sCH4) w(r144b) = k(r144b) * c(sC2H5) * cqss(sqssHCO) w(r146b) = k(r146b) * c(sC3H7GL1G) w(r147b) = k(r147b) * c(sC3H7GL1G) w(r148b) = k(r148b) * c(sC2H4) * c(sCH3) w(r149b) = k(r149b) * c(sC2H4) * c(sCH3) w(r150b) = k(r150b) * c(sC3H7GL1G) w(r151b) = k(r151b) * c(sC3H7GL1G) w(r152b) = k(r152b) * c(sC3H7GL1G) w(r153b) = k(r153b) * c(sC3H7GL1G) w(r154b) = k(r154b) * c(sC3H7GL1G) * c(sO2) w(r155b) = k(r155b) * c(sC3H4XA) * c(sH2) w(r156b) = k(r156b) * c(sC3H4XA) * c(sH2O) w(r157b) = k(r157b) * c(sC3H4XA) * c(sCH4) w(r158b) = k(r158b) * cqss(sqssC3H3) * c(sH2) w(r159b) = k(r159b) * cqss(sqssC3H3) * c(sH2O) w(r160b) = k(r160b) * cqss(sqssC3H3) * c(sCH4) w(r161b) = k(r161b) * cqss(sqssC3H5XA) w(r162b) = k(r162b) * cqss(sqssC3H5XA) w(r163b) = k(r163b) * c(sC2H2) * c(sCH3) w(r164b) = k(r164b) * c(sC2H2) * c(sCH3) w(r165b) = k(r165b) * c(sC2H4) * c(sCO) w(r166b) = k(r166b) * c(sC2H2) * c(sCH2O) w(r167b) = k(r167b) * cqss(sqssC2H) * c(sCH2O) w(r169b) = k(r169b) * cqss(sqssC3H2) * c(sH2) w(r170b) = k(r170b) * cqss(sqssC3H2) * c(sH2O) w(r171b) = k(r171b) * c(sC2H2) * c(sCH2O) w(r172b) = k(r172b) * c(sC2H4) * c(sCO) w(r173b) = k(r173b) * c(sC3H6) * c(sHO2) w(r174b) = k(r174b) * c(sC4H8X1) * c(sHO2) w(r175b) = k(r175b) * c(sC3H6) * c(sCH3) w(r176b) = k(r176b) * c(sC3H6) * c(sCH3) w(r177b) = k(r177b) * c(sC4H8X1) w(r178b) = k(r178b) * c(sC4H8X1) w(r179b) = k(r179b) * cqss(sqssC4H71X3) * c(sH2O) w(r180b) = k(r180b) * cqss(sqssC4H71X3) * c(sOH) w(r181b) = k(r181b) * cqss(sqssC4H71X3) * c(sHO2) w(r182b) = k(r182b) * cqss(sqssC4H6) * c(sH) w(r183b) = k(r183b) * c(sC2H4) * c(sC2H5) w(r184b) = k(r184b) * c(sC2H4) * c(sC2H5) w(r185b) = k(r185b) * c(sC3H6) * c(sCH3) w(r186b) = k(r186b) * c(sC3H6) * c(sCH3) w(r187b) = k(r187b) * cqss(sqssPC4H9) w(r188b) = k(r188b) * cqss(sqssPC4H9) w(r189b) = k(r189b) * c(sC2H4) * c(sC2H5) w(r190b) = k(r190b) * c(sC3H6) * c(sCH3) w(r191b) = k(r191b) * c(sC3H7GL1G) * cqss(sqssHCO) w(r193b) = k(r193b) * cqss(sqssC4H6) * c(sH2) w(r194b) = k(r194b) * cqss(sqssC2H3) * c(sC2H4) w(r195b) = k(r195b) * cqss(sqssC3H5XA) * c(sCH2O) w(r196b) = k(r196b) * c(sC3H4XA) * c(sCH2O) w(r205b) = k(r205b) * c(sC3H4XA) * c(sOH) w(r206b) = k(r206b) * c(sCO) * c(sH) * cqss(sqssHCO) w(r207b) = k(r207b) * c(sCO2) * cqss(sqssHCO) w(r208b) = k(r208b) * cqss(sqssHCCO) * c(sO) w(r209b) = k(r209b) * c(sHO2) * m(mM209) w(r210b) = k(r210b) * cqss(sqssCH) * c(sCO2) w(r211b) = k(r211b) * cqss(sqssC) * c(sH2O) w(r214b) = k(r214b) * c(sCO) * c(sH) w(r215b) = k(r215b) * c(sC2H2) * cqss(sqssHCO) w(r216b) = k(r216b) * cqss(sqssC2H3) * c(sH) w(r217b) = k(r217b) * c(sC2H2) * c(sH) w(r218b) = k(r218b) * c(sCH3)**2.0_pr w(r220b) = k(r220b) * cqss(sqssC3H2) * c(sH) w(r223b) = k(r223b) * cqss(sqssC3H2) * c(sH) w(r224b) = k(r224b) * c(sC2H4) * c(sH2) w(r225b) = k(r225b) * c(sC3H4XA) * c(sH2) w(r226b) = k(r226b) * cqss(sqssC4H6) w(r227b) = k(r227b) * c(sC4H8X1) w(r228b) = k(r228b) * c(sC3H4XA) w(r232b) = k(r232b) * c(sCH3) * c(sCO2) w(r243b) = k(r243b) * c(sC3H6) w(r255b) = k(r255b) * c(sC2H5) * cqss(sqssC3H5XA) w(r256b) = k(r256b) * cqss(sqssC4H71X3) * c(sCH3) w(r257b) = k(r257b) * cqss(sqssC2H3) * c(sC3H7GL1G) w(r258b) = k(r258b) * c(sNC5H11) w(r260b) = k(r260b) * c(sCH3) * c(sNC5H10) w(r261b) = k(r261b) * cqss(sqssC2H3) * c(sC2H4) w(r263b) = k(r263b) * c(sNC7H15) w(r264b) = k(r264b) * c(sC2H4) * c(sNC5H11) w(r265b) = k(r265b) * c(sC3H6) * cqss(sqssPC4H9) w(r266b) = k(r266b) * c(sC3H7GL1G) * c(sC4H8X1) w(r267b) = k(r267b) * c(sC2H5) * c(sNC5H10) w(r278b) = k(r278b) * cqss(sqssC6H4O2) * c(sCH3) w(r279b) = k(r279b) * c(sH) * c(sRXYLENE) w(r280b) = k(r280b) * c(sCH3) * cqss(sqssCH3C6H4) w(r282b) = k(r282b) * c(sHO2) * c(sRXYLENE) w(r296b) = k(r296b) * c(sC6H4) w(r297b) = k(r297b) * cqss(sqssC6H3) w(r299b) = k(r299b) * c(sC6H4) * c(sCH3) return end subroutine get_reaction_rates ! ----------------------------------------------- ! ! Evaluate production rates ! ! ----------------------------------------------- ! subroutine get_production_rates(cdot,w) implicit none real(pr), dimension(nspec) :: cdot real(pr), dimension(nreac + nreac_reverse) :: w cdot(sN2) = 0.0_pr cdot(sH2) = 0.0_pr & - w(r1f) & + w(r1b) & - w(r2f) & + w(r2b) & + w(r7f) & - w(r7b) & + w(r16f) & - w(r16b) & - w(r23f) & + w(r23b) & + w(r24f) & - w(r24b) & + w(r29f) & - w(r29b) & + w(r45f) & - w(r45b) & - w(r48f) & + w(r48b) & + w(r51f) & - w(r51b) & + w(r57f) & - w(r57b) & + w(r67f) & - w(r67b) & + w(r71f) & - w(r71b) & + w(r76f) & - w(r76b) & + w(r77f) & - w(r77b) & + w(r99f) & - w(r99b) & - w(r109f) & + w(r109b) & + w(r117f) & + w(r139f) & - w(r139b) & + w(r155f) & - w(r155b) & + w(r158f) & - w(r158b) & + w(r169f) & - w(r169b) & + w(r193f) & - w(r193b) & + w(r219f) & + w(r224f) & - w(r224b) & + w(r225f) & - w(r225b) & - w(r244f) & + w(r249f) & + w(r252f) & + w(r273f) & + w(r285f) & + w(r287f) & + w(r292f) cdot(sH) = 0.0_pr & + w(r1f) & - w(r1b) & + w(r2f) & - w(r2b) & - w(r3f) & + w(r3b) & - w(r4f) & + w(r4b) & - w(r6f) & + w(r6b) & - w(r7f) & + w(r7b) & - w(r11f) & + w(r11b) & + w(r13f) & - w(r13b) & + w(r14f) & - w(r14b) & - w(r15f) & + w(r15b) & - w(r16f) & + w(r16b) & + w(r20f) & + w(r22f) & - w(r22b) & + w(r23f) & - w(r23b) & - w(r24f) & + w(r24b) & + w(r25f) & - w(r25b) & + w(r28f) & - w(r28b) & - w(r29f) & + w(r29b) & + w(r30f) & - w(r30b) & + w(r31f) & - w(r31b) & + w(r35f) & - w(r35b) & + w(r37f) & - w(r37b) & + w(r38f) & - w(r38b) & - w(r45f) & + w(r45b) & - w(r47f) & + w(r47b) & - w(r51f) & + w(r51b) & + w(r54f) & - w(r54b) & - w(r57f) & + w(r57b) & + w(r60f) & - w(r60b) & + w(r61f) & - w(r62f) & + w(r62b) & + w(r63f) & - w(r63b) & - w(r65f) & + w(r65b) & - w(r67f) & + w(r67b) & - w(r70f) & + w(r70b) & - w(r71f) & + w(r71b) & + w(r74f) & - w(r74b) & - w(r77f) & + w(r77b) & + w(r82f) & - w(r82b) & + w(r83f) & - w(r83b) & - w(r84f) & + w(r84b) & + w(r93f) & + w(r94f) & - w(r99f) & + w(r99b) & + w(r101f) & - w(r101b) & + w(r103f) & - w(r103b) & + w(r105f) & - w(r105b) & + w(r109f) & - w(r109b) & + w(r110f) & - w(r110b) & + w(r111f) & - w(r111b) & + w(r113f) & - w(r113b) & - w(r114f) & + w(r114b) & + w(r115f) & - w(r115b) & + w(r118f) & - w(r120f) & + w(r120b) & + w(r122f) & - w(r123f) & + w(r123b) & + w(r129f) & - w(r129b) & + w(r130f) & - w(r130b) & + w(r133f) & - w(r133b) & + w(r134f) & - w(r134b) & + w(r137f) & - w(r137b) & + w(r138f) & - w(r138b) & - w(r139f) & + w(r139b) & + w(r145f) & - w(r146f) & + w(r146b) & - w(r147f) & + w(r147b) & - w(r148f) & + w(r148b) & - w(r149f) & + w(r149b) & - w(r150f) & + w(r150b) & - w(r151f) & + w(r151b) & - w(r155f) & + w(r155b) & - w(r158f) & + w(r158b) & - w(r161f) & + w(r161b) & - w(r162f) & + w(r162b) & - w(r163f) & + w(r163b) & - w(r164f) & + w(r164b) & - w(r169f) & + w(r169b) & - w(r175f) & + w(r175b) & - w(r176f) & + w(r176b) & - w(r178f) & + w(r178b) & + w(r182f) & - w(r182b) & - w(r183f) & + w(r183b) & - w(r184f) & + w(r184b) & - w(r185f) & + w(r185b) & - w(r186f) & + w(r186b) & - w(r187f) & + w(r187b) & - w(r188f) & + w(r188b) & + w(r192f) & - w(r194f) & + w(r194b) & + w(r204f) & + w(r206f) & - w(r206b) & + 2.0_pr * w(r214f) & - 2.0_pr * w(r214b) & + w(r216f) & - w(r216b) & + w(r217f) & - w(r217b) & + w(r220f) & - w(r220b) & + w(r223f) & - w(r223b) & - w(r228f) & + w(r228b) & + 2.0_pr * w(r230f) & - w(r243f) & + w(r243b) & + w(r244f) & - w(r249f) & - w(r252f) & - w(r258f) & + w(r258b) & - w(r263f) & + w(r263b) & - w(r273f) & + w(r279f) & - w(r279b) & - w(r285f) & - w(r287f) & - w(r292f) & - w(r296f) & + w(r296b) & - w(r297f) & + w(r297b) cdot(sO2) = 0.0_pr & - w(r3f) & + w(r3b) & + w(r7f) & - w(r7b) & + w(r8f) & - w(r8b) & + w(r9f) & - w(r9b) & + w(r10f) & - w(r10b) & - w(r11f) & + w(r11b) & + w(r19f) & - w(r19b) & - w(r20f) & - w(r21f) & + w(r21b) & - w(r27f) & + w(r27b) & - w(r32f) & + w(r32b) & - w(r33f) & + w(r33b) & - w(r34f) & + w(r34b) & - w(r40f) & + w(r40b) & - w(r41f) & + w(r41b) & - w(r44f) & + w(r44b) & - w(r49f) & + w(r49b) & - w(r55f) & + w(r55b) & - w(r75f) & + w(r75b) & - w(r85f) & + w(r85b) & - w(r86f) & + w(r86b) & - w(r87f) & + w(r87b) & - w(r88f) & + w(r88b) & - w(r89f) & + w(r89b) & - w(r90f) & + w(r90b) & - w(r91f) & + w(r91b) & - w(r92f) & + w(r92b) & - w(r93f) & - w(r94f) & - w(r95f) & + w(r95b) & - w(r96f) & + w(r96b) & - w(r97f) & + w(r97b) & - w(r98f) & + w(r98b) & - w(r107f) & + w(r107b) & - w(r121f) & - w(r122f) & - w(r140f) & + w(r140b) & + w(r154f) & - w(r154b) & - w(r173f) & + w(r173b) & - w(r174f) & + w(r174b) & - w(r181f) & + w(r181b) & - w(r197f) & - w(r201f) & - w(r202f) & - w(r203f) & - w(r207f) & + w(r207b) & - w(r208f) & + w(r208b) & - w(r210f) & + w(r210b) & - w(r212f) & - w(r233f) & - w(r234f) & - w(r236f) & - w(r259f) & - w(r268f) & - w(r278f) & + w(r278b) & - w(r282f) & + w(r282b) cdot(sO) = 0.0_pr & - w(r1f) & + w(r1b) & + w(r3f) & - w(r3b) & - w(r5f) & + w(r5b) & - w(r8f) & + w(r8b) & - w(r12f) & + w(r12b) & - w(r17f) & + w(r17b) & - w(r22f) & + w(r22b) & + w(r27f) & - w(r27b) & - w(r28f) & + w(r28b) & + w(r32f) & - w(r32b) & + w(r33f) & - w(r33b) & - w(r35f) & + w(r35b) & - w(r50f) & + w(r50b) & - w(r56f) & + w(r56b) & - w(r60f) & + w(r60b) & - w(r66f) & + w(r66b) & - w(r81f) & + w(r81b) & - w(r82f) & + w(r82b) & + w(r85f) & - w(r85b) & + w(r86f) & - w(r86b) & - w(r101f) & + w(r101b) & - w(r108f) & + w(r108b) & - w(r113f) & + w(r113b) & - w(r118f) & - w(r141f) & + w(r141b) & - w(r144f) & + w(r144b) & - w(r145f) & - w(r165f) & + w(r165b) & - w(r166f) & + w(r166b) & - w(r167f) & + w(r167b) & - w(r180f) & + w(r180b) & - w(r191f) & + w(r191b) & - w(r192f) & - w(r196f) & + w(r196b) & - w(r198f) & - w(r199f) & + w(r208f) & - w(r208b) & - w(r209f) & + w(r209b) & - w(r214f) & + w(r214b) & - w(r229f) & - w(r230f) & - w(r237f) & - w(r238f) & - w(r239f) & - w(r245f) & - w(r246f) & - w(r247f) & - w(r250f) & - w(r276f) & - w(r283f) & - w(r288f) & - w(r290f) & - w(r294f) cdot(sH2O) = 0.0_pr & + w(r2f) & - w(r2b) & + w(r4f) & - w(r4b) & - w(r5f) & + w(r5b) & + w(r9f) & - w(r9b) & + w(r10f) & - w(r10b) & + w(r18f) & - w(r18b) & + w(r21f) & - w(r21b) & + w(r36f) & - w(r36b) & + w(r43f) & - w(r43b) & + w(r52f) & - w(r52b) & + w(r58f) & - w(r58b) & + w(r68f) & - w(r68b) & + w(r78f) & - w(r78b) & + w(r100f) & - w(r100b) & + w(r104f) & - w(r104b) & + w(r124f) & - w(r124b) & + w(r142f) & - w(r142b) & + w(r156f) & - w(r156b) & + w(r159f) & - w(r159b) & + w(r170f) & - w(r170b) & + w(r179f) & - w(r179b) & + w(r211f) & - w(r211b) & - w(r248f) & + w(r251f) & + w(r277f) & + w(r289f) & + w(r291f) & + w(r295f) cdot(sOH) = 0.0_pr & + w(r1f) & - w(r1b) & - w(r2f) & + w(r2b) & + w(r3f) & - w(r3b) & - w(r4f) & + w(r4b) & + 2.0_pr * w(r5f) & - 2.0_pr * w(r5b) & + 2.0_pr * w(r6f) & - 2.0_pr * w(r6b) & + w(r8f) & - w(r8b) & - w(r9f) & + w(r9b) & - w(r10f) & + w(r10b) & - w(r13f) & + w(r13b) & - w(r14f) & + w(r14b) & + w(r17f) & - w(r17b) & - w(r18f) & + w(r18b) & + w(r20f) & - w(r25f) & + w(r25b) & - w(r30f) & + w(r30b) & - w(r31f) & + w(r31b) & + w(r34f) & - w(r34b) & - w(r36f) & + w(r36b) & - w(r37f) & + w(r37b) & - w(r38f) & + w(r38b) & + w(r39f) & - w(r39b) & - w(r43f) & + w(r43b) & + w(r50f) & - w(r50b) & - w(r52f) & + w(r52b) & + w(r56f) & - w(r56b) & - w(r58f) & + w(r58b) & + w(r61f) & + w(r66f) & - w(r66b) & - w(r68f) & + w(r68b) & - w(r78f) & + w(r78b) & + w(r89f) & - w(r89b) & + w(r90f) & - w(r90b) & - w(r100f) & + w(r100b) & - w(r104f) & + w(r104b) & - w(r105f) & + w(r105b) & - w(r106f) & + w(r106b) & - w(r110f) & + w(r110b) & - w(r116f) & + w(r116b) & - w(r117f) & + w(r121f) & - w(r124f) & + w(r124b) & + w(r125f) & + w(r141f) & - w(r141b) & - w(r142f) & + w(r142b) & - w(r156f) & + w(r156b) & - w(r159f) & + w(r159b) & + w(r168f) & - w(r170f) & + w(r170b) & - w(r171f) & + w(r171b) & - w(r172f) & + w(r172b) & - w(r179f) & + w(r179b) & + w(r180f) & - w(r180b) & - w(r195f) & + w(r195b) & - w(r200f) & + w(r202f) & + w(r205f) & - w(r205b) & - w(r206f) & + w(r206b) & - w(r209f) & + w(r209b) & - w(r211f) & + w(r211b) & + w(r213f) & - w(r215f) & + w(r215b) & + w(r236f) & + w(r240f) & - w(r241f) & - w(r242f) & + w(r245f) & + w(r246f) & + w(r247f) & + w(r248f) & + w(r250f) & - w(r251f) & + w(r276f) & - w(r277f) & + w(r284f) & + w(r288f) & - w(r289f) & + w(r290f) & - w(r291f) & + w(r294f) & - w(r295f) & - w(r298f) cdot(sHO2) = 0.0_pr & - w(r6f) & + w(r6b) & - w(r7f) & + w(r7b) & - w(r8f) & + w(r8b) & - w(r9f) & + w(r9b) & - w(r10f) & + w(r10b) & + w(r11f) & - w(r11b) & - w(r19f) & + w(r19b) & - w(r39f) & + w(r39b) & + w(r40f) & - w(r40b) & + w(r41f) & - w(r41b) & + w(r44f) & - w(r44b) & + w(r49f) & - w(r49b) & + w(r55f) & - w(r55b) & - w(r61f) & + w(r75f) & - w(r75b) & + w(r87f) & - w(r87b) & + w(r88f) & - w(r88b) & - w(r125f) & + w(r140f) & - w(r140b) & - w(r154f) & + w(r154b) & - w(r168f) & + w(r173f) & - w(r173b) & + w(r174f) & - w(r174b) & + w(r181f) & - w(r181b) & + w(r203f) & + w(r209f) & - w(r209b) & - w(r213f) & - w(r231f) & - w(r240f) & + w(r259f) & + w(r268f) & + w(r282f) & - w(r282b) & - w(r284f) cdot(sCO) = 0.0_pr & - w(r12f) & + w(r12b) & - w(r13f) & + w(r13b) & - w(r14f) & + w(r14b) & + w(r20f) & + w(r21f) & - w(r21b) & + w(r26f) & - w(r26b) & + w(r28f) & - w(r28b) & + w(r31f) & - w(r31b) & + w(r32f) & - w(r32b) & - w(r48f) & + w(r48b) & + w(r54f) & - w(r54b) & + w(r55f) & - w(r55b) & + w(r56f) & - w(r56b) & + w(r57f) & - w(r57b) & + w(r58f) & - w(r58b) & + w(r59f) & - w(r59b) & + w(r93f) & + w(r94f) & + w(r95f) & - w(r95b) & + w(r96f) & - w(r96b) & + w(r102f) & - w(r102b) & + w(r106f) & - w(r106b) & + w(r107f) & - w(r107b) & + w(r108f) & - w(r108b) & + w(r112f) & - w(r112b) & + w(r114f) & - w(r114b) & + w(r116f) & - w(r116b) & + 2.0_pr * w(r117f) & + 2.0_pr * w(r118f) & - w(r119f) & + w(r119b) & + w(r120f) & - w(r120b) & + 2.0_pr * w(r121f) & + w(r122f) & + w(r165f) & - w(r165b) & + w(r168f) & + w(r172f) & - w(r172b) & + w(r202f) & + w(r206f) & - w(r206b) & + w(r214f) & - w(r214b) & + w(r229f) & - w(r232f) & + w(r232b) & + w(r236f) & + 2.0_pr * w(r287f) & + 2.0_pr * w(r288f) & + 2.0_pr * w(r289f) & + w(r298f) cdot(sCO2) = 0.0_pr & + w(r12f) & - w(r12b) & + w(r13f) & - w(r13b) & + w(r14f) & - w(r14b) & - w(r26f) & + w(r26b) & + w(r60f) & - w(r60b) & + w(r61f) & + w(r97f) & - w(r97b) & + w(r98f) & - w(r98b) & + w(r122f) & + w(r200f) & + w(r201f) & + w(r207f) & - w(r207b) & + w(r210f) & - w(r210b) & + w(r230f) & + w(r232f) & - w(r232b) & + w(r281f) cdot(sCH4) = 0.0_pr & + w(r15f) & - w(r15b) & - w(r16f) & + w(r16b) & - w(r17f) & + w(r17b) & - w(r18f) & + w(r18b) & + w(r19f) & - w(r19b) & + w(r46f) & - w(r46b) & + w(r53f) & - w(r53b) & + w(r59f) & - w(r59b) & + w(r69f) & - w(r69b) & + w(r73f) & - w(r73b) & + w(r79f) & - w(r79b) & + w(r80f) & - w(r80b) & + w(r143f) & - w(r143b) & + w(r157f) & - w(r157b) & + w(r160f) & - w(r160b) & - w(r218f) & + w(r218b) & + w(r253f) & + w(r274f) & + w(r286f) & + w(r293f) cdot(sCH3) = 0.0_pr & - w(r15f) & + w(r15b) & + w(r16f) & - w(r16b) & + w(r17f) & - w(r17b) & + w(r18f) & - w(r18b) & - w(r19f) & + w(r19b) & + w(r23f) & - w(r23b) & - w(r33f) & + w(r33b) & - w(r34f) & + w(r34b) & - w(r35f) & + w(r35b) & - w(r36f) & + w(r36b) & - w(r37f) & + w(r37b) & - w(r38f) & + w(r38b) & - w(r39f) & + w(r39b) & - w(r46f) & + w(r46b) & - w(r53f) & + w(r53b) & - w(r59f) & + w(r59b) & -2.0_pr * w(r64f) & + 2.0_pr * w(r64b) & - w(r69f) & + w(r69b) & - w(r73f) & + w(r73b) & -2.0_pr * w(r74f) & + 2.0_pr * w(r74b) & - w(r79f) & + w(r79b) & - w(r80f) & + w(r80b) & + w(r81f) & - w(r81b) & - w(r83f) & + w(r83b) & + w(r97f) & - w(r97b) & + w(r98f) & - w(r98b) & + w(r106f) & - w(r106b) & + w(r112f) & - w(r112b) & + w(r114f) & - w(r114b) & + w(r123f) & - w(r123b) & - w(r126f) & + w(r126b) & + w(r131f) & - w(r131b) & + w(r132f) & - w(r132b) & - w(r133f) & + w(r133b) & - w(r134f) & + w(r134b) & + w(r135f) & - w(r135b) & + w(r136f) & - w(r136b) & - w(r143f) & + w(r143b) & + w(r145f) & + w(r148f) & - w(r148b) & + w(r149f) & - w(r149b) & - w(r152f) & + w(r152b) & - w(r153f) & + w(r153b) & - w(r157f) & + w(r157b) & - w(r160f) & + w(r160b) & + w(r163f) & - w(r163b) & + w(r164f) & - w(r164b) & + w(r175f) & - w(r175b) & + w(r176f) & - w(r176b) & - w(r177f) & + w(r177b) & + w(r185f) & - w(r185b) & + w(r186f) & - w(r186b) & + w(r190f) & - w(r190b) & + w(r200f) & - w(r205f) & + w(r205b) & + w(r213f) & - w(r216f) & + w(r216b) & - w(r217f) & + w(r217b) & + 2.0_pr * w(r218f) & - 2.0_pr * w(r218b) & -2.0_pr * w(r219f) & - w(r221f) & + w(r222f) & + w(r232f) & - w(r232b) & - w(r253f) & + 0.2_pr * w(r254f) & + w(r256f) & - w(r256b) & + w(r260f) & - w(r260b) & + 0.5_pr * w(r262f) & - w(r274f) & + w(r278f) & - w(r278b) & + w(r280f) & - w(r280b) & - w(r286f) & - w(r293f) & + w(r299f) & - w(r299b) cdot(sCH2O) = 0.0_pr & + w(r25f) & - w(r25b) & + w(r26f) & - w(r26b) & + w(r34f) & - w(r34b) & + w(r35f) & - w(r35b) & + w(r40f) & - w(r40b) & + w(r41f) & - w(r41b) & + 2.0_pr * w(r42f) & - 2.0_pr * w(r42b) & + w(r43f) & - w(r43b) & + w(r44f) & - w(r44b) & + w(r45f) & - w(r45b) & + w(r46f) & - w(r46b) & + w(r47f) & - w(r47b) & + w(r48f) & - w(r48b) & - w(r49f) & + w(r49b) & - w(r50f) & + w(r50b) & - w(r51f) & + w(r51b) & - w(r52f) & + w(r52b) & - w(r53f) & + w(r53b) & - w(r62f) & + w(r62b) & + w(r63f) & - w(r63b) & + w(r91f) & - w(r91b) & + w(r92f) & - w(r92b) & + w(r93f) & + w(r94f) & - w(r115f) & + w(r115b) & + w(r125f) & + w(r166f) & - w(r166b) & + w(r167f) & - w(r167b) & + w(r171f) & - w(r171b) & + w(r195f) & - w(r195b) & + w(r196f) & - w(r196b) & + w(r197f) & + w(r201f) & + w(r212f) & + w(r213f) & - w(r230f) & + w(r231f) & + 2.0_pr * w(r233f) & + w(r236f) & + w(r238f) & + w(r239f) & + w(r283f) & + w(r284f) cdot(sC2H5) = 0.0_pr & - w(r65f) & + w(r65b) & + w(r66f) & - w(r66b) & + w(r67f) & - w(r67b) & + w(r68f) & - w(r68b) & + w(r69f) & - w(r69b) & + w(r70f) & - w(r70b) & - w(r71f) & + w(r71b) & + w(r72f) & - w(r72b) & - w(r73f) & + w(r73b) & + w(r74f) & - w(r74b) & - w(r75f) & + w(r75b) & + w(r123f) & - w(r123b) & + w(r125f) & + w(r144f) & - w(r144b) & + w(r183f) & - w(r183b) & + w(r184f) & - w(r184b) & + w(r189f) & - w(r189b) & + w(r192f) & - w(r212f) & - w(r213f) & + 0.55_pr * w(r254f) & + w(r255f) & - w(r255b) & - w(r260f) & + w(r260b) & + 0.5_pr * w(r262f) & + w(r267f) & - w(r267b) & + 0.5_pr * w(r269f) & - w(r275f) cdot(sC2H4) = 0.0_pr & - w(r70f) & + w(r70b) & + w(r71f) & - w(r71b) & -2.0_pr * w(r72f) & + 2.0_pr * w(r72b) & + w(r73f) & - w(r73b) & + w(r75f) & - w(r75b) & - w(r76f) & + w(r76b) & - w(r77f) & + w(r77b) & - w(r78f) & + w(r78b) & - w(r79f) & + w(r79b) & - w(r80f) & + w(r80b) & - w(r81f) & + w(r81b) & - w(r82f) & + w(r82b) & + w(r83f) & - w(r83b) & - w(r127f) & + w(r127b) & - w(r128f) & + w(r128b) & - w(r129f) & + w(r129b) & - w(r130f) & + w(r130b) & - w(r131f) & + w(r131b) & - w(r132f) & + w(r132b) & + w(r148f) & - w(r148b) & + w(r149f) & - w(r149b) & - w(r152f) & + w(r152b) & - w(r153f) & + w(r153b) & + w(r165f) & - w(r165b) & + w(r172f) & - w(r172b) & + w(r183f) & - w(r183b) & + w(r184f) & - w(r184b) & + w(r189f) & - w(r189b) & + w(r194f) & - w(r194b) & + w(r219f) & + w(r224f) & - w(r224b) & - w(r226f) & + w(r226b) & -2.0_pr * w(r227f) & + 2.0_pr * w(r227b) & - w(r233f) & - w(r234f) & + w(r235f) & - w(r246f) & + 0.25_pr * w(r254f) & + w(r261f) & - w(r261b) & + w(r264f) & - w(r264b) & + 0.35_pr * w(r271f) & + 0.5_pr * w(r292f) & + 0.5_pr * w(r293f) & + 0.5_pr * w(r294f) & + 0.5_pr * w(r295f) cdot(sC2H2) = 0.0_pr & + w(r76f) & - w(r76b) & - w(r84f) & + w(r84b) & + w(r87f) & - w(r87b) & + w(r88f) & - w(r88b) & + w(r99f) & - w(r99b) & + w(r100f) & - w(r100b) & - w(r101f) & + w(r101b) & - w(r102f) & + w(r102b) & - w(r103f) & + w(r103b) & - w(r104f) & + w(r104b) & - w(r105f) & + w(r105b) & - w(r106f) & + w(r106b) & + w(r109f) & - w(r109b) & + w(r163f) & - w(r163b) & + w(r164f) & - w(r164b) & + w(r166f) & - w(r166b) & + w(r171f) & - w(r171b) & - w(r198f) & + w(r215f) & - w(r215b) & + w(r217f) & - w(r217b) & - w(r220f) & + w(r220b) & - w(r226f) & + w(r226b) & - w(r231f) & + w(r235f) & - w(r242f) & - w(r245f) & + w(r281f) & + w(r287f) & + w(r288f) & + w(r289f) cdot(sC3H6) = 0.0_pr & + w(r124f) & - w(r124b) & + w(r126f) & - w(r126b) & + w(r127f) & - w(r127b) & + w(r128f) & - w(r128b) & - w(r135f) & + w(r135b) & - w(r136f) & + w(r136b) & - w(r137f) & + w(r137b) & - w(r138f) & + w(r138b) & - w(r139f) & + w(r139b) & - w(r140f) & + w(r140b) & - w(r141f) & + w(r141b) & - w(r142f) & + w(r142b) & - w(r143f) & + w(r143b) & - w(r144f) & + w(r144b) & - w(r145f) & - w(r146f) & + w(r146b) & - w(r147f) & + w(r147b) & - w(r148f) & + w(r148b) & - w(r149f) & + w(r149b) & - w(r150f) & + w(r150b) & - w(r151f) & + w(r151b) & - w(r154f) & + w(r154b) & + w(r173f) & - w(r173b) & + w(r175f) & - w(r175b) & + w(r176f) & - w(r176b) & + w(r185f) & - w(r185b) & + w(r186f) & - w(r186b) & + w(r190f) & - w(r190b) & - w(r225f) & + w(r225b) & + w(r229f) & + w(r243f) & - w(r243b) & + 0.55_pr * w(r254f) & + w(r265f) & - w(r265b) & + 0.7_pr * w(r272f) cdot(sC3H4XA) = 0.0_pr & + w(r155f) & - w(r155b) & + w(r156f) & - w(r156b) & + w(r157f) & - w(r157b) & - w(r158f) & + w(r158b) & - w(r159f) & + w(r159b) & - w(r160f) & + w(r160b) & - w(r161f) & + w(r161b) & - w(r162f) & + w(r162b) & - w(r163f) & + w(r163b) & - w(r164f) & + w(r164b) & - w(r165f) & + w(r165b) & - w(r166f) & + w(r166b) & + w(r196f) & - w(r196b) & - w(r197f) & + w(r205f) & - w(r205b) & + w(r225f) & - w(r225b) & + w(r228f) & - w(r228b) & - w(r247f) cdot(sC4H8X1) = 0.0_pr & + w(r174f) & - w(r174b) & + w(r177f) & - w(r177b) & + w(r178f) & - w(r178b) & - w(r179f) & + w(r179b) & - w(r180f) & + w(r180b) & - w(r181f) & + w(r181b) & - w(r183f) & + w(r183b) & - w(r184f) & + w(r184b) & - w(r185f) & + w(r185b) & - w(r186f) & + w(r186b) & - w(r187f) & + w(r187b) & - w(r188f) & + w(r188b) & - w(r191f) & + w(r191b) & - w(r192f) & - w(r193f) & + w(r193b) & + w(r227f) & - w(r227b) & - w(r252f) & - w(r253f) & + 0.2_pr * w(r254f) & - w(r260f) & + w(r260b) & + w(r266f) & - w(r266b) & + 0.25_pr * w(r272f) cdot(sNC5H11) = 0.0_pr & - w(r254f) & + w(r258f) & - w(r258b) & - w(r259f) & + w(r264f) & - w(r264b) & + 0.5_pr * w(r270f) & + 0.25_pr * w(r271f) cdot(sNC5H10) = 0.0_pr & - w(r255f) & + w(r255b) & - w(r256f) & + w(r256b) & - w(r257f) & + w(r257b) & - w(r258f) & + w(r258b) & + w(r259f) & + w(r260f) & - w(r260b) & + w(r267f) & - w(r267b) & + 0.75_pr * w(r271f) cdot(sNC7H15) = 0.0_pr & + w(r263f) & - w(r263b) & - w(r264f) & + w(r264b) & - w(r265f) & + w(r265b) & - w(r266f) & + w(r266b) & - w(r267f) & + w(r267b) & - w(r268f) & + 0.5_pr * w(r269f) & + 0.9_pr * w(r270f) & + 0.75_pr * w(r271f) cdot(sNC7H14) = 0.0_pr & - w(r262f) & - w(r263f) & + w(r263b) & + w(r268f) & + 0.15_pr * w(r271f) & + 0.3_pr * w(r272f) cdot(sMCYC6) = 0.0_pr & - w(r272f) cdot(sNC12H26) = 0.0_pr & - w(r269f) & - w(r270f) & - w(r273f) & - w(r274f) & - w(r275f) & - w(r276f) & - w(r277f) cdot(sXYLENE) = 0.0_pr & - w(r279f) & + w(r279b) & - w(r280f) & + w(r280b) & - w(r282f) & + w(r282b) & - w(r285f) & - w(r286f) & - w(r290f) & - w(r291f) & - w(r292f) & - w(r293f) & - w(r294f) & - w(r295f) cdot(sRXYLENE) = 0.0_pr & + w(r279f) & - w(r279b) & + w(r282f) & - w(r282b) & - w(r283f) & - w(r284f) & + w(r285f) & + w(r286f) & + w(r290f) & + w(r291f) cdot(sC6H4) = 0.0_pr & + w(r296f) & - w(r296b) & + w(r299f) & - w(r299b) cdot(sC3H7GL1G) = 0.0_pr & - w(r123f) & + w(r123b) & - w(r124f) & + w(r124b) & - w(r125f) & + w(r146f) & - w(r146b) & + w(r147f) & - w(r147b) & + w(r150f) & - w(r150b) & + w(r151f) & - w(r151b) & + w(r152f) & - w(r152b) & + w(r153f) & - w(r153b) & + w(r154f) & - w(r154b) & - w(r173f) & + w(r173b) & + w(r191f) & - w(r191b) & + 0.25_pr * w(r254f) & + w(r257f) & - w(r257b) & + 0.5_pr * w(r262f) & + w(r266f) & - w(r266b) & + 0.5_pr * w(r269f) cdot(sCH3OGL1G) = 0.0_pr & + w(r33f) & - w(r33b) & + w(r37f) & - w(r37b) & + w(r38f) & - w(r38b) & + w(r39f) & - w(r39b) & - w(r40f) & + w(r40b) & - w(r41f) & + w(r41b) & - w(r42f) & + w(r42b) & - w(r43f) & + w(r43b) & - w(r44f) & + w(r44b) & - w(r45f) & + w(r45b) & - w(r46f) & + w(r46b) & + w(r62f) & - w(r62b) & - w(r63f) & + w(r63b) & + w(r95f) & - w(r95b) & + w(r96f) & - w(r96b) & + w(r116f) & - w(r116b) & + w(r212f) & - w(r232f) & + w(r232b) & + w(r234f) & + w(r241f) return end subroutine get_production_rates ! ----------------------------------------------- ! ! 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 + nreac_reverse) :: k real(pr), dimension(nTB + nFO) :: M integer :: index real(pr) :: CH2GSG_ct real(pr) :: CH2GSG_num real(pr) :: CH2GSG_denom real(pr) :: CH2GSG_CH real(pr) :: CH2GSG_HCO real(pr) :: CH2GSG_C2H3 real(pr) :: CH2GSG_HCCO real(pr) :: CH2GSG_C3H5XA real(pr) :: CH2GSG_C3H3 real(pr) :: C_ct real(pr) :: C_num real(pr) :: C_denom real(pr) :: C_CH real(pr) :: CH_ct real(pr) :: CH_num real(pr) :: CH_denom real(pr) :: CH_CH2GSG real(pr) :: CH_C real(pr) :: CH_HCO real(pr) :: CH_C2H3 real(pr) :: CH_C2H real(pr) :: CH_CH2CO real(pr) :: CH_HCCO real(pr) :: CH_C3H2 real(pr) :: HCO_ct real(pr) :: HCO_num real(pr) :: HCO_denom real(pr) :: HCO_CH2GSG real(pr) :: HCO_CH real(pr) :: HCO_C2H3 real(pr) :: HCO_C2H real(pr) :: HCO_CH2CHO real(pr) :: HCO_CH2CO real(pr) :: HCO_HCCO real(pr) :: HCO_C3H2 real(pr) :: C2H6_ct real(pr) :: C2H6_num real(pr) :: C2H6_denom real(pr) :: C2H3_ct real(pr) :: C2H3_num real(pr) :: C2H3_denom real(pr) :: C2H3_CH2GSG real(pr) :: C2H3_CH real(pr) :: C2H3_HCO real(pr) :: C2H3_CH2CHO real(pr) :: C2H3_CH2CO real(pr) :: C2H3_C3H5XA real(pr) :: C2H3_C3H3 real(pr) :: C2H3_C4H71X3 real(pr) :: C2H3_C4H6 real(pr) :: C2H_ct real(pr) :: C2H_num real(pr) :: C2H_denom real(pr) :: C2H_CH real(pr) :: C2H_HCO real(pr) :: C2H_HCCO real(pr) :: C2H_C3H3 real(pr) :: C2H_C6H4O2 real(pr) :: C2H_C6H2 real(pr) :: CH2CHO_ct real(pr) :: CH2CHO_num real(pr) :: CH2CHO_denom real(pr) :: CH2CHO_C2H3 real(pr) :: CH2CHO_CH2CO real(pr) :: CH2CO_ct real(pr) :: CH2CO_num real(pr) :: CH2CO_denom real(pr) :: CH2CO_CH real(pr) :: CH2CO_C2H3 real(pr) :: CH2CO_CH2CHO real(pr) :: CH2CO_HCCO real(pr) :: HCCO_ct real(pr) :: HCCO_num real(pr) :: HCCO_denom real(pr) :: HCCO_CH2GSG real(pr) :: HCCO_CH real(pr) :: HCCO_HCO real(pr) :: HCCO_C2H real(pr) :: HCCO_CH2CO real(pr) :: C3H5XA_ct real(pr) :: C3H5XA_num real(pr) :: C3H5XA_denom real(pr) :: C3H5XA_CH2GSG real(pr) :: C3H5XA_C2H3 real(pr) :: C3H5XA_C4H6 real(pr) :: C3H3_ct real(pr) :: C3H3_num real(pr) :: C3H3_denom real(pr) :: C3H3_CH2GSG real(pr) :: C3H3_C2H real(pr) :: C3H3_C3H2 real(pr) :: C3H3_C4H6 real(pr) :: C3H2_ct real(pr) :: C3H2_num real(pr) :: C3H2_denom real(pr) :: C3H2_CH real(pr) :: C3H2_HCO real(pr) :: C3H2_C3H3 real(pr) :: C3H2_C6H4O2 real(pr) :: C3H2_C6H2 real(pr) :: PC4H9_ct real(pr) :: PC4H9_num real(pr) :: PC4H9_denom real(pr) :: IC4H8_ct real(pr) :: IC4H8_num real(pr) :: IC4H8_denom real(pr) :: C4H71X3_ct real(pr) :: C4H71X3_num real(pr) :: C4H71X3_denom real(pr) :: C4H71X3_C2H3 real(pr) :: C4H71X3_C4H6 real(pr) :: C4H6_ct real(pr) :: C4H6_num real(pr) :: C4H6_denom real(pr) :: C4H6_C2H3 real(pr) :: C4H6_C3H5XA real(pr) :: C4H6_C3H3 real(pr) :: C4H6_C4H71X3 real(pr) :: CH3C6H4_ct real(pr) :: CH3C6H4_num real(pr) :: CH3C6H4_denom real(pr) :: CH3C6H4_C6H4O2 real(pr) :: NC12H25_ct real(pr) :: NC12H25_num real(pr) :: NC12H25_denom real(pr) :: C6H4O2_ct real(pr) :: C6H4O2_num real(pr) :: C6H4O2_denom real(pr) :: C6H4O2_CH3C6H4 real(pr) :: C6H2_ct real(pr) :: C6H2_num real(pr) :: C6H2_denom real(pr) :: C6H2_C6H3 real(pr) :: C6H3_ct real(pr) :: C6H3_num real(pr) :: C6H3_denom real(pr) :: C6H3_C6H2 real(pr) :: a_c_a real(pr) :: b_c_a real(pr) :: c_t_a real(pr) :: c_w_a real(pr) :: c_x_a real(pr) :: c_z_a real(pr) :: c_al_a real(pr) :: c_ay_a real(pr) :: c_bn_a real(pr) :: c_cl_a real(pr) :: c_co_a real(pr) :: c_cp_a real(pr) :: c_cr_a real(pr) :: c_dd_a real(pr) :: c_df_a real(pr) :: c_dq_a real(pr) :: c_eb_a real(pr) :: c_ee_a real(pr) :: c_ef_a real(pr) :: c_eh_a real(pr) :: c_ep_a real(pr) :: c_es_a real(pr) :: c_et_a real(pr) :: c_ev_a real(pr) :: c_fg_a real(pr) :: c_fr_a real(pr) :: c_fu_a real(pr) :: c_fv_a real(pr) :: c_fx_a real(pr) :: c_gi_a real(pr) :: c_gj_a real(pr) :: c_gl_a real(pr) :: c_al_b real(pr) :: c_ay_b real(pr) :: c_bh_b real(pr) :: c_bj_b real(pr) :: c_bk_b real(pr) :: c_bm_b real(pr) :: c_bn_b real(pr) :: c_bp_b real(pr) :: c_bq_b real(pr) :: c_bv_b real(pr) :: c_by_b real(pr) :: c_ce_b real(pr) :: c_cl_b real(pr) :: c_co_b real(pr) :: c_cp_b real(pr) :: c_cr_b real(pr) :: c_cx_b real(pr) :: c_dz_b real(pr) :: c_da_b real(pr) :: c_dc_b real(pr) :: c_dd_b real(pr) :: c_df_b real(pr) :: c_dg_b real(pr) :: c_dq_b real(pr) :: c_ez_b real(pr) :: c_eb_b real(pr) :: c_ec_b real(pr) :: c_ee_b real(pr) :: c_ef_b real(pr) :: c_eh_b real(pr) :: c_ei_b real(pr) :: c_en_b real(pr) :: c_ep_b real(pr) :: c_eq_b real(pr) :: c_es_b real(pr) :: c_et_b real(pr) :: c_ev_b real(pr) :: c_ew_b real(pr) :: c_fg_b real(pr) :: c_fk_b real(pr) :: c_fp_b real(pr) :: c_fr_b real(pr) :: c_fs_b real(pr) :: c_fu_b real(pr) :: c_fv_b real(pr) :: c_fx_b real(pr) :: c_fy_b real(pr) :: c_gd_b real(pr) :: c_gf_b real(pr) :: c_gg_b real(pr) :: c_gi_b real(pr) :: c_gj_b real(pr) :: c_gl_b real(pr) :: c_gm_b real(pr) :: c_bn_c real(pr) :: c_cp_c real(pr) :: c_dd_c real(pr) :: c_ef_c real(pr) :: c_et_c real(pr) :: c_fv_c real(pr) :: c_gj_c real(pr) :: c_bi_d real(pr) :: c_bm_d real(pr) :: c_bw_d real(pr) :: c_cz_d real(pr) :: c_ca_d real(pr) :: c_cc_d real(pr) :: c_co_d real(pr) :: c_cy_d real(pr) :: c_dc_d real(pr) :: c_dm_d real(pr) :: c_dp_d real(pr) :: c_dq_d real(pr) :: c_ds_d real(pr) :: c_ea_d real(pr) :: c_ed_d real(pr) :: c_ee_d real(pr) :: c_eg_d real(pr) :: c_es_d real(pr) :: c_fc_d real(pr) :: c_ff_d real(pr) :: c_fg_d real(pr) :: c_fi_d real(pr) :: c_fu_d real(pr) :: c_ge_d real(pr) :: c_gi_d real(pr) :: c_gk_d real(pr) :: c_bw_e real(pr) :: c_cb_e real(pr) :: c_cp_e real(pr) :: c_cy_e real(pr) :: c_dd_e real(pr) :: c_dm_e real(pr) :: c_ea_e real(pr) :: c_ef_e real(pr) :: c_eo_e real(pr) :: c_et_e real(pr) :: c_fc_e real(pr) :: c_fq_e real(pr) :: c_fv_e real(pr) :: c_ge_e real(pr) :: c_gj_e real(pr) :: c_da_f real(pr) :: c_dg_f real(pr) :: c_do_f real(pr) :: c_du_f real(pr) :: c_ec_f real(pr) :: c_ei_f real(pr) :: c_eq_f real(pr) :: c_ew_f real(pr) :: c_fe_f real(pr) :: c_fk_f real(pr) :: c_fs_f real(pr) :: c_fy_f real(pr) :: c_gg_f real(pr) :: c_gm_f real(pr) :: c_dc_g real(pr) :: c_dq_g real(pr) :: c_ee_g real(pr) :: c_es_g real(pr) :: c_fg_g real(pr) :: c_fu_g real(pr) :: c_gi_g real(pr) :: c_dr_h real(pr) :: c_dt_h real(pr) :: c_ef_h real(pr) :: c_eh_h real(pr) :: c_et_h real(pr) :: c_ev_h real(pr) :: c_fh_h real(pr) :: c_fj_h real(pr) :: c_fv_h real(pr) :: c_fx_h real(pr) :: c_gj_h real(pr) :: c_gl_h real(pr) :: c_ee_i real(pr) :: c_es_i real(pr) :: c_fg_i real(pr) :: c_fu_i real(pr) :: c_gi_i real(pr) :: c_et_j real(pr) :: c_eu_j real(pr) :: c_ew_j real(pr) :: c_fh_j real(pr) :: c_fi_j real(pr) :: c_fk_j real(pr) :: c_fv_j real(pr) :: c_fw_j real(pr) :: c_fy_j real(pr) :: c_gj_j real(pr) :: c_gk_j real(pr) :: c_gm_j real(pr) :: c_fj_k real(pr) :: c_fk_k real(pr) :: c_fx_k real(pr) :: c_fy_k real(pr) :: c_gl_k real(pr) :: c_gm_k real(pr) :: c_fy_l real(pr) :: c_gm_l real(pr) :: c_gm_m real(pr) :: A_A_A real(pr) :: B_A_A real(pr) :: C_A_A real(pr) :: C_B_A real(pr) :: C_C_A real(pr) :: C_D_A real(pr) :: C_E_A real(pr) :: C_F_A real(pr) :: C_G_A real(pr) :: C_H_A real(pr) :: C_I_A real(pr) :: C_J_A real(pr) :: C_K_A real(pr) :: C_L_A real(pr) :: C_M_A real(pr) :: C_B_B real(pr) :: C_C_B real(pr) :: C_D_B real(pr) :: C_E_B real(pr) :: C_F_B real(pr) :: C_G_B real(pr) :: C_H_B real(pr) :: C_I_B real(pr) :: C_J_B real(pr) :: C_K_B real(pr) :: C_L_B real(pr) :: C_M_B real(pr) :: C_C_C real(pr) :: C_D_C real(pr) :: C_E_C real(pr) :: C_F_C real(pr) :: C_G_C real(pr) :: C_H_C real(pr) :: C_I_C real(pr) :: C_J_C real(pr) :: C_K_C real(pr) :: C_L_C real(pr) :: C_M_C real(pr) :: C_D_D real(pr) :: C_E_D real(pr) :: C_F_D real(pr) :: C_G_D real(pr) :: C_H_D real(pr) :: C_I_D real(pr) :: C_J_D real(pr) :: C_K_D real(pr) :: C_L_D real(pr) :: C_M_D real(pr) :: C_E_E real(pr) :: C_F_E real(pr) :: C_G_E real(pr) :: C_H_E real(pr) :: C_I_E real(pr) :: C_J_E real(pr) :: C_K_E real(pr) :: C_L_E real(pr) :: C_M_E real(pr) :: C_F_F real(pr) :: C_G_F real(pr) :: C_H_F real(pr) :: C_I_F real(pr) :: C_J_F real(pr) :: C_K_F real(pr) :: C_L_F real(pr) :: C_M_F real(pr) :: C_G_G real(pr) :: C_H_G real(pr) :: C_I_G real(pr) :: C_J_G real(pr) :: C_K_G real(pr) :: C_L_G real(pr) :: C_M_G real(pr) :: C_H_H real(pr) :: C_I_H real(pr) :: C_J_H real(pr) :: C_K_H real(pr) :: C_L_H real(pr) :: C_M_H real(pr) :: C_I_I real(pr) :: C_J_I real(pr) :: C_K_I real(pr) :: C_L_I real(pr) :: C_M_I real(pr) :: C_J_J real(pr) :: C_K_J real(pr) :: C_L_J real(pr) :: C_M_J real(pr) :: C_K_K real(pr) :: C_L_K real(pr) :: C_M_K real(pr) :: C_L_L real(pr) :: C_M_L real(pr) :: C_M_M C2H6_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r66f)* c(sO) & + k(r67f)* c(sH) & + k(r68f)* c(sOH) & + k(r69f)* c(sCH3) & + k(r224f)& + k(r64b)& + k(r65b) ) C2H6_num = ( 0.0_pr & + k(r64f) *c(sCH3)** 2.0_pr& + k(r65f)* c(sC2H5) * c(sH) & + k(r275f)* c(sC2H5) * c(sNC12H26) & + k(r66b)* c(sC2H5) * c(sOH) & + k(r67b)* c(sC2H5) * c(sH2) & + k(r68b)* c(sC2H5) * c(sH2O) & + k(r69b)* c(sC2H5) * c(sCH4) & + k(r224b)* c(sC2H4) * c(sH2) ) C2H6_ct = C2H6_num / C2H6_denom cqss(sqssC2H6) = C2H6_ct PC4H9_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r174f)* c(sO2) & + k(r189f)& + k(r190f)& + k(r187b)& + k(r188b)& + k(r265b)* c(sC3H6) ) PC4H9_num = ( 0.0_pr & + k(r187f)* c(sC4H8X1) * c(sH) & + k(r188f)* c(sC4H8X1) * c(sH) & + k(r265f)* c(sNC7H15) & +0.5_pr * k(r270f)* c(sNC12H26) & + k(r174b)* c(sC4H8X1) * c(sHO2) & + k(r189b)* c(sC2H4) * c(sC2H5) & + k(r190b)* c(sC3H6) * c(sCH3) ) PC4H9_ct = PC4H9_num / PC4H9_denom cqss(sqssPC4H9) = PC4H9_ct IC4H8_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r175f)* c(sH) & + k(r176f)* c(sH) ) IC4H8_num = ( 0.0_pr & +0.45_pr * k(r272f)* c(sMCYC6) & + k(r175b)* c(sC3H6) * c(sCH3) & + k(r176b)* c(sC3H6) * c(sCH3) ) IC4H8_ct = IC4H8_num / IC4H8_denom cqss(sqssIC4H8) = IC4H8_ct C6H4O2_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r281f)& + k(r287f)* c(sH) & + k(r288f)* c(sO) & + k(r289f)* c(sOH) & + k(r278b)* c(sCH3) ) C6H4O2_num = ( 0.0_pr ) C6H4O2_ct = C6H4O2_num / C6H4O2_denom C6H4O2_CH3C6H4 = - ( 0.0_pr & + k(r278f) * c(sO2) ) / C6H4O2_denom CH3C6H4_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r278f)* c(sO2) & + k(r299f)& + k(r280b)* c(sCH3) ) CH3C6H4_num = ( 0.0_pr & + k(r280f)* c(sXYLENE) & + k(r283f)* c(sO) * c(sRXYLENE) & + k(r284f)* c(sHO2) * c(sRXYLENE) & + k(r292f)* c(sH) * c(sXYLENE) & + k(r293f)* c(sCH3) * c(sXYLENE) & + k(r294f)* c(sO) * c(sXYLENE) & + k(r295f)* c(sOH) * c(sXYLENE) & + k(r299b)* c(sC6H4) * c(sCH3) ) CH3C6H4_ct = CH3C6H4_num / CH3C6H4_denom CH3C6H4_C6H4O2 = - ( 0.0_pr & + k(r278b) * c(sCH3) ) / CH3C6H4_denom a_c_a = (1.0_pr) - (CH3C6H4_C6H4O2) * (C6H4O2_CH3C6H4) A_A_A = (C6H4O2_ct) - (CH3C6H4_ct) * (C6H4O2_CH3C6H4) cqss(sqssC6H4O2) = ( A_A_A ) / ( a_c_a ) cqss(sqssCH3C6H4) = CH3C6H4_ct - (CH3C6H4_C6H4O2) * cqss(sqssC6H4O2) NC12H25_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r271f) ) NC12H25_num = ( 0.0_pr & +0.5_pr * k(r269f)* c(sNC12H26) & +0.1_pr * k(r270f)* c(sNC12H26) & + k(r273f)* c(sH) * c(sNC12H26) & + k(r274f)* c(sCH3) * c(sNC12H26) & + k(r275f)* c(sC2H5) * c(sNC12H26) & + k(r276f)* c(sNC12H26) * c(sO) & + k(r277f)* c(sNC12H26) * c(sOH) ) NC12H25_ct = NC12H25_num / NC12H25_denom cqss(sqssNC12H25) = NC12H25_ct C6H2_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r297f)* c(sH) & + k(r298f)* c(sOH) ) C6H2_num = ( 0.0_pr ) C6H2_ct = C6H2_num / C6H2_denom C6H2_C6H3 = - ( 0.0_pr & + k(r297b) ) / C6H2_denom C6H3_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r296f)* c(sH) & + k(r297b) ) C6H3_num = ( 0.0_pr & + k(r296b)* c(sC6H4) ) C6H3_ct = C6H3_num / C6H3_denom C6H3_C6H2 = - ( 0.0_pr & + k(r297f) * c(sH) ) / C6H3_denom b_c_a = (1.0_pr) - (C6H3_C6H2) * (C6H2_C6H3) B_A_A = (C6H2_ct) - (C6H3_ct) * (C6H2_C6H3) cqss(sqssC6H2) = ( B_A_A ) / ( b_c_a ) cqss(sqssC6H3) = C6H3_ct - (C6H3_C6H2) * cqss(sqssC6H2) CH2GSG_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r20f)* c(sO2) & + k(r21f)* c(sO2) & + k(r22f)* c(sO) & + k(r23f)* c(sH2) & + k(r24f)* c(sH) & + k(r25f)* c(sOH) & + k(r26f)* c(sCO2) & + k(r83f)* c(sCH3) & + k(r103f)* c(sC2H2) & + k(r127f)* c(sC2H4) & + k(r128f)* c(sC2H4) & + k(r129f)* c(sC2H4) & + k(r130f)* c(sC2H4) & + k(r131f)* c(sC2H4) & + k(r132f)* c(sC2H4) & + k(r214f)* c(sO) & + k(r218f)* c(sCH4) & + k(r36b)* c(sH2O) & + k(r120b)* c(sCO) ) CH2GSG_num = ( 0.0_pr & + k(r36f)* c(sCH3) * c(sOH) & + k(r21b)* c(sCO) * c(sH2O) & + k(r23b)* c(sCH3) * c(sH) & + k(r25b)* c(sCH2O) * c(sH) & + k(r26b)* c(sCH2O) * c(sCO) & + k(r83b)* c(sC2H4) * c(sH) & + k(r127b)* c(sC3H6) & + k(r128b)* c(sC3H6) & + k(r214b)* c(sCO) *c(sH)** 2.0_pr& + k(r218b) *c(sCH3)** 2.0_pr ) CH2GSG_ct = CH2GSG_num / CH2GSG_denom CH2GSG_CH = - ( 0.0_pr & + k(r24b) * c(sH2) ) / CH2GSG_denom CH2GSG_HCO = - ( 0.0_pr & + k(r22b) * c(sH) ) / CH2GSG_denom CH2GSG_C2H3 = - ( 0.0_pr & + k(r131b) * c(sCH3) & + k(r132b) * c(sCH3) ) / CH2GSG_denom CH2GSG_HCCO = - ( 0.0_pr & + k(r120f) * c(sH) ) / CH2GSG_denom CH2GSG_C3H5XA = - ( 0.0_pr & + k(r129b) * c(sH) & + k(r130b) * c(sH) ) / CH2GSG_denom CH2GSG_C3H3 = - ( 0.0_pr & + k(r103b) * c(sH) ) / CH2GSG_denom HCCO_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r117f)* c(sOH) & + k(r118f)* c(sO) & + k(r120f)* c(sH) & + k(r121f)* c(sO2) & + k(r122f)* c(sO2) & + k(r206f)* c(sOH) & + k(r207f)* c(sO2) & + k(r244f)* c(sH2) & + k(r248f)* c(sH2O) & + k(r101b)* c(sH) & + k(r110b)* c(sH) & + k(r119b)* m(mM119) & + k(r208b)* c(sO) ) HCCO_num = ( 0.0_pr & + k(r101f)* c(sC2H2) * c(sO) ) HCCO_ct = HCCO_num / HCCO_denom HCCO_CH2GSG = - ( 0.0_pr & + k(r120b) * c(sCO) ) / HCCO_denom HCCO_CH = - ( 0.0_pr & + k(r119f) * c(sCO) * m(mM119) ) / HCCO_denom HCCO_HCO = - ( 0.0_pr & + k(r206b) * c(sCO) * c(sH) & + k(r207b) * c(sCO2) ) / HCCO_denom HCCO_C2H = - ( 0.0_pr & + k(r110f) * c(sOH) & + k(r208f) * c(sO2) ) / HCCO_denom HCCO_CH2CO = - ( 0.0_pr & + k(r204f) & + k(r249f) * c(sH) & + k(r250f) * c(sO) & + k(r251f) * c(sOH) ) / HCCO_denom C3H5XA_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r155f)* c(sH) & + k(r156f)* c(sOH) & + k(r157f)* c(sCH3) & + k(r177f)* c(sCH3) & + k(r238f)* c(sO) & + k(r243f)* c(sH) & + k(r129b)* c(sH) & + k(r130b)* c(sH) & + k(r133b)* c(sH) & + k(r134b)* c(sH) & + k(r137b)* c(sH) & + k(r138b)* c(sH) & + k(r139b)* c(sH2) & + k(r140b)* c(sHO2) & + k(r141b)* c(sOH) & + k(r142b)* c(sH2O) & + k(r143b)* c(sCH4) & + k(r161b)& + k(r162b)& + k(r195b)* c(sCH2O) & + k(r255b)* c(sC2H5) ) C3H5XA_num = ( 0.0_pr & + k(r137f)* c(sC3H6) & + k(r138f)* c(sC3H6) & + k(r139f)* c(sC3H6) * c(sH) & + k(r140f)* c(sC3H6) * c(sO2) & + k(r141f)* c(sC3H6) * c(sO) & + k(r142f)* c(sC3H6) * c(sOH) & + k(r143f)* c(sC3H6) * c(sCH3) & + k(r161f)* c(sC3H4XA) * c(sH) & + k(r162f)* c(sC3H4XA) * c(sH) & + k(r255f)* c(sNC5H10) & + k(r155b)* c(sC3H4XA) * c(sH2) & + k(r156b)* c(sC3H4XA) * c(sH2O) & + k(r157b)* c(sC3H4XA) * c(sCH4) & + k(r177b)* c(sC4H8X1) & + k(r243b)* c(sC3H6) ) C3H5XA_ct = C3H5XA_num / C3H5XA_denom C3H5XA_CH2GSG = - ( 0.0_pr & + k(r129f) * c(sC2H4) & + k(r130f) * c(sC2H4) ) / C3H5XA_denom C3H5XA_C2H3 = - ( 0.0_pr & + k(r133f) * c(sCH3) & + k(r134f) * c(sCH3) ) / C3H5XA_denom C3H5XA_C4H6 = - ( 0.0_pr & + k(r195f) * c(sOH) ) / C3H5XA_denom CH_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r27f)* c(sO2) & + k(r28f)* c(sO) & + k(r29f)* c(sH) & + k(r30f)* c(sOH) & + k(r115f)* c(sCH2O) & + k(r119f)* c(sCO) * m(mM119) & + k(r211f)* c(sOH) & + k(r216f)* c(sCH3) & + k(r220f)* c(sC2H2) & + k(r24b)* c(sH2) & + k(r108b)* c(sCO) & + k(r210b)* c(sCO2) ) CH_num = ( 0.0_pr & + k(r28b)* c(sCO) * c(sH) ) CH_ct = CH_num / CH_denom CH_CH2GSG = - ( 0.0_pr & + k(r24f) * c(sH) ) / CH_denom CH_C = - ( 0.0_pr & + k(r29b) * c(sH2) & + k(r211b) * c(sH2O) ) / CH_denom CH_HCO = - ( 0.0_pr & + k(r27b) * c(sO) & + k(r30b) * c(sH) ) / CH_denom CH_C2H3 = - ( 0.0_pr & + k(r216b) * c(sH) ) / CH_denom CH_C2H = - ( 0.0_pr & + k(r108f) * c(sO) & + k(r210f) * c(sO2) ) / CH_denom CH_CH2CO = - ( 0.0_pr & + k(r115b) * c(sH) ) / CH_denom CH_HCCO = - ( 0.0_pr & + k(r119b) * m(mM119) ) / CH_denom CH_C3H2 = - ( 0.0_pr & + k(r220b) * c(sH) ) / CH_denom C2H3_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r85f)* c(sO2) & + k(r86f)* c(sO2) & + k(r87f)* c(sO2) & + k(r88f)* c(sO2) & + k(r89f)* c(sO2) & + k(r90f)* c(sO2) & + k(r91f)* c(sO2) & + k(r92f)* c(sO2) & + k(r93f)* c(sO2) & + k(r94f)* c(sO2) & + k(r95f)* c(sO2) & + k(r96f)* c(sO2) & + k(r97f)* c(sO2) & + k(r98f)* c(sO2) & + k(r99f)* c(sH) & + k(r100f)* c(sOH) & + k(r113f)* c(sO) & + k(r126f)* c(sCH3) & + k(r133f)* c(sCH3) & + k(r134f)* c(sCH3) & + k(r237f)* c(sO) & + k(r240f)* c(sHO2) & + k(r72b)* c(sC2H5) & + k(r77b)* c(sH2) & + k(r78b)* c(sH2O) & + k(r79b)* c(sCH4) & + k(r80b)* c(sCH4) & + k(r84b)& + k(r102b)* c(sCO) & + k(r131b)* c(sCH3) & + k(r132b)* c(sCH3) & + k(r135b)* c(sCH3) & + k(r136b)* c(sCH3) & + k(r194b)* c(sC2H4) & + k(r216b)* c(sH) & + k(r257b)* c(sC3H7GL1G) & + k(r261b)* c(sC2H4) ) C2H3_num = ( 0.0_pr & + k(r72f) *c(sC2H4)** 2.0_pr& + k(r77f)* c(sC2H4) * c(sH) & + k(r78f)* c(sC2H4) * c(sOH) & + k(r79f)* c(sC2H4) * c(sCH3) & + k(r80f)* c(sC2H4) * c(sCH3) & + k(r84f)* c(sC2H2) * c(sH) & + k(r135f)* c(sC3H6) & + k(r136f)* c(sC3H6) & + k(r246f)* c(sC2H4) * c(sO) & + k(r257f)* c(sNC5H10) & + k(r87b)* c(sC2H2) * c(sHO2) & + k(r88b)* c(sC2H2) * c(sHO2) & + k(r95b)* c(sCH3OGL1G) * c(sCO) & + k(r96b)* c(sCH3OGL1G) * c(sCO) & + k(r97b)* c(sCH3) * c(sCO2) & + k(r98b)* c(sCH3) * c(sCO2) & + k(r99b)* c(sC2H2) * c(sH2) & + k(r100b)* c(sC2H2) * c(sH2O) & + k(r126b)* c(sC3H6) ) C2H3_ct = C2H3_num / C2H3_denom C2H3_CH2GSG = - ( 0.0_pr & + k(r131f) * c(sC2H4) & + k(r132f) * c(sC2H4) ) / C2H3_denom C2H3_CH = - ( 0.0_pr & + k(r216f) * c(sCH3) ) / C2H3_denom C2H3_HCO = - ( 0.0_pr & + k(r102f) * c(sC2H2) & + k(r91b) * c(sCH2O) & + k(r92b) * c(sCH2O) ) / C2H3_denom C2H3_CH2CHO = - ( 0.0_pr & + k(r85b) * c(sO) & + k(r86b) * c(sO) ) / C2H3_denom C2H3_CH2CO = - ( 0.0_pr & + k(r89b) * c(sOH) & + k(r90b) * c(sOH) & + k(r113b) * c(sH) ) / C2H3_denom C2H3_C3H5XA = - ( 0.0_pr & + k(r238f) * c(sO) & + k(r133b) * c(sH) & + k(r134b) * c(sH) ) / C2H3_denom C2H3_C3H3 = - ( 0.0_pr & + k(r168f) * c(sHO2) ) / C2H3_denom C2H3_C4H71X3 = - ( 0.0_pr & + k(r261f) ) / C2H3_denom C2H3_C4H6 = - ( 0.0_pr & + k(r194f) * c(sH) ) / C2H3_denom C4H71X3_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r178f)* c(sH) & + k(r182f)& + k(r261f)& + k(r179b)* c(sH2O) & + k(r180b)* c(sOH) & + k(r181b)* c(sHO2) & + k(r256b)* c(sCH3) ) C4H71X3_num = ( 0.0_pr & + k(r179f)* c(sC4H8X1) * c(sOH) & + k(r180f)* c(sC4H8X1) * c(sO) & + k(r181f)* c(sC4H8X1) * c(sO2) & + k(r252f)* c(sC4H8X1) * c(sH) & + k(r253f)* c(sC4H8X1) * c(sCH3) & + k(r256f)* c(sNC5H10) & +0.5_pr * k(r262f)* c(sNC7H14) & + k(r178b)* c(sC4H8X1) ) C4H71X3_ct = C4H71X3_num / C4H71X3_denom C4H71X3_C2H3 = - ( 0.0_pr & + k(r261b) * c(sC2H4) ) / C4H71X3_denom C4H71X3_C4H6 = - ( 0.0_pr & + k(r182b) * c(sH) ) / C4H71X3_denom C2H_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r107f)* c(sO2) & + k(r108f)* c(sO) & + k(r109f)* c(sH2) & + k(r110f)* c(sOH) & + k(r208f)* c(sO2) & + k(r210f)* c(sO2) & + k(r104b)* c(sH2O) & + k(r167b)* c(sCH2O) ) C2H_num = ( 0.0_pr & + k(r104f)* c(sC2H2) * c(sOH) & + k(r245f)* c(sC2H2) * c(sO) & + k(r287f)* cqss(sqssC6H4O2) * c(sH) & + k(r288f)* cqss(sqssC6H4O2) * c(sO) & + k(r289f)* cqss(sqssC6H4O2) * c(sOH) & + k(r298f)* cqss(sqssC6H2) * c(sOH) & + k(r109b)* c(sC2H2) * c(sH) ) C2H_ct = C2H_num / C2H_denom C2H_CH = - ( 0.0_pr & + k(r108b) * c(sCO) & + k(r210b) * c(sCO2) ) / C2H_denom C2H_HCO = - ( 0.0_pr & + k(r107b) * c(sCO) ) / C2H_denom C2H_HCCO = - ( 0.0_pr & + k(r110b) * c(sH) & + k(r208b) * c(sO) ) / C2H_denom C2H_C3H3 = - ( 0.0_pr & + k(r167f) * c(sO) ) / C2H_denom C2H_C6H4O2 = - ( 0.0_pr & + k(r287f) * cqss(sqssC6H4O2) * c(sH) & + k(r288f) * cqss(sqssC6H4O2) * c(sO) & + k(r289f) * cqss(sqssC6H4O2) * c(sOH) ) / C2H_denom C2H_C6H2 = - ( 0.0_pr & + k(r298f) * cqss(sqssC6H2) * c(sOH) ) / C2H_denom CH2CHO_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r111f)& + k(r112f)& + k(r203f)* c(sO2) & + k(r236f)* c(sO2) & + k(r239f)* c(sO) & + k(r241f)* c(sOH) & + k(r82b)* c(sH) & + k(r85b)* c(sO) & + k(r86b)* c(sO) ) CH2CHO_num = ( 0.0_pr & + k(r82f)* c(sC2H4) * c(sO) & + k(r242f)* c(sC2H2) * c(sOH) & + k(r112b)* c(sCH3) * c(sCO) ) CH2CHO_ct = CH2CHO_num / CH2CHO_denom CH2CHO_C2H3 = - ( 0.0_pr & + k(r85f) * c(sO2) & + k(r86f) * c(sO2) & + k(r237f) * c(sO) & + k(r240f) * c(sHO2) ) / CH2CHO_denom CH2CHO_CH2CO = - ( 0.0_pr & + k(r111b) * c(sH) ) / CH2CHO_denom C3H3_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r167f)* c(sO) & + k(r168f)* c(sHO2) & + k(r169f)* c(sH) & + k(r170f)* c(sOH) & + k(r171f)* c(sOH) & + k(r172f)* c(sOH) & + k(r221f)* c(sCH3) & + k(r223f)& + k(r228f)* c(sH) & + k(r103b)* c(sH) & + k(r158b)* c(sH2) & + k(r159b)* c(sH2O) & + k(r160b)* c(sCH4) ) C3H3_num = ( 0.0_pr & + k(r158f)* c(sC3H4XA) * c(sH) & + k(r159f)* c(sC3H4XA) * c(sOH) & + k(r160f)* c(sC3H4XA) * c(sCH3) & + k(r247f)* c(sC3H4XA) * c(sO) & + k(r171b)* c(sC2H2) * c(sCH2O) & + k(r172b)* c(sC2H4) * c(sCO) & + k(r228b)* c(sC3H4XA) ) C3H3_ct = C3H3_num / C3H3_denom C3H3_CH2GSG = - ( 0.0_pr & + k(r103f) * c(sC2H2) ) / C3H3_denom C3H3_C2H = - ( 0.0_pr & + k(r167b) * c(sCH2O) ) / C3H3_denom C3H3_C3H2 = - ( 0.0_pr & + k(r169b) * c(sH2) & + k(r170b) * c(sH2O) & + k(r223b) * c(sH) ) / C3H3_denom C3H3_C4H6 = - ( 0.0_pr & + k(r222f) ) / C3H3_denom C3H2_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r215f)* c(sOH) & + k(r169b)* c(sH2) & + k(r170b)* c(sH2O) & + k(r220b)* c(sH) & + k(r223b)* c(sH) ) C3H2_num = ( 0.0_pr & + k(r281f)* cqss(sqssC6H4O2) & + k(r298f)* cqss(sqssC6H2) * c(sOH) ) C3H2_ct = C3H2_num / C3H2_denom C3H2_CH = - ( 0.0_pr & + k(r220f) * c(sC2H2) ) / C3H2_denom C3H2_HCO = - ( 0.0_pr & + k(r215b) * c(sC2H2) ) / C3H2_denom C3H2_C3H3 = - ( 0.0_pr & + k(r169f) * c(sH) & + k(r170f) * c(sOH) & + k(r223f) ) / C3H2_denom C3H2_C6H4O2 = - ( 0.0_pr & + k(r281f) * cqss(sqssC6H4O2) ) / C3H2_denom C3H2_C6H2 = - ( 0.0_pr & + k(r298f) * cqss(sqssC6H2) * c(sOH) ) / C3H2_denom C4H6_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r194f)* c(sH) & + k(r195f)* c(sOH) & + k(r196f)* c(sO) & + k(r222f)& + k(r229f)* c(sO) & + k(r235f)* c(sO2) & + k(r182b)* c(sH) & + k(r193b)* c(sH2) & + k(r226b) ) C4H6_num = ( 0.0_pr & + k(r193f)* c(sC4H8X1) & + k(r226f)* c(sC2H2) * c(sC2H4) & +0.5_pr * k(r262f)* c(sNC7H14) & + k(r196b)* c(sC3H4XA) * c(sCH2O) ) C4H6_ct = C4H6_num / C4H6_denom C4H6_C2H3 = - ( 0.0_pr & + k(r194b) * c(sC2H4) ) / C4H6_denom C4H6_C3H5XA = - ( 0.0_pr & + k(r195b) * c(sCH2O) ) / C4H6_denom C4H6_C3H3 = - ( 0.0_pr & + k(r221f) * c(sCH3) ) / C4H6_denom C4H6_C4H71X3 = - ( 0.0_pr & + k(r182f) ) / C4H6_denom C_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r31f)* c(sOH) & + k(r32f)* c(sO2) & + k(r217f)* c(sCH3) & + k(r29b)* c(sH2) & + k(r211b)* c(sH2O) ) C_num = ( 0.0_pr & + k(r31b)* c(sCO) * c(sH) & + k(r32b)* c(sCO) * c(sO) & + k(r217b)* c(sC2H2) * c(sH) ) C_ct = C_num / C_denom C_CH = - ( 0.0_pr & + k(r29f) * c(sH) & + k(r211f) * c(sOH) ) / C_denom HCO_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r42f)* c(sCH3OGL1G) & + k(r47f)* c(sH) & + k(r54f)* m(mM54) & + k(r55f)* c(sO2) & + k(r56f)* c(sO) & + k(r57f)* c(sH) & + k(r58f)* c(sOH) & + k(r59f)* c(sCH3) & + k(r60f)* c(sO) & + k(r61f)* c(sHO2) & + k(r102f)* c(sC2H2) & + k(r22b)* c(sH) & + k(r27b)* c(sO) & + k(r30b)* c(sH) & + k(r49b)* c(sHO2) & + k(r50b)* c(sOH) & + k(r51b)* c(sH2) & + k(r52b)* c(sH2O) & + k(r53b)* c(sCH4) & + k(r81b)* c(sCH3) & + k(r91b)* c(sCH2O) & + k(r92b)* c(sCH2O) & + k(r107b)* c(sCO) & + k(r144b)* c(sC2H5) & + k(r191b)* c(sC3H7GL1G) & + k(r206b)* c(sCO) * c(sH) & + k(r207b)* c(sCO2) & + k(r215b)* c(sC2H2) ) HCO_num = ( 0.0_pr & + k(r49f)* c(sCH2O) * c(sO2) & + k(r50f)* c(sCH2O) * c(sO) & + k(r51f)* c(sCH2O) * c(sH) & + k(r52f)* c(sCH2O) * c(sOH) & + k(r53f)* c(sCH2O) * c(sCH3) & + k(r81f)* c(sC2H4) * c(sO) & + k(r144f)* c(sC3H6) * c(sO) & + k(r191f)* c(sC4H8X1) * c(sO) & + k(r231f)* c(sC2H2) * c(sHO2) & + k(r234f)* c(sC2H4) * c(sO2) & + k(r42b) *c(sCH2O)** 2.0_pr& + k(r47b)* c(sCH2O) & + k(r54b)* c(sCO) * c(sH) * m(mM54) & + k(r55b)* c(sCO) * c(sHO2) & + k(r56b)* c(sCO) * c(sOH) & + k(r57b)* c(sCO) * c(sH2) & + k(r58b)* c(sCO) * c(sH2O) & + k(r59b)* c(sCH4) * c(sCO) & + k(r60b)* c(sCO2) * c(sH) ) HCO_ct = HCO_num / HCO_denom HCO_CH2GSG = - ( 0.0_pr & + k(r22f) * c(sO) ) / HCO_denom HCO_CH = - ( 0.0_pr & + k(r27f) * c(sO2) & + k(r30f) * c(sOH) ) / HCO_denom HCO_C2H3 = - ( 0.0_pr & + k(r91f) * c(sO2) & + k(r92f) * c(sO2) & + k(r102b) * c(sCO) ) / HCO_denom HCO_C2H = - ( 0.0_pr & + k(r107f) * c(sO2) ) / HCO_denom HCO_CH2CHO = - ( 0.0_pr & + k(r239f) * c(sO) & + k(r241f) * c(sOH) ) / HCO_denom HCO_CH2CO = - ( 0.0_pr & + k(r199f) * 2.0_pr * c(sO) & + k(r202f) * c(sO2) ) / HCO_denom HCO_HCCO = - ( 0.0_pr & + k(r206f) * c(sOH) & + k(r207f) * c(sO2) ) / HCO_denom HCO_C3H2 = - ( 0.0_pr & + k(r215f) * c(sOH) ) / HCO_denom CH2CO_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r114f)* c(sH) & + k(r116f)* c(sOH) & + k(r199f)* c(sO) & + k(r200f)* c(sOH) & + k(r201f)* c(sO2) & + k(r202f)* c(sO2) & + k(r204f)& + k(r205f)* c(sCH3) & + k(r249f)* c(sH) & + k(r250f)* c(sO) & + k(r251f)* c(sOH) & + k(r89b)* c(sOH) & + k(r90b)* c(sOH) & + k(r105b)* c(sH) & + k(r111b)* c(sH) & + k(r113b)* c(sH) & + k(r115b)* c(sH) ) CH2CO_num = ( 0.0_pr & + k(r105f)* c(sC2H2) * c(sOH) & + k(r145f)* c(sC3H6) * c(sO) & + k(r192f)* c(sC4H8X1) * c(sO) & + k(r197f)* c(sC3H4XA) * c(sO2) & + k(r198f)* c(sC2H2) * c(sO) & + k(r114b)* c(sCH3) * c(sCO) & + k(r116b)* c(sCH3OGL1G) * c(sCO) & + k(r205b)* c(sC3H4XA) * c(sOH) ) CH2CO_ct = CH2CO_num / CH2CO_denom CH2CO_CH = - ( 0.0_pr & + k(r115f) * c(sCH2O) ) / CH2CO_denom CH2CO_C2H3 = - ( 0.0_pr & + k(r89f) * c(sO2) & + k(r90f) * c(sO2) & + k(r113f) * c(sO) ) / CH2CO_denom CH2CO_CH2CHO = - ( 0.0_pr & + k(r111f) & + k(r203f) * c(sO2) ) / CH2CO_denom CH2CO_HCCO = - ( 0.0_pr & + k(r244f) * c(sH2) & + k(r248f) * c(sH2O) ) / CH2CO_denom c_t_a = (HCO_CH2CHO) - (CH2CO_CH2CHO) * (HCO_CH2CO) c_w_a = (HCO_C2H3) - (CH2CO_C2H3) * (HCO_CH2CO) c_x_a = (HCO_CH) - (CH2CO_CH) * (HCO_CH2CO) c_z_a = (HCO_HCCO) - (CH2CO_HCCO) * (HCO_CH2CO) c_al_a = C_CH c_ay_a = C4H6_C2H3 c_bn_a = C3H2_CH c_cl_a = (1.0_pr) - (CH2CO_CH2CHO) * (CH2CHO_CH2CO) c_co_a = (CH2CHO_C2H3) - (CH2CO_C2H3) * (CH2CHO_CH2CO) c_cp_a = - (CH2CO_CH) * (CH2CHO_CH2CO) c_cr_a = - (CH2CO_HCCO) * (CH2CHO_CH2CO) c_dd_a = C2H_CH c_df_a = C2H_HCCO c_dq_a = C4H71X3_C2H3 c_eb_a = (C2H3_CH2CHO) - (CH2CO_CH2CHO) * (C2H3_CH2CO) c_ee_a = (1.0_pr) - (CH2CO_C2H3) * (C2H3_CH2CO) c_ef_a = (C2H3_CH) - (CH2CO_CH) * (C2H3_CH2CO) c_eh_a = - (CH2CO_HCCO) * (C2H3_CH2CO) c_ep_a = - (CH2CO_CH2CHO) * (CH_CH2CO) c_es_a = (CH_C2H3) - (CH2CO_C2H3) * (CH_CH2CO) c_et_a = (1.0_pr) - (CH2CO_CH) * (CH_CH2CO) c_ev_a = (CH_HCCO) - (CH2CO_HCCO) * (CH_CH2CO) c_fg_a = C3H5XA_C2H3 c_fr_a = - (CH2CO_CH2CHO) * (HCCO_CH2CO) c_fu_a = - (CH2CO_C2H3) * (HCCO_CH2CO) c_fv_a = (HCCO_CH) - (CH2CO_CH) * (HCCO_CH2CO) c_fx_a = (1.0_pr) - (CH2CO_HCCO) * (HCCO_CH2CO) c_gi_a = CH2GSG_C2H3 c_gj_a = CH2GSG_CH c_gl_a = CH2GSG_HCCO c_al_b = c_al_a c_ay_b = c_ay_a c_bh_b = (1.0_pr) - (HCO_C3H2) * (C3H2_HCO) c_bj_b = - (c_t_a) * (C3H2_HCO) c_bk_b = - (HCO_C2H) * (C3H2_HCO) c_bm_b = - (c_w_a) * (C3H2_HCO) c_bn_b = (c_bn_a) - (c_x_a) * (C3H2_HCO) c_bp_b = - (c_z_a) * (C3H2_HCO) c_bq_b = - (HCO_CH2GSG) * (C3H2_HCO) c_bv_b = C3H3_C3H2 c_by_b = C3H3_C2H c_ce_b = C3H3_CH2GSG c_cl_b = c_cl_a c_co_b = c_co_a c_cp_b = c_cp_a c_cr_b = c_cr_a c_cx_b = - (HCO_C3H2) * (C2H_HCO) c_dz_b = - (c_t_a) * (C2H_HCO) c_da_b = (1.0_pr) - (HCO_C2H) * (C2H_HCO) c_dc_b = - (c_w_a) * (C2H_HCO) c_dd_b = (c_dd_a) - (c_x_a) * (C2H_HCO) c_df_b = (c_df_a) - (c_z_a) * (C2H_HCO) c_dg_b = - (HCO_CH2GSG) * (C2H_HCO) c_dq_b = c_dq_a c_ez_b = - (HCO_C3H2) * (C2H3_HCO) c_eb_b = (c_eb_a) - (c_t_a) * (C2H3_HCO) c_ec_b = - (HCO_C2H) * (C2H3_HCO) c_ee_b = (c_ee_a) - (c_w_a) * (C2H3_HCO) c_ef_b = (c_ef_a) - (c_x_a) * (C2H3_HCO) c_eh_b = (c_eh_a) - (c_z_a) * (C2H3_HCO) c_ei_b = (C2H3_CH2GSG) - (HCO_CH2GSG) * (C2H3_HCO) c_en_b = (CH_C3H2) - (HCO_C3H2) * (CH_HCO) c_ep_b = (c_ep_a) - (c_t_a) * (CH_HCO) c_eq_b = (CH_C2H) - (HCO_C2H) * (CH_HCO) c_es_b = (c_es_a) - (c_w_a) * (CH_HCO) c_et_b = (c_et_a) - (c_x_a) * (CH_HCO) c_ev_b = (c_ev_a) - (c_z_a) * (CH_HCO) c_ew_b = (CH_CH2GSG) - (HCO_CH2GSG) * (CH_HCO) c_fg_b = c_fg_a c_fk_b = C3H5XA_CH2GSG c_fp_b = - (HCO_C3H2) * (HCCO_HCO) c_fr_b = (c_fr_a) - (c_t_a) * (HCCO_HCO) c_fs_b = (HCCO_C2H) - (HCO_C2H) * (HCCO_HCO) c_fu_b = (c_fu_a) - (c_w_a) * (HCCO_HCO) c_fv_b = (c_fv_a) - (c_x_a) * (HCCO_HCO) c_fx_b = (c_fx_a) - (c_z_a) * (HCCO_HCO) c_fy_b = (HCCO_CH2GSG) - (HCO_CH2GSG) * (HCCO_HCO) c_gd_b = - (HCO_C3H2) * (CH2GSG_HCO) c_gf_b = - (c_t_a) * (CH2GSG_HCO) c_gg_b = - (HCO_C2H) * (CH2GSG_HCO) c_gi_b = (c_gi_a) - (c_w_a) * (CH2GSG_HCO) c_gj_b = (c_gj_a) - (c_x_a) * (CH2GSG_HCO) c_gl_b = (c_gl_a) - (c_z_a) * (CH2GSG_HCO) c_gm_b = (1.0_pr) - (HCO_CH2GSG) * (CH2GSG_HCO) c_bn_c = c_bn_b c_cp_c = c_cp_b c_dd_c = c_dd_b c_ef_c = c_ef_b c_et_c = (c_et_b) - (c_al_b) * (CH_C) c_fv_c = c_fv_b c_gj_c = c_gj_b c_bi_d = C3H2_C3H3 c_bm_d = c_bm_b c_bw_d = (1.0_pr) - (C4H6_C3H3) * (C3H3_C4H6) c_cz_d = - (C4H6_C4H71X3) * (C3H3_C4H6) c_ca_d = - (c_ay_b) * (C3H3_C4H6) c_cc_d = - (C4H6_C3H5XA) * (C3H3_C4H6) c_co_d = c_co_b c_cy_d = C2H_C3H3 c_dc_d = c_dc_b c_dm_d = - (C4H6_C3H3) * (C4H71X3_C4H6) c_dp_d = (1.0_pr) - (C4H6_C4H71X3) * (C4H71X3_C4H6) c_dq_d = (c_dq_b) - (c_ay_b) * (C4H71X3_C4H6) c_ds_d = - (C4H6_C3H5XA) * (C4H71X3_C4H6) c_ea_d = (C2H3_C3H3) - (C4H6_C3H3) * (C2H3_C4H6) c_ed_d = (C2H3_C4H71X3) - (C4H6_C4H71X3) * (C2H3_C4H6) c_ee_d = (c_ee_b) - (c_ay_b) * (C2H3_C4H6) c_eg_d = (C2H3_C3H5XA) - (C4H6_C3H5XA) * (C2H3_C4H6) c_es_d = c_es_b c_fc_d = - (C4H6_C3H3) * (C3H5XA_C4H6) c_ff_d = - (C4H6_C4H71X3) * (C3H5XA_C4H6) c_fg_d = (c_fg_b) - (c_ay_b) * (C3H5XA_C4H6) c_fi_d = (1.0_pr) - (C4H6_C3H5XA) * (C3H5XA_C4H6) c_fu_d = c_fu_b c_ge_d = CH2GSG_C3H3 c_gi_d = c_gi_b c_gk_d = CH2GSG_C3H5XA c_bw_e = (c_bw_d) - (c_bi_d) * (c_bv_b) / (c_bh_b) c_cb_e = - (c_bn_c) * (c_bv_b) / (c_bh_b) c_cp_e = c_cp_c c_cy_e = (c_cy_d) - (c_bi_d) * (c_cx_b) / (c_bh_b) c_dd_e = (c_dd_c) - (c_bn_c) * (c_cx_b) / (c_bh_b) c_dm_e = c_dm_d c_ea_e = (c_ea_d) - (c_bi_d) * (c_ez_b) / (c_bh_b) c_ef_e = (c_ef_c) - (c_bn_c) * (c_ez_b) / (c_bh_b) c_eo_e = - (c_bi_d) * (c_en_b) / (c_bh_b) c_et_e = (c_et_c) - (c_bn_c) * (c_en_b) / (c_bh_b) c_fc_e = c_fc_d c_fq_e = - (c_bi_d) * (c_fp_b) / (c_bh_b) c_fv_e = (c_fv_c) - (c_bn_c) * (c_fp_b) / (c_bh_b) c_ge_e = (c_ge_d) - (c_bi_d) * (c_gd_b) / (c_bh_b) c_gj_e = (c_gj_c) - (c_bn_c) * (c_gd_b) / (c_bh_b) c_da_f = (c_da_b) - (c_by_b) * (c_cy_e) / (c_bw_e) c_dg_f = (c_dg_b) - (c_ce_b) * (c_cy_e) / (c_bw_e) c_do_f = - (c_by_b) * (c_dm_e) / (c_bw_e) c_du_f = - (c_ce_b) * (c_dm_e) / (c_bw_e) c_ec_f = (c_ec_b) - (c_by_b) * (c_ea_e) / (c_bw_e) c_ei_f = (c_ei_b) - (c_ce_b) * (c_ea_e) / (c_bw_e) c_eq_f = (c_eq_b) - (c_by_b) * (c_eo_e) / (c_bw_e) c_ew_f = (c_ew_b) - (c_ce_b) * (c_eo_e) / (c_bw_e) c_fe_f = - (c_by_b) * (c_fc_e) / (c_bw_e) c_fk_f = (c_fk_b) - (c_ce_b) * (c_fc_e) / (c_bw_e) c_fs_f = (c_fs_b) - (c_by_b) * (c_fq_e) / (c_bw_e) c_fy_f = (c_fy_b) - (c_ce_b) * (c_fq_e) / (c_bw_e) c_gg_f = (c_gg_b) - (c_by_b) * (c_ge_e) / (c_bw_e) c_gm_f = (c_gm_b) - (c_ce_b) * (c_ge_e) / (c_bw_e) c_dc_g = (c_dc_d) - (c_co_d) * (c_dz_b) / (c_cl_b) c_dq_g = c_dq_d c_ee_g = (c_ee_d) - (c_co_d) * (c_eb_b) / (c_cl_b) c_es_g = (c_es_d) - (c_co_d) * (c_ep_b) / (c_cl_b) c_fg_g = c_fg_d c_fu_g = (c_fu_d) - (c_co_d) * (c_fr_b) / (c_cl_b) c_gi_g = (c_gi_d) - (c_co_d) * (c_gf_b) / (c_cl_b) c_dr_h = - (c_dd_e) * (c_do_f) / (c_da_f) c_dt_h = - (c_df_b) * (c_do_f) / (c_da_f) c_ef_h = (c_ef_e) - (c_dd_e) * (c_ec_f) / (c_da_f) c_eh_h = (c_eh_b) - (c_df_b) * (c_ec_f) / (c_da_f) c_et_h = (c_et_e) - (c_dd_e) * (c_eq_f) / (c_da_f) c_ev_h = (c_ev_b) - (c_df_b) * (c_eq_f) / (c_da_f) c_fh_h = - (c_dd_e) * (c_fe_f) / (c_da_f) c_fj_h = - (c_df_b) * (c_fe_f) / (c_da_f) c_fv_h = (c_fv_e) - (c_dd_e) * (c_fs_f) / (c_da_f) c_fx_h = (c_fx_b) - (c_df_b) * (c_fs_f) / (c_da_f) c_gj_h = (c_gj_e) - (c_dd_e) * (c_gg_f) / (c_da_f) c_gl_h = (c_gl_b) - (c_df_b) * (c_gg_f) / (c_da_f) c_ee_i = (c_ee_g) - (c_dq_g) * (c_ed_d) / (c_dp_d) c_es_i = c_es_g c_fg_i = (c_fg_g) - (c_dq_g) * (c_ff_d) / (c_dp_d) c_fu_i = c_fu_g c_gi_i = c_gi_g c_et_j = (c_et_h) - (c_ef_h) * (c_es_i) / (c_ee_i) c_eu_j = - (c_eg_d) * (c_es_i) / (c_ee_i) c_ew_j = (c_ew_f) - (c_ei_f) * (c_es_i) / (c_ee_i) c_fh_j = (c_fh_h) - (c_ef_h) * (c_fg_i) / (c_ee_i) c_fi_j = (c_fi_d) - (c_eg_d) * (c_fg_i) / (c_ee_i) c_fk_j = (c_fk_f) - (c_ei_f) * (c_fg_i) / (c_ee_i) c_fv_j = (c_fv_h) - (c_ef_h) * (c_fu_i) / (c_ee_i) c_fw_j = - (c_eg_d) * (c_fu_i) / (c_ee_i) c_fy_j = (c_fy_f) - (c_ei_f) * (c_fu_i) / (c_ee_i) c_gj_j = (c_gj_h) - (c_ef_h) * (c_gi_i) / (c_ee_i) c_gk_j = (c_gk_d) - (c_eg_d) * (c_gi_i) / (c_ee_i) c_gm_j = (c_gm_f) - (c_ei_f) * (c_gi_i) / (c_ee_i) c_fj_k = (c_fj_h) - (c_ev_h) * (c_fh_j) / (c_et_j) c_fk_k = (c_fk_j) - (c_ew_j) * (c_fh_j) / (c_et_j) c_fx_k = (c_fx_h) - (c_ev_h) * (c_fv_j) / (c_et_j) c_fy_k = (c_fy_j) - (c_ew_j) * (c_fv_j) / (c_et_j) c_gl_k = (c_gl_h) - (c_ev_h) * (c_gj_j) / (c_et_j) c_gm_k = (c_gm_j) - (c_ew_j) * (c_gj_j) / (c_et_j) c_fy_l = (c_fy_k) - (c_fk_k) * (c_fw_j) / (c_fi_j) c_gm_l = (c_gm_k) - (c_fk_k) * (c_gk_j) / (c_fi_j) c_gm_m = (c_gm_l) - (c_fy_l) * (c_gl_k) / (c_fx_k) C_A_A = (HCO_ct) - (CH2CO_ct) * (HCO_CH2CO) C_B_A = C_ct C_C_A = C4H6_ct C_D_A = C3H2_ct C_E_A = C3H3_ct C_F_A = (CH2CHO_ct) - (CH2CO_ct) * (CH2CHO_CH2CO) C_G_A = C2H_ct C_H_A = C4H71X3_ct C_I_A = (C2H3_ct) - (CH2CO_ct) * (C2H3_CH2CO) C_J_A = (CH_ct) - (CH2CO_ct) * (CH_CH2CO) C_K_A = C3H5XA_ct C_L_A = (HCCO_ct) - (CH2CO_ct) * (HCCO_CH2CO) C_M_A = CH2GSG_ct C_B_B = C_B_A C_C_B = C_C_A C_D_B = (C_D_A) - (C_A_A) * (C3H2_HCO) C_E_B = C_E_A C_F_B = C_F_A C_G_B = (C_G_A) - (C_A_A) * (C2H_HCO) C_H_B = C_H_A C_I_B = (C_I_A) - (C_A_A) * (C2H3_HCO) C_J_B = (C_J_A) - (C_A_A) * (CH_HCO) C_K_B = C_K_A C_L_B = (C_L_A) - (C_A_A) * (HCCO_HCO) C_M_B = (C_M_A) - (C_A_A) * (CH2GSG_HCO) C_C_C = C_C_B C_D_C = C_D_B C_E_C = C_E_B C_F_C = C_F_B C_G_C = C_G_B C_H_C = C_H_B C_I_C = C_I_B C_J_C = (C_J_B) - (C_B_B) * (CH_C) C_K_C = C_K_B C_L_C = C_L_B C_M_C = C_M_B C_D_D = C_D_C C_E_D = (C_E_C) - (C_C_C) * (C3H3_C4H6) C_F_D = C_F_C C_G_D = C_G_C C_H_D = (C_H_C) - (C_C_C) * (C4H71X3_C4H6) C_I_D = (C_I_C) - (C_C_C) * (C2H3_C4H6) C_J_D = C_J_C C_K_D = (C_K_C) - (C_C_C) * (C3H5XA_C4H6) C_L_D = C_L_C C_M_D = C_M_C C_E_E = (C_E_D) - (C_D_D) * (c_bv_b) / (c_bh_b) C_F_E = C_F_D C_G_E = (C_G_D) - (C_D_D) * (c_cx_b) / (c_bh_b) C_H_E = C_H_D C_I_E = (C_I_D) - (C_D_D) * (c_ez_b) / (c_bh_b) C_J_E = (C_J_D) - (C_D_D) * (c_en_b) / (c_bh_b) C_K_E = C_K_D C_L_E = (C_L_D) - (C_D_D) * (c_fp_b) / (c_bh_b) C_M_E = (C_M_D) - (C_D_D) * (c_gd_b) / (c_bh_b) C_F_F = C_F_E C_G_F = (C_G_E) - (C_E_E) * (c_cy_e) / (c_bw_e) C_H_F = (C_H_E) - (C_E_E) * (c_dm_e) / (c_bw_e) C_I_F = (C_I_E) - (C_E_E) * (c_ea_e) / (c_bw_e) C_J_F = (C_J_E) - (C_E_E) * (c_eo_e) / (c_bw_e) C_K_F = (C_K_E) - (C_E_E) * (c_fc_e) / (c_bw_e) C_L_F = (C_L_E) - (C_E_E) * (c_fq_e) / (c_bw_e) C_M_F = (C_M_E) - (C_E_E) * (c_ge_e) / (c_bw_e) C_G_G = (C_G_F) - (C_F_F) * (c_dz_b) / (c_cl_b) C_H_G = C_H_F C_I_G = (C_I_F) - (C_F_F) * (c_eb_b) / (c_cl_b) C_J_G = (C_J_F) - (C_F_F) * (c_ep_b) / (c_cl_b) C_K_G = C_K_F C_L_G = (C_L_F) - (C_F_F) * (c_fr_b) / (c_cl_b) C_M_G = (C_M_F) - (C_F_F) * (c_gf_b) / (c_cl_b) C_H_H = (C_H_G) - (C_G_G) * (c_do_f) / (c_da_f) C_I_H = (C_I_G) - (C_G_G) * (c_ec_f) / (c_da_f) C_J_H = (C_J_G) - (C_G_G) * (c_eq_f) / (c_da_f) C_K_H = (C_K_G) - (C_G_G) * (c_fe_f) / (c_da_f) C_L_H = (C_L_G) - (C_G_G) * (c_fs_f) / (c_da_f) C_M_H = (C_M_G) - (C_G_G) * (c_gg_f) / (c_da_f) C_I_I = (C_I_H) - (C_H_H) * (c_ed_d) / (c_dp_d) C_J_I = C_J_H C_K_I = (C_K_H) - (C_H_H) * (c_ff_d) / (c_dp_d) C_L_I = C_L_H C_M_I = C_M_H C_J_J = (C_J_I) - (C_I_I) * (c_es_i) / (c_ee_i) C_K_J = (C_K_I) - (C_I_I) * (c_fg_i) / (c_ee_i) C_L_J = (C_L_I) - (C_I_I) * (c_fu_i) / (c_ee_i) C_M_J = (C_M_I) - (C_I_I) * (c_gi_i) / (c_ee_i) C_K_K = (C_K_J) - (C_J_J) * (c_fh_j) / (c_et_j) C_L_K = (C_L_J) - (C_J_J) * (c_fv_j) / (c_et_j) C_M_K = (C_M_J) - (C_J_J) * (c_gj_j) / (c_et_j) C_L_L = (C_L_K) - (C_K_K) * (c_fw_j) / (c_fi_j) C_M_L = (C_M_K) - (C_K_K) * (c_gk_j) / (c_fi_j) C_M_M = (C_M_L) - (C_L_L) * (c_gl_k) / (c_fx_k) cqss(sqssCH2GSG) = ( C_M_M ) / ( c_gm_m ) cqss(sqssHCCO) = (C_L_L - (c_fy_l) * cqss(sqssCH2GSG)) / (c_fx_k) cqss(sqssC3H5XA) = (C_K_K - (c_fk_k) * cqss(sqssCH2GSG) - (c_fj_k) & * cqss(sqssHCCO)) / (c_fi_j) cqss(sqssCH) = (C_J_J - (c_ew_j) * cqss(sqssCH2GSG) - (c_ev_h) & * cqss(sqssHCCO) - (c_eu_j) * cqss(sqssC3H5XA)) & / (c_et_j) cqss(sqssC2H3) = (C_I_I - (c_ei_f) * cqss(sqssCH2GSG) - (c_eh_h) & * cqss(sqssHCCO) - (c_eg_d) * cqss(sqssC3H5XA) & - (c_ef_h) * cqss(sqssCH)) / (c_ee_i) cqss(sqssC4H71X3) = (C_H_H - (c_du_f) * cqss(sqssCH2GSG) - (c_dt_h) & * cqss(sqssHCCO) - (c_ds_d) * cqss(sqssC3H5XA) & - (c_dr_h) * cqss(sqssCH) - (c_dq_g) * cqss(sqssC2H3)) & / (c_dp_d) cqss(sqssC2H) = (C_G_G - (c_dg_f) * cqss(sqssCH2GSG) - (c_df_b) & * cqss(sqssHCCO) - (c_dd_e) * cqss(sqssCH) & - (c_dc_g) * cqss(sqssC2H3)) / (c_da_f) cqss(sqssCH2CHO) = (C_F_F - (c_cr_b) * cqss(sqssHCCO) - (c_cp_e) & * cqss(sqssCH) - (c_co_d) * cqss(sqssC2H3)) & / (c_cl_b) cqss(sqssC3H3) = (C_E_E - (c_ce_b) * cqss(sqssCH2GSG) - (c_cc_d) & * cqss(sqssC3H5XA) - (c_cb_e) * cqss(sqssCH) & - (c_ca_d) * cqss(sqssC2H3) - (c_cz_d) * cqss(sqssC4H71X3) & - (c_by_b) * cqss(sqssC2H)) / (c_bw_e) cqss(sqssC3H2) = (C_D_D - (c_bq_b) * cqss(sqssCH2GSG) - (c_bp_b) & * cqss(sqssHCCO) - (c_bn_c) * cqss(sqssCH) & - (c_bm_d) * cqss(sqssC2H3) - (c_bk_b) * cqss(sqssC2H) & - (c_bj_b) * cqss(sqssCH2CHO) - (c_bi_d) * cqss(sqssC3H3)) & / (c_bh_b) cqss(sqssC4H6) = C_C_C - (C4H6_C3H5XA) * cqss(sqssC3H5XA) - (c_ay_b) & * cqss(sqssC2H3) - (C4H6_C4H71X3) * cqss(sqssC4H71X3) & - (C4H6_C3H3) * cqss(sqssC3H3) cqss(sqssC) = C_B_B - (c_al_b) * cqss(sqssCH) cqss(sqssHCO) = C_A_A - (HCO_CH2GSG) * cqss(sqssCH2GSG) - (c_z_a) & * cqss(sqssHCCO) - (c_x_a) * cqss(sqssCH) - (c_w_a) & * cqss(sqssC2H3) - (HCO_C2H) * cqss(sqssC2H) & - (c_t_a) * cqss(sqssCH2CHO) - (HCO_C3H2) * cqss(sqssC3H2) cqss(sqssCH2CO) = CH2CO_ct - (CH2CO_HCCO) * cqss(sqssHCCO) - (CH2CO_CH) & * cqss(sqssCH) - (CH2CO_C2H3) * cqss(sqssC2H3) & - (CH2CO_CH2CHO) * cqss(sqssCH2CHO) cqss = max(cqss, 1e-60_pr) cqss = min(cqss, 1e03_pr) return end subroutine get_qss ! ----------------------------------------------- ! ! Mass fractions to concentrations ! ! ----------------------------------------------- ! subroutine y2c(y, W_sp, P, T, c) implicit none real(pr),dimension(nspec) :: W_sp real(pr),dimension(nspec) :: c, y real(pr) :: rho, P, T, inv_W_g integer :: k ! Gas molecular weight inverse inv_W_g = 0.0_pr do k =1, nspec inv_W_g = inv_W_g + y(k) / W_sp(k) end do ! Gas density rho = P / (Rcst * inv_W_g * T) ! Conversion c = y * rho / W_sp ! Concentrations clipping c = max(c, 1e-30_pr) return end subroutine y2c end module mod_customkinetics ! ----------------------------------------------- ! ! Cantera routine ! ! ----------------------------------------------- ! subroutine customkinetics(P, T, y, wdot) use mod_customkinetics implicit none real(pr), dimension(nspec) :: y, c, wdot, cdot real(pr), dimension(nqss) :: cqss real(pr), dimension(nreac + nreac_reverse) :: w,k real(pr), dimension(nTB + nFO) :: M real(pr) :: P, T, rho ! Convert to concentrations call y2c(y, W_sp, P, T, c) ! Evaluate QSS concentrations and reaction rates 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) ! Evaluate production rates call get_production_rates(wdot,w) return end subroutine customkinetics