!-------------------------------------------------------------------------------------------------- ! Copyright (c) CERFACS (all rights reserved) !-------------------------------------------------------------------------------------------------- ! FILE /Users/cazeres/Programs/Work/Reduction/ARCANE_Database/database/S39R276QSS15_2/S39R276QSS15_2.f90 !> @file /Users/cazeres/Programs/Work/Reduction/ARCANE_Database/database/S39R276QSS15_2/S39R276QSS15_2.f90 !! Module for calculating the analytical source terms in Cantera !! @details !! @authors Quentin Cazeres !! @date 2020/09/07 !! @since 2.3 !! @note !-------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------- ! MODULE mod_customkinetics !> @details Generated by ARCANE custom kinetics routine to compute the chemical source terms. !! @authors Q. Cazères, P. Pepiot !! @date 2019/01/24 !-------------------------------------------------------------------------------------------------- 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 elements in the chemical system integer, parameter :: ne = 3 ! Number of non-qss and qss species and reactions integer, parameter :: nspec = 39 integer, parameter :: nqss = 15 integer, parameter :: nreac = 276 integer, parameter :: nreac_reverse = 158 ! Actual expression of each reaction character(len=65), dimension(nreac + nreac_reverse) :: reacexp ! Number of thirdbodies integer, parameter :: nTB = 4 integer, parameter :: nFO = 16 integer, parameter :: nTB_reverse = 4 integer, parameter :: nFO_reverse = 16 ! Index of elements integer, parameter :: eH = 1 integer, parameter :: eO = 2 integer, parameter :: eC = 3 ! 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 :: sH2O2 = 8 integer, parameter :: sHO2 = 9 integer, parameter :: sCO = 10 integer, parameter :: sCO2 = 11 integer, parameter :: sCH4 = 12 integer, parameter :: sCH3 = 13 integer, parameter :: sCH2O = 14 integer, parameter :: sC2H6 = 15 integer, parameter :: sC2H5 = 16 integer, parameter :: sC2H4 = 17 integer, parameter :: sC2H2 = 18 integer, parameter :: sNC3H7 = 19 integer, parameter :: sC3H6 = 20 integer, parameter :: sC2H3CHO = 21 integer, parameter :: sC4H6 = 22 integer, parameter :: sC6H5 = 23 integer, parameter :: sC5H6 = 24 integer, parameter :: sNC5H10 = 25 integer, parameter :: sCYC6H10 = 26 integer, parameter :: sNC7H14 = 27 integer, parameter :: sRCRESOLO = 28 integer, parameter :: sXYLENE = 29 integer, parameter :: sRXYLENE = 30 integer, parameter :: sRMCYC6 = 31 integer, parameter :: sMCYC6 = 32 integer, parameter :: sNC10H21 = 33 integer, parameter :: sNC12H25 = 34 integer, parameter :: sNC10H19 = 35 integer, parameter :: sNC12H26 = 36 integer, parameter :: sNC10H20 = 37 integer, parameter :: sC4H8GL1G = 38 integer, parameter :: sCH3OGL1G = 39 integer, parameter :: sqssCH2GSG = 1 integer, parameter :: sqssHCO = 2 integer, parameter :: sqssC2H3 = 3 integer, parameter :: sqssC2H = 4 integer, parameter :: sqssCH2CHO = 5 integer, parameter :: sqssHCCO = 6 integer, parameter :: sqssC3H5XA = 7 integer, parameter :: sqssC3H5O = 8 integer, parameter :: sqssPC4H9 = 9 integer, parameter :: sqssC4H71X3 = 10 integer, parameter :: sqssC4H71X4 = 11 integer, parameter :: sqssC5H5 = 12 integer, parameter :: sqssNC5H11 = 13 integer, parameter :: sqssNC7H15 = 14 integer, parameter :: sqssC7H7GL1G = 15 ! 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 :: r1b = 277 integer, parameter :: r2b = 278 integer, parameter :: r3b = 279 integer, parameter :: r4b = 280 integer, parameter :: r5b = 281 integer, parameter :: r6b = 282 integer, parameter :: r7b = 283 integer, parameter :: r8b = 284 integer, parameter :: r9b = 285 integer, parameter :: r10b = 286 integer, parameter :: r11b = 287 integer, parameter :: r12b = 288 integer, parameter :: r13b = 289 integer, parameter :: r14b = 290 integer, parameter :: r15b = 291 integer, parameter :: r16b = 292 integer, parameter :: r17b = 293 integer, parameter :: r18b = 294 integer, parameter :: r19b = 295 integer, parameter :: r20b = 296 integer, parameter :: r21b = 297 integer, parameter :: r22b = 298 integer, parameter :: r23b = 299 integer, parameter :: r24b = 300 integer, parameter :: r25b = 301 integer, parameter :: r26b = 302 integer, parameter :: r27b = 303 integer, parameter :: r29b = 304 integer, parameter :: r30b = 305 integer, parameter :: r31b = 306 integer, parameter :: r32b = 307 integer, parameter :: r33b = 308 integer, parameter :: r34b = 309 integer, parameter :: r35b = 310 integer, parameter :: r36b = 311 integer, parameter :: r37b = 312 integer, parameter :: r38b = 313 integer, parameter :: r39b = 314 integer, parameter :: r40b = 315 integer, parameter :: r41b = 316 integer, parameter :: r42b = 317 integer, parameter :: r43b = 318 integer, parameter :: r44b = 319 integer, parameter :: r45b = 320 integer, parameter :: r46b = 321 integer, parameter :: r47b = 322 integer, parameter :: r48b = 323 integer, parameter :: r49b = 324 integer, parameter :: r51b = 325 integer, parameter :: r52b = 326 integer, parameter :: r53b = 327 integer, parameter :: r54b = 328 integer, parameter :: r55b = 329 integer, parameter :: r56b = 330 integer, parameter :: r57b = 331 integer, parameter :: r58b = 332 integer, parameter :: r59b = 333 integer, parameter :: r60b = 334 integer, parameter :: r61b = 335 integer, parameter :: r62b = 336 integer, parameter :: r63b = 337 integer, parameter :: r64b = 338 integer, parameter :: r65b = 339 integer, parameter :: r66b = 340 integer, parameter :: r67b = 341 integer, parameter :: r68b = 342 integer, parameter :: r69b = 343 integer, parameter :: r70b = 344 integer, parameter :: r71b = 345 integer, parameter :: r72b = 346 integer, parameter :: r73b = 347 integer, parameter :: r74b = 348 integer, parameter :: r75b = 349 integer, parameter :: r76b = 350 integer, parameter :: r77b = 351 integer, parameter :: r80b = 352 integer, parameter :: r81b = 353 integer, parameter :: r82b = 354 integer, parameter :: r83b = 355 integer, parameter :: r84b = 356 integer, parameter :: r85b = 357 integer, parameter :: r86b = 358 integer, parameter :: r88b = 359 integer, parameter :: r91b = 360 integer, parameter :: r92b = 361 integer, parameter :: r93b = 362 integer, parameter :: r94b = 363 integer, parameter :: r95b = 364 integer, parameter :: r96b = 365 integer, parameter :: r97b = 366 integer, parameter :: r98b = 367 integer, parameter :: r99b = 368 integer, parameter :: r100b = 369 integer, parameter :: r101b = 370 integer, parameter :: r102b = 371 integer, parameter :: r103b = 372 integer, parameter :: r104b = 373 integer, parameter :: r105b = 374 integer, parameter :: r106b = 375 integer, parameter :: r107b = 376 integer, parameter :: r108b = 377 integer, parameter :: r109b = 378 integer, parameter :: r110b = 379 integer, parameter :: r111b = 380 integer, parameter :: r112b = 381 integer, parameter :: r113b = 382 integer, parameter :: r114b = 383 integer, parameter :: r115b = 384 integer, parameter :: r116b = 385 integer, parameter :: r117b = 386 integer, parameter :: r118b = 387 integer, parameter :: r119b = 388 integer, parameter :: r120b = 389 integer, parameter :: r121b = 390 integer, parameter :: r122b = 391 integer, parameter :: r123b = 392 integer, parameter :: r124b = 393 integer, parameter :: r125b = 394 integer, parameter :: r126b = 395 integer, parameter :: r127b = 396 integer, parameter :: r128b = 397 integer, parameter :: r129b = 398 integer, parameter :: r130b = 399 integer, parameter :: r131b = 400 integer, parameter :: r132b = 401 integer, parameter :: r133b = 402 integer, parameter :: r134b = 403 integer, parameter :: r135b = 404 integer, parameter :: r136b = 405 integer, parameter :: r137b = 406 integer, parameter :: r138b = 407 integer, parameter :: r139b = 408 integer, parameter :: r140b = 409 integer, parameter :: r141b = 410 integer, parameter :: r146b = 411 integer, parameter :: r149b = 412 integer, parameter :: r153b = 413 integer, parameter :: r154b = 414 integer, parameter :: r171b = 415 integer, parameter :: r182b = 416 integer, parameter :: r198b = 417 integer, parameter :: r199b = 418 integer, parameter :: r200b = 419 integer, parameter :: r202b = 420 integer, parameter :: r203b = 421 integer, parameter :: r205b = 422 integer, parameter :: r206b = 423 integer, parameter :: r209b = 424 integer, parameter :: r210b = 425 integer, parameter :: r211b = 426 integer, parameter :: r212b = 427 integer, parameter :: r213b = 428 integer, parameter :: r216b = 429 integer, parameter :: r217b = 430 integer, parameter :: r218b = 431 integer, parameter :: r224b = 432 integer, parameter :: r234b = 433 integer, parameter :: r248b = 434 ! Index of third body species integer, parameter :: mM4 = 1 integer, parameter :: mM45 = 2 integer, parameter :: mM65 = 3 integer, parameter :: mM146 = 4 integer, parameter :: mM6 = 5 integer, parameter :: mM18 = 6 integer, parameter :: mM19 = 7 integer, parameter :: mM22 = 8 integer, parameter :: mM51 = 9 integer, parameter :: mM52 = 10 integer, parameter :: mM53 = 11 integer, parameter :: mM54 = 12 integer, parameter :: mM59 = 13 integer, parameter :: mM64 = 14 integer, parameter :: mM71 = 15 integer, parameter :: mM86 = 16 integer, parameter :: mM91 = 17 integer, parameter :: mM114 = 18 integer, parameter :: mM182 = 19 integer, parameter :: mM234 = 20 ! Index of third body reactions integer, parameter :: TBr4f = 1 integer, parameter :: TBr45f = 2 integer, parameter :: TBr65f = 3 integer, parameter :: TBr146f = 4 integer, parameter :: TBr4b = 5 integer, parameter :: TBr45b = 6 integer, parameter :: TBr65b = 7 integer, parameter :: TBr146b = 8 ! Index of fall off reactions integer, parameter :: FOr6f = 1 integer, parameter :: FOr18f = 2 integer, parameter :: FOr19f = 3 integer, parameter :: FOr22f = 4 integer, parameter :: FOr51f = 5 integer, parameter :: FOr52f = 6 integer, parameter :: FOr53f = 7 integer, parameter :: FOr54f = 8 integer, parameter :: FOr59f = 9 integer, parameter :: FOr64f = 10 integer, parameter :: FOr71f = 11 integer, parameter :: FOr86f = 12 integer, parameter :: FOr91f = 13 integer, parameter :: FOr114f = 14 integer, parameter :: FOr182f = 15 integer, parameter :: FOr234f = 16 integer, parameter :: FOr6b = 17 integer, parameter :: FOr18b = 18 integer, parameter :: FOr19b = 19 integer, parameter :: FOr22b = 20 integer, parameter :: FOr51b = 21 integer, parameter :: FOr52b = 22 integer, parameter :: FOr53b = 23 integer, parameter :: FOr54b = 24 integer, parameter :: FOr59b = 25 integer, parameter :: FOr64b = 26 integer, parameter :: FOr71b = 27 integer, parameter :: FOr86b = 28 integer, parameter :: FOr91b = 29 integer, parameter :: FOr114b = 30 integer, parameter :: FOr182b = 31 integer, parameter :: FOr234b = 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 0.03401468_pr, & ! H2O2 0.03300674_pr, & ! HO2 0.0280104_pr, & ! CO 0.0440098_pr, & ! CO2 0.01604276_pr, & ! CH4 0.01503482_pr, & ! CH3 0.03002628_pr, & ! CH2O 0.03006964_pr, & ! C2H6 0.0290617_pr, & ! C2H5 0.02805376_pr, & ! C2H4 0.02603788_pr, & ! C2H2 0.04308858_pr, & ! NC3H7 0.04208064_pr, & ! C3H6 0.05606416_pr, & ! C2H3CHO 0.05409164_pr, & ! C4H6 0.0771057_pr, & ! C6H5 0.06610264_pr, & ! C5H6 0.0701344_pr, & ! NC5H10 0.0821454_pr, & ! CYC6H10 0.09818816_pr, & ! NC7H14 0.10713198_pr, & ! RCRESOLO 0.1061674_pr, & ! XYLENE 0.10515946_pr, & ! RXYLENE 0.09718022_pr, & ! RMCYC6 0.09818816_pr, & ! MCYC6 0.14127674_pr, & ! NC10H21 0.1693305_pr, & ! NC12H25 0.13926086_pr, & ! NC10H19 0.17033844_pr, & ! NC12H26 0.1402688_pr, & ! NC10H20 0.05610752_pr, & ! C4H8GL1G 0.03103422_pr & ! CH3OGL1G !0.01402688_pr, & ! CH2GSG !0.02901834_pr, & ! HCO !0.02704582_pr, & ! C2H3 !0.02502994_pr, & ! C2H !0.04304522_pr, & ! CH2CHO !0.04102934_pr, & ! HCCO !0.0410727_pr, & ! C3H5XA !0.0570721_pr, & ! C3H5O !0.05711546_pr, & ! PC4H9 !0.05509958_pr, & ! C4H71X3 !0.05509958_pr, & ! C4H71X4 !0.0650947_pr, & ! C5H5 !0.07114234_pr, & ! NC5H11 !0.0991961_pr, & ! NC7H15 !0.09113258_pr & ! C7H7GL1G /) 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), tiny(1.0_pr)) + tiny(1.0_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) = (2_pr)*c(sC2H6) & + (1_pr)*c(sCH4) & + (-0.27_pr)*c(sH2) & + (2.65_pr)*c(sH2O) & + sum(c) M(mM45) = (2_pr)*c(sC2H6) & + (1_pr)*c(sCH4) & + (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (1_pr)*c(sH2) & + (5_pr)*c(sH2O) & + sum(c) M(mM65) = (2_pr)*c(sC2H6) & + (1_pr)*c(sCH4) & + (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (1_pr)*c(sH2) & + (5_pr)*c(sH2O) & + sum(c) M(mM146) = sum(c) M(mM6) = (1.8_pr)*c(sCO) & + (0.6_pr)*c(sCO2) & + (2.7_pr)*c(sH2) & + (6.65_pr)*c(sH2O) & + (6.7_pr)*c(sH2O2) & + (0.5_pr)*c(sN2) & + (0.2_pr)*c(sO2) & + sum(c) M(mM18) = (2_pr)*c(sC2H6) & + (1_pr)*c(sCH4) & + (0.9_pr)*c(sCO) & + (2.8_pr)*c(sCO2) & + (0.3_pr)*c(sH2) & + (9_pr)*c(sH2O) & + sum(c) M(mM19) = (0.75_pr)*c(sCO) & + (2.6_pr)*c(sCO2) & + (1_pr)*c(sH2) & + (11_pr)*c(sH2O) & + sum(c) M(mM22) = (2_pr)*c(sC2H6) & + (1_pr)*c(sCH4) & + (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (1_pr)*c(sH2) & + (5_pr)*c(sH2O) & + sum(c) M(mM51) = (2_pr)*c(sC2H6) & + (1_pr)*c(sCH4) & + (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (1_pr)*c(sH2) & + (5_pr)*c(sH2O) & + sum(c) M(mM52) = (2_pr)*c(sC2H6) & + (1_pr)*c(sCH4) & + (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (1_pr)*c(sH2) & + (5_pr)*c(sH2O) & + sum(c) M(mM53) = (1_pr)*c(sCO) & + (2_pr)*c(sCO2) & + (4_pr)*c(sH2O) & + sum(c) M(mM54) = (2_pr)*c(sC2H6) & + (1_pr)*c(sCH4) & + (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (1_pr)*c(sH2) & + (5_pr)*c(sH2O) & + sum(c) M(mM59) = (2_pr)*c(sC2H6) & + (1_pr)*c(sCH4) & + (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (1_pr)*c(sH2) & + (5_pr)*c(sH2O) & + sum(c) M(mM64) = (2_pr)*c(sC2H6) & + (1_pr)*c(sCH4) & + (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (1_pr)*c(sH2) & + (5_pr)*c(sH2O) & + sum(c) M(mM71) = (2_pr)*c(sC2H6) & + (1_pr)*c(sCH4) & + (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (1_pr)*c(sH2) & + (5_pr)*c(sH2O) & + sum(c) M(mM86) = sum(c) M(mM91) = sum(c) M(mM114) = (2_pr)*c(sC2H6) & + (1_pr)*c(sCH4) & + (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (1_pr)*c(sH2) & + (5_pr)*c(sH2O) & + sum(c) M(mM182) = (2_pr)*c(sC2H6) & + (1_pr)*c(sCH4) & + (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (1_pr)*c(sH2) & + (5_pr)*c(sH2O) & + sum(c) M(mM234) = 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_0(FOr6f) = (2.49e+18_pr)*exp((-203965.816_pr)*R_T_inv + T_log *(-2.3_pr)) k_inf(FOr6f) = (2000000000000_pr)*exp((-203965.816_pr)*R_T_inv + T_log *(0.9_pr)) FC(FOr6f) = ((1.0_pr - 0.43_pr)*exp(-Tloc/(1e-30_pr))) + (0.43_pr*exp(-Tloc/(1e+30_pr))) k(r6f) = getlindratecoeff(Tloc,k_0(FOr6f),k_inf(FOr6f),FC(FOr6f), M(mM6),Ploc) k(r7f) = (24100000_pr)*exp((-16610.48_pr)*R_T_inv) k(r8f) = (21500_pr)*exp((-25104_pr)*R_T_inv + T_log *(1_pr)) k(r9f) = (1740000_pr)*exp((-1330.512_pr)*R_T_inv) k(r10f) = (75900000_pr)*exp((-30413.496_pr)*R_T_inv) k(r11f) = (70790000_pr)*exp((-1234.28_pr)*R_T_inv) k(r12f) = (11402_pr)*exp((-2317.01552_pr)*R_T_inv + T_log *(1.083_pr)) k(r13f) = (32500000_pr) k(r14f) = (7000000_pr)*exp((4572.94464_pr)*R_T_inv) k(r15f) = (450000000_pr)*exp((-45729.4464_pr)*R_T_inv) k(r16f) = (100000000_pr)*exp((-46195.04192_pr)*R_T_inv) k(r17f) = (190000_pr)*exp((5894.92128_pr)*R_T_inv) k_0(FOr18f) = (17400000_pr)*exp(T_log *(-1.23_pr)) k_inf(FOr18f) = (4650000_pr)*exp(T_log *(0.44_pr)) FC(FOr18f) = ((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(r18f) = getlindratecoeff(Tloc,k_0(FOr18f),k_inf(FOr18f),FC(FOr18f), M(mM18),Ploc) k_0(FOr19f) = (1170000000000_pr)*exp((-17535.144_pr)*R_T_inv + T_log *(-2.79_pr)) k_inf(FOr19f) = (13620_pr)*exp((-9974.656_pr)*R_T_inv) k(r19f) = getlindratecoeff(Tloc,k_0(FOr19f),k_inf(FOr19f),1.0_pr, M(mM19),Ploc) k(r20f) = (0.07015_pr)*exp((1488.2488_pr)*R_T_inv + T_log *(2.053_pr)) k(r21f) = (5757000_pr)*exp((-1388.2512_pr)*R_T_inv + T_log *(-0.664_pr)) k_0(FOr22f) = (2.48e+21_pr)*exp((-10208.96_pr)*R_T_inv + T_log *(-4.76_pr)) k_inf(FOr22f) = (12700000000_pr)*exp((-1602.472_pr)*R_T_inv + T_log *(-0.63_pr)) FC(FOr22f) = ((1.0_pr - 0.783_pr)*exp(-Tloc/(74_pr))) + (0.783_pr*exp(-Tloc/(2941_pr)))& + exp(-(6964_pr)/Tloc) k(r22f) = getlindratecoeff(Tloc,k_0(FOr22f),k_inf(FOr22f),FC(FOr22f), M(mM22),Ploc) k(r23f) = (0.614_pr)*exp((-40112.008_pr)*R_T_inv + T_log *(2.5_pr)) k(r24f) = (1020_pr)*exp((-35982.4_pr)*R_T_inv + T_log *(1.5_pr)) k(r25f) = (0.0583_pr)*exp((-9162.96_pr)*R_T_inv + T_log *(2.6_pr)) k(r26f) = (1.13e-05_pr)*exp((-87905.84_pr)*R_T_inv + T_log *(3.74_pr)) k(r27f) = (0.116_pr)*exp((12644.048_pr)*R_T_inv + T_log *(2.23_pr)) k(r28f) = (28000000_pr) k(r29f) = (12000000_pr) k(r30f) = (70000000_pr) k(r31f) = (2.641e-06_pr)*exp((-33911.32_pr)*R_T_inv + T_log *(3.283_pr)) k(r32f) = (55400000_pr)*exp((569.024_pr)*R_T_inv + T_log *(0.05_pr)) k(r33f) = (528200000000_pr)*exp((-7414.048_pr)*R_T_inv + T_log *(-1.518_pr)) k(r34f) = (46860_pr)*exp((-14920.144_pr)*R_T_inv + T_log *(0.833_pr)) k(r35f) = (1230_pr)*exp((-49998.8_pr)*R_T_inv + T_log *(1.011_pr)) k(r36f) = (1000000_pr)*exp((2876.5_pr)*R_T_inv + T_log *(0.269_pr)) k(r37f) = (4.308104e+17_pr)*exp((-83571.75992_pr)*R_T_inv + T_log *(-2.343044_pr)) k(r38f) = (2.45922e-14_pr)*exp((4952.994096_pr)*R_T_inv + T_log *(6.219929_pr)) k(r39f) = (6.73759e+17_pr)*exp((-18063.189904_pr)*R_T_inv + T_log *(-3.280071_pr)) k(r40f) = (6260_pr)*exp((-9455.84_pr)*R_T_inv + T_log *(1.15_pr)) k(r41f) = (57.4_pr)*exp((-11464.16_pr)*R_T_inv + T_log *(1.9_pr)) k(r42f) = (78.2_pr)*exp((4414.12_pr)*R_T_inv + T_log *(1.63_pr)) k(r43f) = (0.0188_pr)*exp((-48199.68_pr)*R_T_inv + T_log *(2.7_pr)) k(r44f) = (3.83e-05_pr)*exp((-18041.408_pr)*R_T_inv + T_log *(3.36_pr)) k(r45f) = (570000_pr)*exp((-62216.08_pr)*R_T_inv + T_log *(0.66_pr)) k(r46f) = (7580000_pr)*exp((-1715.44_pr)*R_T_inv) k(r47f) = (73400000_pr) k(r48f) = (30110000_pr) k(r49f) = (26500000_pr) k(r50f) = (30000000_pr) k_0(FOr51f) = (1.27e+20_pr)*exp((-27321.52_pr)*R_T_inv + T_log *(-4.82_pr)) k_inf(FOr51f) = (540000_pr)*exp((-15062.4_pr)*R_T_inv + T_log *(0.454_pr)) FC(FOr51f) = ((1.0_pr - 0.7187_pr)*exp(-Tloc/(103_pr))) + (0.7187_pr*exp(-Tloc/(1291_pr)))& + exp(-(4160_pr)/Tloc) k(r51f) = getlindratecoeff(Tloc,k_0(FOr51f),k_inf(FOr51f),FC(FOr51f), M(mM51),Ploc) k_0(FOr52f) = (1.049941e+30_pr)*exp((-119763.69464_pr)*R_T_inv + T_log *(-6.280071_pr)) k_inf(FOr52f) = (3.817968e+24_pr)*exp((-127558.48664_pr)*R_T_inv + T_log *(-3.280071_pr)) FC(FOr52f) = ((1.0_pr - 0.9_pr)*exp(-Tloc/(2500_pr))) + (0.9_pr*exp(-Tloc/(1300_pr)))& + exp(-(1e+99_pr)/Tloc) k(r52f) = getlindratecoeff(Tloc,k_0(FOr52f),k_inf(FOr52f),FC(FOr52f), M(mM52),Ploc) k_0(FOr53f) = (8.05e+19_pr)*exp((-4107.0144_pr)*R_T_inv + T_log *(-3.75_pr)) k_inf(FOr53f) = (2277000000_pr)*exp((-731.7816_pr)*R_T_inv + T_log *(-0.69_pr)) FC(FOr53f) = ((1.0_pr - 0_pr)*exp(-Tloc/(570_pr))) + (0_pr*exp(-Tloc/(1e+30_pr)))& + exp(-(1e+30_pr)/Tloc) k(r53f) = getlindratecoeff(Tloc,k_0(FOr53f),k_inf(FOr53f),FC(FOr53f), M(mM53),Ploc) k_0(FOr54f) = (1.99e+29_pr)*exp((-27970.04_pr)*R_T_inv + T_log *(-7.08_pr)) k_inf(FOr54f) = (521000000000_pr)*exp((-6610.72_pr)*R_T_inv + T_log *(-0.99_pr)) FC(FOr54f) = ((1.0_pr - 0.842_pr)*exp(-Tloc/(125_pr))) + (0.842_pr*exp(-Tloc/(2219_pr)))& + exp(-(6882_pr)/Tloc) k(r54f) = getlindratecoeff(Tloc,k_0(FOr54f),k_inf(FOr54f),FC(FOr54f), M(mM54),Ploc) k(r55f) = (3.55_pr)*exp((-24392.72_pr)*R_T_inv + T_log *(2.4_pr)) k(r56f) = (115_pr)*exp((-31505.52_pr)*R_T_inv + T_log *(1.9_pr)) k(r57f) = (14.8_pr)*exp((-3974.8_pr)*R_T_inv + T_log *(1.9_pr)) k(r58f) = (5.55e-10_pr)*exp((-13518.504_pr)*R_T_inv + T_log *(4.72_pr)) k_0(FOr59f) = (1.42e+27_pr)*exp((-24137.496_pr)*R_T_inv + T_log *(-6.642_pr)) k_inf(FOr59f) = (956.9_pr)*exp((-5669.32_pr)*R_T_inv + T_log *(1.463_pr)) FC(FOr59f) = ((1.0_pr - -0.569_pr)*exp(-Tloc/(299_pr))) + (-0.569_pr*exp(-Tloc/(-9147_pr)))& + exp(-(152.4_pr)/Tloc) k(r59f) = getlindratecoeff(Tloc,k_0(FOr59f),k_inf(FOr59f),FC(FOr59f), M(mM59),Ploc) k(r60f) = (2000000_pr) k(r61f) = (0.0118_pr)*exp((12221.464_pr)*R_T_inv + T_log *(2.45_pr)) k(r62f) = (310000000_pr)*exp((-55950.54_pr)*R_T_inv + T_log *(-0.362_pr)) k(r63f) = (18.43_pr)*exp((3014.9904_pr)*R_T_inv + T_log *(1.13_pr)) k_0(FOr64f) = (1.4e+18_pr)*exp((-13890.88_pr)*R_T_inv + T_log *(-3.86_pr)) k_inf(FOr64f) = (6080000_pr)*exp((-1171.52_pr)*R_T_inv + T_log *(0.27_pr)) FC(FOr64f) = ((1.0_pr - 0.782_pr)*exp(-Tloc/(207.5_pr))) + (0.782_pr*exp(-Tloc/(2663_pr)))& + exp(-(6095_pr)/Tloc) k(r64f) = getlindratecoeff(Tloc,k_0(FOr64f),k_inf(FOr64f),FC(FOr64f), M(mM64),Ploc) k(r65f) = (26100000000_pr)*exp((-283771.432_pr)*R_T_inv) k(r66f) = (50.7_pr)*exp((-54182.8_pr)*R_T_inv + T_log *(1.93_pr)) k(r67f) = (0.0223_pr)*exp((-9269.652_pr)*R_T_inv + T_log *(2.745_pr)) k(r68f) = (0.000976_pr)*exp((-63379.232_pr)*R_T_inv + T_log *(2.947_pr)) k(r69f) = (7.453_pr)*exp((-765.672_pr)*R_T_inv + T_log *(1.88_pr)) k(r70f) = (6.098_pr)*exp((-765.672_pr)*R_T_inv + T_log *(1.88_pr)) k_0(FOr71f) = (6.35e+19_pr)*exp((-15815.52_pr)*R_T_inv + T_log *(-4.664_pr)) k_inf(FOr71f) = (17100_pr)*exp((-11334.456_pr)*R_T_inv + T_log *(1.266_pr)) FC(FOr71f) = ((1.0_pr - 0.788_pr)*exp(-Tloc/(-10200_pr))) + (0.788_pr*exp(-Tloc/(1e-30_pr))) k(r71f) = getlindratecoeff(Tloc,k_0(FOr71f),k_inf(FOr71f),FC(FOr71f), M(mM71),Ploc) k(r72f) = (710000000000000_pr)*exp((-27149.976_pr)*R_T_inv + T_log *(-2.65_pr)) k(r73f) = (20200_pr)*exp((-160.6656_pr)*R_T_inv + T_log *(0.58_pr)) k(r74f) = (21.5_pr)*exp((-14087.528_pr)*R_T_inv + T_log *(1.19_pr)) k(r75f) = (4.6e-05_pr)*exp((2061.8752_pr)*R_T_inv + T_log *(2.76_pr)) k(r76f) = (2.73e+29_pr)*exp((-49454.88_pr)*R_T_inv + T_log *(-7.32_pr)) k(r77f) = (6080000000_pr)*exp((-2701.6088_pr)*R_T_inv + T_log *(-1.31_pr)) k(r78f) = (6.36e+29_pr)*exp((-49454.88_pr)*R_T_inv + T_log *(-7.32_pr)) k(r79f) = (14200000000_pr)*exp((-2701.6088_pr)*R_T_inv + T_log *(-1.31_pr)) k(r80f) = (96353000_pr) k(r81f) = (30110000_pr) k(r82f) = (2958_pr)*exp((-10342.848_pr)*R_T_inv + T_log *(1.28_pr)) k(r83f) = (10_pr)*exp((-25104_pr)*R_T_inv + T_log *(2_pr)) k(r84f) = (50000000_pr)*exp((-6276_pr)*R_T_inv) k(r85f) = (0.49_pr)*exp((-2343.04_pr)*R_T_inv + T_log *(2.5_pr)) k_0(FOr86f) = (9.52e+27_pr)*exp((-172799.2_pr)*R_T_inv + T_log *(-5.07_pr)) k_inf(FOr86f) = (2930000000000_pr)*exp((-168615.2_pr)*R_T_inv + T_log *(0.29_pr)) FC(FOr86f) = ((1.0_pr - 7.13e-17_pr)*exp(-Tloc/(1150_pr))) + (7.13e-17_pr*exp(-Tloc/(4990000000_pr)))& + exp(-(1790000000_pr)/Tloc) k(r86f) = getlindratecoeff(Tloc,k_0(FOr86f),k_inf(FOr86f),FC(FOr86f), M(mM86),Ploc) k(r87f) = (100000000_pr) k(r88f) = (100000000_pr) k(r89f) = (4780000_pr)*exp((-4811.6_pr)*R_T_inv + T_log *(-0.142_pr)) k(r90f) = (7000000_pr)*exp((4184_pr)*R_T_inv) k_0(FOr91f) = (4.27e+46_pr)*exp((-40876.8432_pr)*R_T_inv + T_log *(-11.94_pr)) k_inf(FOr91f) = (25000000_pr) FC(FOr91f) = ((1.0_pr - 0.175_pr)*exp(-Tloc/(1341_pr))) + (0.175_pr*exp(-Tloc/(60000_pr)))& + exp(-(10140_pr)/Tloc) k(r91f) = getlindratecoeff(Tloc,k_0(FOr91f),k_inf(FOr91f),FC(FOr91f), M(mM91),Ploc) k(r92f) = (5.3e+23_pr)*exp((-60249.6_pr)*R_T_inv + T_log *(-4.57_pr)) k(r93f) = (44800_pr)*exp((-5947.9744_pr)*R_T_inv + T_log *(0.6_pr)) k(r94f) = (1.08e+71_pr)*exp((-522414.24_pr)*R_T_inv + T_log *(-15.9_pr)) k(r95f) = (6.28e+42_pr)*exp((-410048.736_pr)*R_T_inv + T_log *(-8.51_pr)) k(r96f) = (0.3644_pr)*exp((-18247.2608_pr)*R_T_inv + T_log *(2.455_pr)) k(r97f) = (120000000000000_pr)*exp((-193267.7464_pr)*R_T_inv + T_log *(-1.67_pr)) k(r98f) = (524000_pr)*exp((-24618.656_pr)*R_T_inv + T_log *(0.7_pr)) k(r99f) = (4.46_pr)*exp((-4396.5472_pr)*R_T_inv + T_log *(2.072_pr)) k(r100f) = (3.07e-08_pr)*exp((-56681.4848_pr)*R_T_inv + T_log *(4.403_pr)) k(r101f) = (2.21e-06_pr)*exp((-23744.2_pr)*R_T_inv + T_log *(3.5_pr)) k(r102f) = (7.45_pr)*exp((-765.672_pr)*R_T_inv + T_log *(1.88_pr)) k(r103f) = (1.04e+43_pr)*exp((-64262.056_pr)*R_T_inv + T_log *(-11.5_pr)) k(r104f) = (3.78e+22_pr)*exp((-23535.4184_pr)*R_T_inv + T_log *(-5.57_pr)) k(r105f) = (7.67e+41_pr)*exp((-93579.344_pr)*R_T_inv + T_log *(-11.17_pr)) k(r106f) = (2.6e+27_pr)*exp((-51948.544_pr)*R_T_inv + T_log *(-7.46_pr)) k(r107f) = (400000_pr) k(r108f) = (777000000000_pr)*exp((-9954.5728_pr)*R_T_inv + T_log *(-1.52_pr)) k(r109f) = (1.07e+26_pr)*exp((-103022.2136_pr)*R_T_inv + T_log *(-4.56_pr)) k(r110f) = (1.15e+25_pr)*exp((-84982.0608_pr)*R_T_inv + T_log *(-4.24_pr)) k(r111f) = (1.07e+24_pr)*exp((-79433.24_pr)*R_T_inv + T_log *(-4.16_pr)) k(r112f) = (500000_pr)*exp((-12552_pr)*R_T_inv) k(r113f) = (500000_pr)*exp((-12552_pr)*R_T_inv) k_0(FOr114f) = (3.91e+48_pr)*exp((-26150_pr)*R_T_inv + T_log *(-12.81_pr)) k_inf(FOr114f) = (600000000_pr)*exp((1097.4632_pr)*R_T_inv + T_log *(-0.32_pr)) FC(FOr114f) = ((1.0_pr - 0.104_pr)*exp(-Tloc/(1606_pr))) + (0.104_pr*exp(-Tloc/(60000_pr)))& + exp(-(6118_pr)/Tloc) k(r114f) = getlindratecoeff(Tloc,k_0(FOr114f),k_inf(FOr114f),FC(FOr114f), M(mM114),Ploc) k(r115f) = (50000000_pr)*exp((-20920_pr)*R_T_inv) k(r116f) = (511.6824_pr)*exp((-2906.2135128_pr)*R_T_inv + T_log *(1.341177_pr)) k(r117f) = (5664.138_pr)*exp((-15710.426288_pr)*R_T_inv + T_log *(1.171177_pr)) k(r118f) = (0.0005150413_pr)*exp((-53696.53552_pr)*R_T_inv + T_log *(3.111177_pr)) k(r119f) = (0.02687172_pr)*exp((-76532.80752_pr)*R_T_inv + T_log *(2.731177_pr)) k(r120f) = (115258600_pr)*exp((-29354.031888_pr)*R_T_inv + T_log *(-0.1588232_pr)) k(r121f) = (74424130000_pr)*exp((-37579.775888_pr)*R_T_inv + T_log *(-0.8588232_pr)) k(r122f) = (65862070000_pr)*exp((-160338.32752_pr)*R_T_inv + T_log *(-0.8588232_pr)) k(r123f) = (1.353133e+18_pr)*exp((-18063.189904_pr)*R_T_inv + T_log *(-3.280071_pr)) k(r124f) = (85300000_pr)*exp((-198698.62024_pr)*R_T_inv + T_log *(1.95_pr)) k(r125f) = (28400000000_pr)*exp((-163170.9792_pr)*R_T_inv + T_log *(0.99_pr)) k(r126f) = (132000_pr)*exp((-139100.67824_pr)*R_T_inv + T_log *(2.28_pr)) k(r127f) = (5.62e-12_pr)*exp((-151464.23088_pr)*R_T_inv + T_log *(7.19_pr)) k(r128f) = (60300000_pr) k(r129f) = (94700000000_pr)*exp((-56119.992_pr)*R_T_inv + T_log *(-1.03_pr)) k(r130f) = (6020000000_pr)*exp((-35363.168_pr)*R_T_inv + T_log *(-0.49_pr)) k(r131f) = (1.9e+25_pr)*exp((-50074.112_pr)*R_T_inv + T_log *(-6.46_pr)) k(r132f) = (3.78e+26_pr)*exp((-30396.76_pr)*R_T_inv + T_log *(-6.63_pr)) k(r133f) = (7.47e+43_pr)*exp((-162012.848_pr)*R_T_inv + T_log *(-9.67_pr)) k(r134f) = (2.05e+42_pr)*exp((-194200.36_pr)*R_T_inv + T_log *(-9.61_pr)) k(r135f) = (4906.724_pr)*exp((-5501.047888_pr)*R_T_inv + T_log *(1.021177_pr)) k(r136f) = (1.975862e+16_pr)*exp((-297615.36752_pr)*R_T_inv + T_log *(-0.8588232_pr)) k(r137f) = (6.48e+26_pr)*exp((-110783.952_pr)*R_T_inv + T_log *(-4.91_pr)) k(r138f) = (1370000_pr)*exp((4351.36_pr)*R_T_inv) k(r139f) = (1370000_pr)*exp((4351.36_pr)*R_T_inv) k(r140f) = (240000_pr)*exp((3573.136_pr)*R_T_inv) k(r141f) = (23000000_pr) k(r142f) = (5000000_pr) k(r143f) = (700000_pr)*exp((-25104_pr)*R_T_inv) k(r144f) = (100000000_pr)*exp((-163176_pr)*R_T_inv) k(r145f) = (10000000_pr)*exp((-20920_pr)*R_T_inv) k(r146f) = (10000_pr) k(r147f) = (100000000_pr)*exp((-100416_pr)*R_T_inv) k(r148f) = (5000000_pr) k(r149f) = (43000000_pr) k(r150f) = (500000000_pr)*exp((-133888_pr)*R_T_inv) k(r151f) = (100000_pr)*exp((-31798.4_pr)*R_T_inv) k(r152f) = (300000_pr)*exp((-31798.4_pr)*R_T_inv) k(r153f) = (30000000000000_pr)*exp((-328444_pr)*R_T_inv) k(r154f) = (50000_pr)*exp((-112968_pr)*R_T_inv) k(r155f) = (10000000_pr)*exp((-12552_pr)*R_T_inv) k(r156f) = (1500000_pr) k(r157f) = (20000000_pr)*exp((-20920_pr)*R_T_inv) k(r158f) = (5000000_pr)*exp((-62760_pr)*R_T_inv) k(r159f) = (100000000_pr)*exp((-179912_pr)*R_T_inv) k(r160f) = (400000000_pr)*exp((-167360_pr)*R_T_inv) k(r161f) = (30000_pr)*exp((-33472_pr)*R_T_inv) k(r162f) = (2000000_pr)*exp((-14644_pr)*R_T_inv) k(r163f) = (60000_pr) k(r164f) = (25000000_pr) k(r165f) = (32500000_pr) k(r166f) = (50000000_pr) k(r167f) = (10000000_pr) k(r168f) = (500000_pr) k(r169f) = (50000000_pr)*exp((-171544_pr)*R_T_inv) k(r170f) = (9.9996_pr)*exp((13990.58472_pr)*R_T_inv + T_log *(2_pr)) k(r171f) = (31600000_pr)*exp((749.89832_pr)*R_T_inv + T_log *(0.281_pr)) k(r172f) = (8000000_pr) k(r173f) = (2000000_pr) k(r174f) = (20000000_pr) k(r175f) = (15000000_pr) k(r176f) = (100000000_pr)*exp((-18200.4_pr)*R_T_inv + T_log *(0.25_pr)) k(r177f) = (12500000_pr)*exp((-18200.4_pr)*R_T_inv + T_log *(0.25_pr)) k(r178f) = (0.57_pr)*exp((-9101.20416_pr)*R_T_inv + T_log *(2.39_pr)) k(r179f) = (0.00044453_pr)*exp((-19780.73864_pr)*R_T_inv + T_log *(2.91_pr)) k(r180f) = (100000000_pr)*exp((-7171.376_pr)*R_T_inv) k(r181f) = (1000000_pr)*exp((-8368_pr)*R_T_inv) k_0(FOr182f) = (1.33e+48_pr)*exp((-24969.2752_pr)*R_T_inv + T_log *(-12_pr)) k_inf(FOr182f) = (100000000_pr) FC(FOr182f) = ((1.0_pr - 0.02_pr)*exp(-Tloc/(1097_pr))) + (0.02_pr*exp(-Tloc/(10970_pr)))& + exp(-(6860_pr)/Tloc) k(r182f) = getlindratecoeff(Tloc,k_0(FOr182f),k_inf(FOr182f),FC(FOr182f), M(mM182),Ploc) k(r183f) = (4.7_pr)*exp((-33712.70552_pr)*R_T_inv + T_log *(2_pr)) k(r184f) = (18.8_pr)*exp((-33712.70552_pr)*R_T_inv + T_log *(2_pr)) k(r185f) = (6.4_pr)*exp((-104131.22464_pr)*R_T_inv + T_log *(2_pr)) k(r186f) = (21.6_pr)*exp((-10767.98424_pr)*R_T_inv + T_log *(2_pr)) k(r187f) = (0.216_pr)*exp((-14712.28288_pr)*R_T_inv + T_log *(2_pr)) k(r188f) = (16.92_pr)*exp((-4892.43488_pr)*R_T_inv + T_log *(2_pr)) k(r189f) = (5.76_pr)*exp((-58839.13176_pr)*R_T_inv + T_log *(2_pr)) k(r190f) = (11855.17_pr)*exp((-23102.633808_pr)*R_T_inv + T_log *(1.141177_pr)) k(r191f) = (118.5517_pr)*exp((-28328.282448_pr)*R_T_inv + T_log *(1.141177_pr)) k(r192f) = (5927.586_pr)*exp((-29943.264608_pr)*R_T_inv + T_log *(1.141177_pr)) k(r193f) = (59.27586_pr)*exp((-33655.058368_pr)*R_T_inv + T_log *(1.141177_pr)) k(r194f) = (133.9634_pr)*exp((-28518.445248_pr)*R_T_inv + T_log *(1.141177_pr)) k(r195f) = (23.5_pr)*exp((-10460_pr)*R_T_inv + T_log *(2_pr)) k(r196f) = (8_pr)*exp((-64912.70984_pr)*R_T_inv + T_log *(2_pr)) k(r197f) = (33000000000000_pr)*exp((-125520_pr)*R_T_inv) k(r198f) = (2e+16_pr)*exp((-311708_pr)*R_T_inv) k(r199f) = (5e+16_pr)*exp((-334720_pr)*R_T_inv) k(r200f) = (20000000_pr)*exp((-10460_pr)*R_T_inv) k(r201f) = (750000_pr)*exp((-12552_pr)*R_T_inv) k(r202f) = (197586200_pr)*exp((-36533.775888_pr)*R_T_inv + T_log *(-0.8588232_pr)) k(r203f) = (15000000000000_pr)*exp((-209200_pr)*R_T_inv) k(r204f) = (20000000_pr)*exp((-66944_pr)*R_T_inv) k(r205f) = (25000_pr)*exp((-62760_pr)*R_T_inv) k(r206f) = (1e+15_pr)*exp((-280328_pr)*R_T_inv) k(r207f) = (5000000_pr) k(r208f) = (3e+15_pr)*exp((-305432_pr)*R_T_inv) k(r209f) = (25000000_pr)*exp((-10460_pr)*R_T_inv) k(r210f) = (6200000000000_pr)*exp((-125520_pr)*R_T_inv) k(r211f) = (14200000000000_pr)*exp((-125520_pr)*R_T_inv) k(r212f) = (7500000000000_pr)*exp((-125520_pr)*R_T_inv) k(r213f) = (5600000000000_pr)*exp((-125520_pr)*R_T_inv) k(r214f) = (750000_pr)*exp((-12552_pr)*R_T_inv) k(r215f) = (300000_pr)*exp((-10460_pr)*R_T_inv) k(r216f) = (1.7e+27_pr)*exp((-78023.232_pr)*R_T_inv + T_log *(-5.96_pr)) k(r217f) = (5.83e+61_pr)*exp((-285892.72_pr)*R_T_inv + T_log *(-14.15_pr)) k(r218f) = (918000000000000_pr)*exp((-30836.08_pr)*R_T_inv + T_log *(-2.3_pr)) k(r219f) = (2500000_pr)*exp((-25104_pr)*R_T_inv) k(r220f) = (10000000_pr)*exp((-3347.2_pr)*R_T_inv) k(r221f) = (80000000_pr) k(r222f) = (3500000_pr)*exp((-37011.664_pr)*R_T_inv) k(r223f) = (200000000_pr)*exp((-33158.2_pr)*R_T_inv) k(r224f) = (300000000_pr)*exp((-173217.6_pr)*R_T_inv) k(r225f) = (0.4068_pr)*exp((-16317.6_pr)*R_T_inv + T_log *(2_pr)) k(r226f) = (14.1_pr)*exp((-10460_pr)*R_T_inv + T_log *(2_pr)) k(r227f) = (9000_pr)*exp((-209.2_pr)*R_T_inv + T_log *(1_pr)) k(r228f) = (4.8_pr)*exp((-66944_pr)*R_T_inv + T_log *(2_pr)) k(r229f) = (24_pr)*exp((-41661.17584_pr)*R_T_inv + T_log *(2_pr)) k(r230f) = (0.24_pr)*exp((-46846.28152_pr)*R_T_inv + T_log *(2_pr)) k(r231f) = (0.5424_pr)*exp((-41138.17584_pr)*R_T_inv + T_log *(2_pr)) k(r232f) = (18.8_pr)*exp((-33712.70552_pr)*R_T_inv + T_log *(2_pr)) k(r233f) = (12000_pr)*exp((-16025.18024_pr)*R_T_inv + T_log *(1_pr)) k_0(FOr234f) = (1e+92_pr)*exp((-417906.288_pr)*R_T_inv + T_log *(-22.855_pr)) k_inf(FOr234f) = (1.12e+16_pr)*exp((-381446.912_pr)*R_T_inv + T_log *(0.17_pr)) FC(FOr234f) = ((1.0_pr - 0.06547_pr)*exp(-Tloc/(15.11_pr))) + (0.06547_pr*exp(-Tloc/(10000000000_pr)))& + exp(-(75960000_pr)/Tloc) k(r234f) = getlindratecoeff(Tloc,k_0(FOr234f),k_inf(FOr234f),FC(FOr234f), M(mM234),Ploc) k(r235f) = (5000000000000_pr)*exp((-125520_pr)*R_T_inv) k(r236f) = (10000000000000_pr)*exp((-125520_pr)*R_T_inv) k(r237f) = (10000000000000_pr)*exp((-125520_pr)*R_T_inv) k(r238f) = (10000000000000_pr)*exp((-125520_pr)*R_T_inv) k(r239f) = (2e+17_pr)*exp((-340996_pr)*R_T_inv) k(r240f) = (2e+17_pr)*exp((-340996_pr)*R_T_inv) k(r241f) = (1.07e-06_pr)*exp((-38994.88_pr)*R_T_inv + T_log *(3.7_pr)) k(r242f) = (9500000000000_pr)*exp((-125520_pr)*R_T_inv) k(r243f) = (4200000000000_pr)*exp((-125520_pr)*R_T_inv) k(r244f) = (5300000000000_pr)*exp((-125520_pr)*R_T_inv) k(r245f) = (7000000000000_pr)*exp((-125520_pr)*R_T_inv) k(r246f) = (10500000000000_pr)*exp((-125520_pr)*R_T_inv) k(r247f) = (1e+16_pr)*exp((-301248_pr)*R_T_inv) k(r248f) = (30000000_pr)*exp((-10460_pr)*R_T_inv) k(r249f) = (22500000000000_pr)*exp((-129704_pr)*R_T_inv) k(r250f) = (6e+16_pr)*exp((-343088_pr)*R_T_inv) k(r251f) = (19000000000000_pr)*exp((-121336_pr)*R_T_inv) k(r252f) = (8000000000000_pr)*exp((-121336_pr)*R_T_inv) k(r253f) = (600000_pr)*exp((-8368_pr)*R_T_inv) k(r254f) = (66_pr)*exp((-16736_pr)*R_T_inv + T_log *(2_pr)) k(r255f) = (0.66_pr)*exp((-20920_pr)*R_T_inv + T_log *(2_pr)) k(r256f) = (51.7_pr)*exp((-10460_pr)*R_T_inv + T_log *(2_pr)) k(r257f) = (33000_pr)*exp((-209.2_pr)*R_T_inv + T_log *(1_pr)) k(r258f) = (17.6_pr)*exp((-66944_pr)*R_T_inv + T_log *(2_pr)) k(r259f) = (66_pr)*exp((-16736_pr)*R_T_inv + T_log *(2_pr)) k(r260f) = (0.66_pr)*exp((-20920_pr)*R_T_inv + T_log *(2_pr)) k(r261f) = (1.4916_pr)*exp((-16317.6_pr)*R_T_inv + T_log *(2_pr)) k(r262f) = (0.44_pr)*exp((-28032.8_pr)*R_T_inv + T_log *(2_pr)) k(r263f) = (1.1858_pr)*exp((-53555.2_pr)*R_T_inv + T_log *(2_pr)) k(r264f) = (51.7_pr)*exp((-10460_pr)*R_T_inv + T_log *(2_pr)) k(r265f) = (37.4_pr)*exp((-184096_pr)*R_T_inv + T_log *(2_pr)) k(r266f) = (33000_pr)*exp((-209.2_pr)*R_T_inv + T_log *(1_pr)) k(r267f) = (17.6_pr)*exp((-66944_pr)*R_T_inv + T_log *(2_pr)) k(r268f) = (0.42_pr)*exp((-20920_pr)*R_T_inv + T_log *(2_pr)) k(r269f) = (0.9492_pr)*exp((-16317.6_pr)*R_T_inv + T_log *(2_pr)) k(r270f) = (0.28_pr)*exp((-28032.8_pr)*R_T_inv + T_log *(2_pr)) k(r271f) = (0.7546_pr)*exp((-53555.2_pr)*R_T_inv + T_log *(2_pr)) k(r272f) = (32.9_pr)*exp((-10460_pr)*R_T_inv + T_log *(2_pr)) k(r273f) = (21000_pr)*exp((-209.2_pr)*R_T_inv + T_log *(1_pr)) k(r274f) = (100.05_pr)*exp((-170382.89816_pr)*R_T_inv + T_log *(2_pr)) k(r275f) = (4.5_pr)*exp((-58106.26232_pr)*R_T_inv + T_log *(2_pr)) k(r276f) = (3.372_pr)*exp((-21916.0012_pr)*R_T_inv + T_log *(2.462_pr)) k(r1b) = (0.0250320627328976_pr)*exp((-20136.4968759495_pr)*R_T_inv + T_log *(2.65807531512863_pr)) k(r2b) = (152976380.174641_pr)*exp((-91060.8124557656_pr)*R_T_inv + T_log *(0.0392437932227982_pr)) k(r3b) = (496335.36130447_pr)*exp((6110.47189121545_pr)*R_T_inv + T_log *(0.337446472883008_pr)) k(r4b) = (2.15594651209365e+16_pr)*exp((-494570.880899376_pr)*R_T_inv + T_log *(-1.57680152911809_pr)) k(r5b) = (9.45273132609138_pr)*exp((5299.11261022992_pr)*R_T_inv + T_log *(1.65283156593371_pr)) k_0(FOr6b) = (81938730.9844151_pr)*exp((7609.93867350326_pr)*R_T_inv + T_log *(-1.58358498232902_pr)) k_inf(FOr6b) = (65.8142397578236_pr)*exp((7609.9386938369_pr)*R_T_inv + T_log *(1.61641502168657_pr)) FC(FOr6b) = ((1.0_pr - 0.43_pr)*exp(-Tloc/(1e-30_pr))) + (0.43_pr*exp(-Tloc/(1e+30_pr))) k(r6b) = getlindratecoeff(Tloc,k_0(FOr6b),k_inf(FOr6b),FC(FOr6b), M(mM6),Ploc) k(r7b) = (488.513861217954_pr)*exp((-299605.606264304_pr)*R_T_inv + T_log *(1.13961348117692_pr)) k(r8b) = (205.042869065055_pr)*exp((-93622.8044524159_pr)*R_T_inv + T_log *(1.47495224861314_pr)) k(r9b) = (57956.9952721105_pr)*exp((-131663.969120446_pr)*R_T_inv + T_log *(0.514196001283444_pr)) k(r10b) = (2528124.16736289_pr)*exp((-160746.953137712_pr)*R_T_inv + T_log *(0.514195997987592_pr)) k(r11b) = (43079.945446607_pr)*exp((-153895.949139855_pr)*R_T_inv + T_log *(0.62541748069645_pr)) k(r12b) = (3234.30505113129_pr)*exp((-231235.011678389_pr)*R_T_inv + T_log *(1.38289569193744_pr)) k(r13b) = (4542722.69899552_pr)*exp((-222728.765030724_pr)*R_T_inv + T_log *(0.287971007842612_pr)) k(r14b) = (6935031.01184692_pr)*exp((-286159.704221473_pr)*R_T_inv + T_log *(0.339139438002417_pr)) k(r15b) = (445823423.756179_pr)*exp((-336462.095264178_pr)*R_T_inv + T_log *(0.339139437544699_pr)) k(r16b) = (2974361518.56849_pr)*exp((-206594.233660376_pr)*R_T_inv + T_log *(-0.175056563195146_pr)) k(r17b) = (5651286.80721155_pr)*exp((-154504.270451058_pr)*R_T_inv + T_log *(-0.175056561375791_pr)) k_0(FOr18b) = (10818545240078.9_pr)*exp((-203838.232112311_pr)*R_T_inv + T_log *(-1.14594098139503_pr)) k_inf(FOr18b) = (2891162465360.1_pr)*exp((-203838.231996264_pr)*R_T_inv + T_log *(0.524059040788522_pr)) FC(FOr18b) = ((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(r18b) = getlindratecoeff(Tloc,k_0(FOr18b),k_inf(FOr18b),FC(FOr18b), M(mM18),Ploc) k_0(FOr19b) = (1.30313114684619e+23_pr)*exp((-550301.158523699_pr)*R_T_inv + T_log *(-3.51283557307598_pr)) k_inf(FOr19b) = (1.51697820213112e+15_pr)*exp((-542740.67047505_pr)*R_T_inv + T_log *(-0.722835563753989_pr)) k(r19b) = getlindratecoeff(Tloc,k_0(FOr19b),k_inf(FOr19b),1.0_pr, M(mM19),Ploc) k(r20b) = (89903.6807146838_pr)*exp((-104710.768607871_pr)*R_T_inv + T_log *(0.958134395388608_pr)) k(r21b) = (7378125230676.11_pr)*exp((-107587.268601215_pr)*R_T_inv + T_log *(-1.7588656033555_pr)) k_0(FOr22b) = (2.74817257286969e+28_pr)*exp((-448303.805648928_pr)*R_T_inv + T_log *(-4.47640640435803_pr)) k_inf(FOr22b) = (1.40733093082891e+17_pr)*exp((-439697.317953154_pr)*R_T_inv + T_log *(-0.346406462540646_pr)) FC(FOr22b) = ((1.0_pr - 0.783_pr)*exp(-Tloc/(74_pr))) + (0.783_pr*exp(-Tloc/(2941_pr)))& + exp(-(6964_pr)/Tloc) k(r22b) = getlindratecoeff(Tloc,k_0(FOr22b),k_inf(FOr22b),FC(FOr22b), M(mM22),Ploc) k(r23b) = (0.00977227278350648_pr)*exp((-34773.3905754882_pr)*R_T_inv + T_log *(2.60036112374634_pr)) k(r24b) = (7.99945316218223_pr)*exp((-24454.5514380252_pr)*R_T_inv + T_log *(1.58843644139855_pr)) k(r25b) = (0.00324075481680568_pr)*exp((-65638.9952547801_pr)*R_T_inv + T_log *(2.7396048743401_pr)) k(r26b) = (1.88581658581989e-05_pr)*exp((-14048.4181351456_pr)*R_T_inv + T_log *(3.36540887286273_pr)) k(r27b) = (2.06742472440663_pr)*exp((-221612.563956083_pr)*R_T_inv + T_log *(2.42953487567771_pr)) k(r29b) = (1462035.62935382_pr)*exp((-779695.729803362_pr)*R_T_inv + T_log *(0.435734161520869_pr)) k(r30b) = (5150613589.38692_pr)*exp((-65904.2952277209_pr)*R_T_inv + T_log *(-0.397330772543103_pr)) k(r31b) = (4.36197877369173e-07_pr)*exp((-251928.894117302_pr)*R_T_inv + T_log *(3.50195115420864_pr)) k(r32b) = (2101621401.26471_pr)*exp((-287515.645908988_pr)*R_T_inv + T_log *(-0.0684952995833312_pr)) k(r33b) = (25071935848.873_pr)*exp((-3324.40543562296_pr)*R_T_inv + T_log *(-1.08142547389182_pr)) k(r34b) = (6489740718.58877_pr)*exp((35422.7346265807_pr)*R_T_inv + T_log *(-0.330702177475219_pr)) k(r35b) = (170345313.026742_pr)*exp((344.078601799289_pr)*R_T_inv + T_log *(-0.152702182165571_pr)) k(r36b) = (84280716.7351023_pr)*exp((-99442.2903960838_pr)*R_T_inv + T_log *(-0.269284674384169_pr)) k(r37b) = (844253958844478_pr)*exp((-199270.543642017_pr)*R_T_inv + T_log *(-1.58580817156333_pr)) k(r38b) = (4.81930383997588e-17_pr)*exp((-110745.789624158_pr)*R_T_inv + T_log *(6.97716482879754_pr)) k(r39b) = (2.35322926153115e+16_pr)*exp((-368018.587211481_pr)*R_T_inv + T_log *(-2.32330060381433_pr)) k(r40b) = (83.5698371995776_pr)*exp((-68968.0243526624_pr)*R_T_inv + T_log *(1.23240604549714_pr)) k(r41b) = (1.55508550304875_pr)*exp((-77165.5756107427_pr)*R_T_inv + T_log *(1.99433070502691_pr)) k(r42b) = (7.3994502959356_pr)*exp((-123101.948151347_pr)*R_T_inv + T_log *(1.76357448176399_pr)) k(r43b) = (0.0534064791023981_pr)*exp((-45382.2910429586_pr)*R_T_inv + T_log *(2.31937847822192_pr)) k(r44b) = (6.51949343142354e-05_pr)*exp((-89081.4408878253_pr)*R_T_inv + T_log *(3.35396960913644_pr)) k(r45b) = (0.342423264443272_pr)*exp((2282.35590482342_pr)*R_T_inv + T_log *(0.756584576326266_pr)) k(r46b) = (2831243.30741344_pr)*exp((-141055.236146757_pr)*R_T_inv + T_log *(0.180643606325316_pr)) k(r47b) = (7776854.92556416_pr)*exp((-368257.792318355_pr)*R_T_inv + T_log *(0.480539295831728_pr)) k(r48b) = (11142152.2176639_pr)*exp((-430072.444971927_pr)*R_T_inv + T_log *(0.519783051262017_pr)) k(r49b) = (176411385.259327_pr)*exp((-373596.409757113_pr)*R_T_inv + T_log *(0.380178169340419_pr)) k_0(FOr51b) = (4.02936301561396e+28_pr)*exp((-115460.968365794_pr)*R_T_inv + T_log *(-5.49317680516077_pr)) k_inf(FOr51b) = (171327264445978_pr)*exp((-103201.848438786_pr)*R_T_inv + T_log *(-0.219176819086816_pr)) FC(FOr51b) = ((1.0_pr - 0.7187_pr)*exp(-Tloc/(103_pr))) + (0.7187_pr*exp(-Tloc/(1291_pr)))& + exp(-(4160_pr)/Tloc) k(r51b) = getlindratecoeff(Tloc,k_0(FOr51b),k_inf(FOr51b),FC(FOr51b), M(mM51),Ploc) k_0(FOr52b) = (3.30927009355279e+21_pr)*exp((-31624.2462650588_pr)*R_T_inv + T_log *(-5.60689419309751_pr)) k_inf(FOr52b) = (1.20337118568151e+16_pr)*exp((-39419.0382727136_pr)*R_T_inv + T_log *(-2.60689419455845_pr)) FC(FOr52b) = ((1.0_pr - 0.9_pr)*exp(-Tloc/(2500_pr))) + (0.9_pr*exp(-Tloc/(1300_pr)))& + exp(-(1e+99_pr)/Tloc) k(r52b) = getlindratecoeff(Tloc,k_0(FOr52b),k_inf(FOr52b),FC(FOr52b), M(mM52),Ploc) k_0(FOr53b) = (1.33696326169407e+32_pr)*exp((-383775.142021531_pr)*R_T_inv + T_log *(-4.54383662407574_pr)) k_inf(FOr53b) = (3.78169655455273e+21_pr)*exp((-380399.909307577_pr)*R_T_inv + T_log *(-1.4838366405047_pr)) FC(FOr53b) = ((1.0_pr - 0_pr)*exp(-Tloc/(570_pr))) + (0_pr*exp(-Tloc/(1e+30_pr)))& + exp(-(1e+30_pr)/Tloc) k(r53b) = getlindratecoeff(Tloc,k_0(FOr53b),k_inf(FOr53b),FC(FOr53b), M(mM53),Ploc) k_0(FOr54b) = (1.24082578036454e+37_pr)*exp((-448179.966550748_pr)*R_T_inv + T_log *(-6.97612483616841_pr)) k_inf(FOr54b) = (3.2485945158597e+19_pr)*exp((-426820.64663289_pr)*R_T_inv + T_log *(-0.886124851879841_pr)) FC(FOr54b) = ((1.0_pr - 0.842_pr)*exp(-Tloc/(125_pr))) + (0.842_pr*exp(-Tloc/(2219_pr)))& + exp(-(6882_pr)/Tloc) k(r54b) = getlindratecoeff(Tloc,k_0(FOr54b),k_inf(FOr54b),FC(FOr54b), M(mM54),Ploc) k(r55b) = (0.00494792485842755_pr)*exp((-30749.7905778932_pr)*R_T_inv + T_log *(2.66815486533859_pr)) k(r56b) = (0.325281549889977_pr)*exp((-44051.8213398754_pr)*R_T_inv + T_log *(2.18007961865185_pr)) k(r57b) = (0.146208946548214_pr)*exp((-78335.7543906889_pr)*R_T_inv + T_log *(2.21932329895502_pr)) k(r58b) = (9.86342145724212e-11_pr)*exp((-31403.4231285571_pr)*R_T_inv + T_log *(4.89971842602234_pr)) k_0(FOr59b) = (1.28685335357409e+33_pr)*exp((-173080.881543679_pr)*R_T_inv + T_log *(-6.61524791801299_pr)) k_inf(FOr59b) = (867176038.814583_pr)*exp((-154612.705544253_pr)*R_T_inv + T_log *(1.4897520818703_pr)) FC(FOr59b) = ((1.0_pr - -0.569_pr)*exp(-Tloc/(299_pr))) + (-0.569_pr*exp(-Tloc/(-9147_pr)))& + exp(-(152.4_pr)/Tloc) k(r59b) = getlindratecoeff(Tloc,k_0(FOr59b),k_inf(FOr59b),FC(FOr59b), M(mM59),Ploc) k(r60b) = (389232.286789999_pr)*exp((-283812.842754193_pr)*R_T_inv + T_log *(0.357202623456583_pr)) k(r61b) = (0.144289134811183_pr)*exp((-276929.996130807_pr)*R_T_inv + T_log *(2.7068415087615_pr)) k(r62b) = (8257100465366.13_pr)*exp((-15408.7410924866_pr)*R_T_inv + T_log *(-1.25971179200903_pr)) k(r63b) = (12.6445743177686_pr)*exp((-51879.8561291071_pr)*R_T_inv + T_log *(1.18730694415537_pr)) k_0(FOr64b) = (1.34672689283826e+26_pr)*exp((-474889.374159607_pr)*R_T_inv + T_log *(-3.80205597595881_pr)) k_inf(FOr64b) = (584863905854213_pr)*exp((-462170.013753083_pr)*R_T_inv + T_log *(0.327944101703342_pr)) FC(FOr64b) = ((1.0_pr - 0.782_pr)*exp(-Tloc/(207.5_pr))) + (0.782_pr*exp(-Tloc/(2663_pr)))& + exp(-(6095_pr)/Tloc) k(r64b) = getlindratecoeff(Tloc,k_0(FOr64b),k_inf(FOr64b),FC(FOr64b), M(mM64),Ploc) k(r65b) = (6783.03548807914_pr)*exp((-108593.677706357_pr)*R_T_inv + T_log *(-0.298782360171079_pr)) k(r66b) = (0.0929556983449878_pr)*exp((-25940.5341047437_pr)*R_T_inv + T_log *(2.25601068770775_pr)) k(r67b) = (0.000142798408059479_pr)*exp((-42842.0388384439_pr)*R_T_inv + T_log *(3.11025442799338_pr)) k(r68b) = (0.000112432196366673_pr)*exp((-40475.5835750977_pr)*R_T_inv + T_log *(3.17264955527332_pr)) k(r69b) = (0.00147765654109867_pr)*exp((-111280.713701071_pr)*R_T_inv + T_log *(2.39634456834874_pr)) k(r70b) = (2314.30879094257_pr)*exp((-73238.5380900153_pr)*R_T_inv + T_log *(0.983157322657374_pr)) k_0(FOr71b) = (4.47979671144548e+23_pr)*exp((-162751.008565399_pr)*R_T_inv + T_log *(-4.03920698382962_pr)) k_inf(FOr71b) = (120637046.5783_pr)*exp((-158269.944572521_pr)*R_T_inv + T_log *(1.89079301476655_pr)) FC(FOr71b) = ((1.0_pr - 0.788_pr)*exp(-Tloc/(-10200_pr))) + (0.788_pr*exp(-Tloc/(1e-30_pr))) k(r71b) = getlindratecoeff(Tloc,k_0(FOr71b),k_inf(FOr71b),FC(FOr71b), M(mM71),Ploc) k(r72b) = (1.29855869605947e+18_pr)*exp((-63987.2431702018_pr)*R_T_inv + T_log *(-3.52348219815602_pr)) k(r73b) = (36944909.9074912_pr)*exp((-36997.93278002_pr)*R_T_inv + T_log *(-0.293482200034253_pr)) k(r74b) = (1894.84404712899_pr)*exp((-70990.2715086332_pr)*R_T_inv + T_log *(0.649266009761153_pr)) k(r75b) = (0.00405408510750137_pr)*exp((-54840.8683376909_pr)*R_T_inv + T_log *(2.21926600426422_pr)) k(r76b) = (9.89507661224254e+27_pr)*exp((-412418.992794028_pr)*R_T_inv + T_log *(-6.89879027204714_pr)) k(r77b) = (220373862.738531_pr)*exp((-365665.721579489_pr)*R_T_inv + T_log *(-0.888790269252352_pr)) k(r80b) = (2408796958.87552_pr)*exp((-285820.739665843_pr)*R_T_inv + T_log *(-0.240838297957449_pr)) k(r81b) = (2629033619.45758_pr)*exp((-347635.392377019_pr)*R_T_inv + T_log *(-0.201594553821791_pr)) k(r82b) = (38104.2200458168_pr)*exp((-92140.6948929867_pr)*R_T_inv + T_log *(0.899615929272396_pr)) k(r83b) = (0.0423811756706114_pr)*exp((-107541.052677729_pr)*R_T_inv + T_log *(2.72137758909258_pr)) k(r84b) = (193350.669067623_pr)*exp((-641405.008177468_pr)*R_T_inv + T_log *(0.78072223094241_pr)) k(r85b) = (455.302438831769_pr)*exp((-126369.467280371_pr)*R_T_inv + T_log *(2.04380417368479_pr)) k_0(FOr86b) = (2.98767827279735e+15_pr)*exp((-146342.939671011_pr)*R_T_inv + T_log *(-3.56022817148821_pr)) k_inf(FOr86b) = (0.919526399542708_pr)*exp((-142158.939193179_pr)*R_T_inv + T_log *(1.79977191888072_pr)) FC(FOr86b) = ((1.0_pr - 7.13e-17_pr)*exp(-Tloc/(1150_pr))) + (7.13e-17_pr*exp(-Tloc/(4990000000_pr)))& + exp(-(1790000000_pr)/Tloc) k(r86b) = getlindratecoeff(Tloc,k_0(FOr86b),k_inf(FOr86b),FC(FOr86b), M(mM86),Ploc) k(r88b) = (48.3516636246692_pr)*exp((-73492.2180518899_pr)*R_T_inv + T_log *(1.68942633217115_pr)) k_0(FOr91b) = (7.42166791074366e+59_pr)*exp((-460736.334935608_pr)*R_T_inv + T_log *(-13.0735036606719_pr)) k_inf(FOr91b) = (4.34523947518886e+20_pr)*exp((-419859.491838734_pr)*R_T_inv + T_log *(-1.13350368043655_pr)) FC(FOr91b) = ((1.0_pr - 0.175_pr)*exp(-Tloc/(1341_pr))) + (0.175_pr*exp(-Tloc/(60000_pr)))& + exp(-(10140_pr)/Tloc) k(r91b) = getlindratecoeff(Tloc,k_0(FOr91b),k_inf(FOr91b),FC(FOr91b), M(mM91),Ploc) k(r92b) = (7.00231308336122e+31_pr)*exp((-114917.536225425_pr)*R_T_inv + T_log *(-6.31086545701414_pr)) k(r93b) = (5918936443824.72_pr)*exp((-60615.910637255_pr)*R_T_inv + T_log *(-1.14086545927768_pr)) k(r94b) = (8.20948220328701e+65_pr)*exp((-157222.684486087_pr)*R_T_inv + T_log *(-16.5073617956009_pr)) k(r95b) = (4.77366180012939e+37_pr)*exp((-44857.1804754569_pr)*R_T_inv + T_log *(-9.11736179356999_pr)) k(r96b) = (0.488527842229677_pr)*exp((-85811.9325670541_pr)*R_T_inv + T_log *(2.23159310204674_pr)) k(r97b) = (567143366109195_pr)*exp((-31914.4229712086_pr)*R_T_inv + T_log *(-2.19330277183882_pr)) k(r98b) = (346159.110096434_pr)*exp((-85994.0976053561_pr)*R_T_inv + T_log *(0.464668235320504_pr)) k(r99b) = (20.8831902467256_pr)*exp((-133775.872646004_pr)*R_T_inv + T_log *(1.88783666364503_pr)) k(r100b) = (4.31562537051563e-06_pr)*exp((-55727.3531085302_pr)*R_T_inv + T_log *(3.70464066559235_pr)) k(r101b) = (0.000186155824739666_pr)*exp((-96647.4901755734_pr)*R_T_inv + T_log *(3.17623179227439_pr)) k(r102b) = (0.000217742070043223_pr)*exp((-111877.917162853_pr)*R_T_inv + T_log *(2.69008047138194_pr)) k(r103b) = (1.01105001364764e+49_pr)*exp((-205052.767616437_pr)*R_T_inv + T_log *(-11.4938871506246_pr)) k(r104b) = (3.67477788946982e+28_pr)*exp((-164326.130008099_pr)*R_T_inv + T_log *(-5.56388714901663_pr)) k(r105b) = (1.34727681782459e+53_pr)*exp((-193231.053236324_pr)*R_T_inv + T_log *(-12.355334843669_pr)) k(r106b) = (4.56704010665821e+38_pr)*exp((-151600.253243254_pr)*R_T_inv + T_log *(-8.64533484500471_pr)) k(r107b) = (58066.7162641744_pr)*exp((-216248.169970481_pr)*R_T_inv + T_log *(0.580609713588171_pr)) k(r108b) = (7248523829011.09_pr)*exp((-61385.5023406339_pr)*R_T_inv + T_log *(-1.94061872641048_pr)) k(r109b) = (23061370575.6642_pr)*exp((-11102.6898626521_pr)*R_T_inv + T_log *(-2.26362368544836_pr)) k(r110b) = (4.5559887969795e+18_pr)*exp((-37581.5266114574_pr)*R_T_inv + T_log *(-4.56386117987338_pr)) k(r111b) = (3407684099.57494_pr)*exp((-81457.3975945963_pr)*R_T_inv + T_log *(-2.09530363527915_pr)) k(r112b) = (319779.260694977_pr)*exp((-75599.5204523456_pr)*R_T_inv + T_log *(0.0779461775257813_pr)) k(r113b) = (89979.4687398063_pr)*exp((-72422.0959374928_pr)*R_T_inv + T_log *(0.200702890183293_pr)) k_0(FOr114b) = (3.0916298799363e+60_pr)*exp((-351254.799561929_pr)*R_T_inv + T_log *(-13.8152392495654_pr)) k_inf(FOr114b) = (4.74418871390347e+20_pr)*exp((-324007.336309627_pr)*R_T_inv + T_log *(-1.32523923955681_pr)) FC(FOr114b) = ((1.0_pr - 0.104_pr)*exp(-Tloc/(1606_pr))) + (0.104_pr*exp(-Tloc/(60000_pr)))& + exp(-(6118_pr)/Tloc) k(r114b) = getlindratecoeff(Tloc,k_0(FOr114b),k_inf(FOr114b),FC(FOr114b), M(mM114),Ploc) k(r115b) = (36417855887269.4_pr)*exp((-370595.058684953_pr)*R_T_inv + T_log *(0.431730179421222_pr)) k(r116b) = (432.739068114376_pr)*exp((-147802.035818301_pr)*R_T_inv + T_log *(1.33264527404319_pr)) k(r117b) = (626.799340710142_pr)*exp((-93281.7387093157_pr)*R_T_inv + T_log *(1.29795341017126_pr)) k(r118b) = (0.0130770882844136_pr)*exp((-68258.9006845961_pr)*R_T_inv + T_log *(2.58844927661962_pr)) k(r119b) = (0.0892757590577105_pr)*exp((-23770.6628116808_pr)*R_T_inv + T_log *(2.34375741063065_pr)) k(r120b) = (13752493.3796283_pr)*exp((-106245.970329868_pr)*R_T_inv + T_log *(-0.218523349902897_pr)) k(r121b) = (1161959464.58596_pr)*exp((-47147.2044904043_pr)*R_T_inv + T_log *(-0.783215222282134_pr)) k(r122b) = (56222561454.137_pr)*exp((-14501.500952354_pr)*R_T_inv + T_log *(-1.20649436174819_pr)) k(r123b) = (3.10636267228304e+15_pr)*exp((-279598.800190226_pr)*R_T_inv + T_log *(-2.17516400916178_pr)) k(r124b) = (0.0539494632401664_pr)*exp((-3073.06265309296_pr)*R_T_inv + T_log *(2.78423225974992_pr)) k(r125b) = (4.44777050234629e-05_pr)*exp((-10912.6274880478_pr)*R_T_inv + T_log *(3.10806288392896_pr)) k(r126b) = (0.000638032839216092_pr)*exp((-10799.6306665172_pr)*R_T_inv + T_log *(2.97892409845647_pr)) k(r127b) = (7.35369135611857e-13_pr)*exp((-84139.7210018638_pr)*R_T_inv + T_log *(7.32530813499123_pr)) k(r128b) = (29316.5930413195_pr)*exp((-302505.982391943_pr)*R_T_inv + T_log *(0.439102084822909_pr)) k(r129b) = (2322.6882906516_pr)*exp((-96803.9514221373_pr)*R_T_inv + T_log *(0.876336946654014_pr)) k(r130b) = (147.65135654197_pr)*exp((-76047.1274199034_pr)*R_T_inv + T_log *(1.41633694707957_pr)) k(r131b) = (6.56447166975507e+31_pr)*exp((-194042.248143809_pr)*R_T_inv + T_log *(-6.57664386567311_pr)) k(r132b) = (1.30598437808521e+33_pr)*exp((-174364.896151297_pr)*R_T_inv + T_log *(-6.74664386711951_pr)) k(r133b) = (5.30292361468818e+29_pr)*exp((-58728.6712711164_pr)*R_T_inv + T_log *(-7.64701918631285_pr)) k(r134b) = (9.87199505033069e+28_pr)*exp((-90318.9797990336_pr)*R_T_inv + T_log *(-7.88075508738561_pr)) k(r135b) = (0.00462482968142093_pr)*exp((-107408.372742237_pr)*R_T_inv + T_log *(2.23177158208981_pr)) k(r136b) = (3026008.12572773_pr)*exp((-185070.979824613_pr)*R_T_inv + T_log *(-0.0723664677418777_pr)) k(r137b) = (2.09956795191548e+20_pr)*exp((-86826.6478609868_pr)*R_T_inv + T_log *(-3.49086121451961_pr)) k(r138b) = (12117865.2717334_pr)*exp((-67213.1827529247_pr)*R_T_inv + T_log *(-0.767160185064322_pr)) k(r139b) = (870980.309960432_pr)*exp((-77362.1294811734_pr)*R_T_inv + T_log *(0.112211842465442_pr)) k(r140b) = (48965.5679493411_pr)*exp((-525741.384223886_pr)*R_T_inv + T_log *(0.510511850693626_pr)) k(r141b) = (2432450915.53011_pr)*exp((-141946.409416233_pr)*R_T_inv + T_log *(-0.487208741095193_pr)) k(r146b) = (1428069041993.96_pr)*exp((-273905.327929967_pr)*R_T_inv + T_log *(-0.253387440155319_pr)) k(r149b) = (50356628.8173697_pr)*exp((-60565.6778874548_pr)*R_T_inv + T_log *(-0.296969664837994_pr)) k(r153b) = (93635.8921702427_pr)*exp((-192046.916152444_pr)*R_T_inv + T_log *(0.253327469425524_pr)) k(r154b) = (1.08867856076957e+15_pr)*exp((-283860.792726525_pr)*R_T_inv + T_log *(-0.794345773549963_pr)) k(r171b) = (936191387764793_pr)*exp((-345003.890316374_pr)*R_T_inv + T_log *(0.166371277442371_pr)) k_0(FOr182b) = (1.74968404979356e+53_pr)*exp((-390160.830717221_pr)*R_T_inv + T_log *(-11.3926382050213_pr)) k_inf(FOr182b) = (13155519647431.8_pr)*exp((-365191.55554263_pr)*R_T_inv + T_log *(0.607361790204411_pr)) FC(FOr182b) = ((1.0_pr - 0.02_pr)*exp(-Tloc/(1097_pr))) + (0.02_pr*exp(-Tloc/(10970_pr)))& + exp(-(6860_pr)/Tloc) k(r182b) = getlindratecoeff(Tloc,k_0(FOr182b),k_inf(FOr182b),FC(FOr182b), M(mM182),Ploc) k(r198b) = (743.578317315103_pr)*exp((19326.4704626625_pr)*R_T_inv + T_log *(1.34057153236972_pr)) k(r199b) = (75764.7632443098_pr)*exp((-19657.0694010129_pr)*R_T_inv + T_log *(0.801313880412785_pr)) k(r200b) = (60837524858.54_pr)*exp((-163969.900884279_pr)*R_T_inv + T_log *(0.939197987556903_pr)) k(r202b) = (6721235732.95539_pr)*exp((-42463.4467550999_pr)*R_T_inv + T_log *(-1.19415547642489_pr)) k(r203b) = (0.00307386190635415_pr)*exp((10382.8616201872_pr)*R_T_inv + T_log *(2.25337102463632_pr)) k(r205b) = (644301088090304_pr)*exp((-57914.369265869_pr)*R_T_inv + T_log *(-1.79823854416811_pr)) k(r206b) = (0.000147446188011422_pr)*exp((-106116.816579533_pr)*R_T_inv + T_log *(2.38694903417582_pr)) k(r209b) = (6668157502785.79_pr)*exp((-146496.203494553_pr)*R_T_inv + T_log *(0.12028906660928_pr)) k(r210b) = (0.000305512943446328_pr)*exp((-46326.289349571_pr)*R_T_inv + T_log *(2.80380975528251_pr)) k(r211b) = (0.158487383457693_pr)*exp((-30257.650285867_pr)*R_T_inv + T_log *(1.78956427428646_pr)) k(r212b) = (0.0235537866144055_pr)*exp((-27080.2257570431_pr)*R_T_inv + T_log *(1.91232098961113_pr)) k(r213b) = (0.0822100895815933_pr)*exp((-41759.7740026966_pr)*R_T_inv + T_log *(1.89136385082554_pr)) k(r216b) = (4.19251243869312e+27_pr)*exp((-545608.382582717_pr)*R_T_inv + T_log *(-5.97484542759918_pr)) k(r217b) = (1.98805470008855e+53_pr)*exp((-224841.469748324_pr)*R_T_inv + T_log *(-12.0468599187142_pr)) k(r218b) = (3.99543685123217e+16_pr)*exp((22131.5470052214_pr)*R_T_inv + T_log *(-2.56578179587149_pr)) k(r224b) = (111930333612.443_pr)*exp((3.85924336513384_pr)*R_T_inv + T_log *(-1.25691275606621_pr)) k_0(FOr234b) = (6.00080852773843e+88_pr)*exp((-40846.6014141497_pr)*R_T_inv + T_log *(-24.1959726283612_pr)) k_inf(FOr234b) = (6720905510798.63_pr)*exp((-4387.2254108474_pr)*R_T_inv + T_log *(-1.17097262754297_pr)) FC(FOr234b) = ((1.0_pr - 0.06547_pr)*exp(-Tloc/(15.11_pr))) + (0.06547_pr*exp(-Tloc/(10000000000_pr)))& + exp(-(75960000_pr)/Tloc) k(r234b) = getlindratecoeff(Tloc,k_0(FOr234b),k_inf(FOr234b),FC(FOr234b), M(mM234),Ploc) k(r248b) = (7401913589710.63_pr)*exp((-147014.484138771_pr)*R_T_inv + T_log *(0.154332416692243_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(sH2O2) w(r7f) = k(r7f) * c(sH) * c(sH2O2) w(r8f) = k(r8f) * c(sH) * c(sH2O2) w(r9f) = k(r9f) * c(sH2O2) * c(sOH) w(r10f) = k(r10f) * c(sH2O2) * c(sOH) w(r11f) = k(r11f) * c(sH) * c(sHO2) w(r12f) = k(r12f) * c(sH) * c(sHO2) w(r13f) = k(r13f) * c(sHO2) * c(sO) w(r14f) = k(r14f) * c(sHO2) * c(sOH) w(r15f) = k(r15f) * c(sHO2) * c(sOH) w(r16f) = k(r16f) * c(sHO2)**2.0_pr w(r17f) = k(r17f) * c(sHO2)**2.0_pr w(r18f) = k(r18f) * c(sH) * c(sO2) w(r19f) = k(r19f) * c(sCO) * c(sO) w(r20f) = k(r20f) * c(sCO) * c(sOH) w(r21f) = k(r21f) * c(sCO) * c(sOH) w(r22f) = k(r22f) * c(sCH3) * c(sH) w(r23f) = k(r23f) * c(sCH4) * c(sH) w(r24f) = k(r24f) * c(sCH4) * c(sO) w(r25f) = k(r25f) * c(sCH4) * c(sOH) w(r26f) = k(r26f) * c(sCH4) * c(sHO2) w(r27f) = k(r27f) * c(sCH3) * c(sHO2) w(r28f) = k(r28f) * cqss(sqssCH2GSG) * c(sO2) w(r29f) = k(r29f) * cqss(sqssCH2GSG) * c(sO2) w(r30f) = k(r30f) * cqss(sqssCH2GSG) * c(sH2) w(r31f) = k(r31f) * c(sCH3) * c(sO2) w(r32f) = k(r32f) * c(sCH3) * c(sO) w(r33f) = k(r33f) * c(sCH3) * c(sOH) w(r34f) = k(r34f) * c(sCH3) * c(sOH) w(r35f) = k(r35f) * c(sCH3) * c(sOH) w(r36f) = k(r36f) * c(sCH3) * c(sHO2) w(r37f) = k(r37f) * c(sCH3OGL1G) * c(sO2) w(r38f) = k(r38f) * c(sCH3OGL1G) * c(sO2) w(r39f) = k(r39f) * c(sCH3) * c(sCH3OGL1G) w(r40f) = k(r40f) * c(sCH2O) * c(sO) w(r41f) = k(r41f) * c(sCH2O) * c(sH) w(r42f) = k(r42f) * c(sCH2O) * c(sOH) w(r43f) = k(r43f) * c(sCH2O) * c(sHO2) w(r44f) = k(r44f) * c(sCH2O) * c(sCH3) w(r45f) = k(r45f) * cqss(sqssHCO) * m(mM45) w(r46f) = k(r46f) * cqss(sqssHCO) * c(sO2) w(r47f) = k(r47f) * c(sH) * cqss(sqssHCO) w(r48f) = k(r48f) * cqss(sqssHCO) * c(sOH) w(r49f) = k(r49f) * c(sCH3) * cqss(sqssHCO) w(r50f) = k(r50f) * cqss(sqssHCO) * c(sHO2) w(r51f) = k(r51f) * c(sCH2O) * c(sH) w(r52f) = k(r52f) * c(sCH3OGL1G) w(r53f) = k(r53f) * c(sCH3)**2.0_pr w(r54f) = k(r54f) * c(sC2H5) * c(sH) w(r55f) = k(r55f) * c(sC2H6) * c(sO) w(r56f) = k(r56f) * c(sC2H6) * c(sH) w(r57f) = k(r57f) * c(sC2H6) * c(sOH) w(r58f) = k(r58f) * c(sC2H6) * c(sCH3) w(r59f) = k(r59f) * c(sC2H4) * c(sH) w(r60f) = k(r60f) * c(sC2H5) * c(sH) w(r61f) = k(r61f) * c(sC2H5) * c(sCH3) w(r62f) = k(r62f) * c(sCH3)**2.0_pr w(r63f) = k(r63f) * c(sC2H5) * c(sO2) w(r64f) = k(r64f) * cqss(sqssC2H3) * c(sH) w(r65f) = k(r65f) * c(sC2H4) * m(mM65) w(r66f) = k(r66f) * c(sC2H4) * c(sH) w(r67f) = k(r67f) * c(sC2H4) * c(sOH) w(r68f) = k(r68f) * c(sC2H4) * c(sCH3) w(r69f) = k(r69f) * c(sC2H4) * c(sO) w(r70f) = k(r70f) * c(sC2H4) * c(sO) w(r71f) = k(r71f) * c(sC2H2) * c(sH) w(r72f) = k(r72f) * cqss(sqssC2H3) * c(sO2) w(r73f) = k(r73f) * cqss(sqssC2H3) * c(sO2) w(r74f) = k(r74f) * cqss(sqssC2H3) * c(sO2) w(r75f) = k(r75f) * cqss(sqssC2H3) * c(sO2) w(r76f) = k(r76f) * cqss(sqssC2H3) * c(sO2) w(r77f) = k(r77f) * cqss(sqssC2H3) * c(sO2) w(r78f) = k(r78f) * cqss(sqssC2H3) * c(sO2) w(r79f) = k(r79f) * cqss(sqssC2H3) * c(sO2) w(r80f) = k(r80f) * cqss(sqssC2H3) * c(sH) w(r81f) = k(r81f) * cqss(sqssC2H3) * c(sOH) w(r82f) = k(r82f) * c(sC2H2) * c(sO) w(r83f) = k(r83f) * c(sC2H2) * cqss(sqssHCO) w(r84f) = k(r84f) * cqss(sqssC2H) * c(sO2) w(r85f) = k(r85f) * cqss(sqssC2H) * c(sH2) w(r86f) = k(r86f) * cqss(sqssCH2CHO) w(r87f) = k(r87f) * cqss(sqssHCCO) * c(sOH) w(r88f) = k(r88f) * c(sH) * cqss(sqssHCCO) w(r89f) = k(r89f) * cqss(sqssHCCO) * c(sO2) w(r90f) = k(r90f) * c(sHO2) * c(sNC3H7) w(r91f) = k(r91f) * cqss(sqssC2H3) * c(sCH3) w(r92f) = k(r92f) * cqss(sqssC2H3) * c(sCH3) w(r93f) = k(r93f) * cqss(sqssC2H3) * c(sCH3) w(r94f) = k(r94f) * c(sC3H6) w(r95f) = k(r95f) * c(sC3H6) w(r96f) = k(r96f) * c(sC3H6) * c(sH) w(r97f) = k(r97f) * c(sC3H6) * c(sO2) w(r98f) = k(r98f) * c(sC3H6) * c(sO) w(r99f) = k(r99f) * c(sC3H6) * c(sOH) w(r100f) = k(r100f) * c(sC3H6) * c(sHO2) w(r101f) = k(r101f) * c(sC3H6) * c(sCH3) w(r102f) = k(r102f) * c(sC3H6) * c(sO) w(r103f) = k(r103f) * c(sC3H6) * c(sH) w(r104f) = k(r104f) * c(sC3H6) * c(sH) w(r105f) = k(r105f) * c(sC2H4) * c(sCH3) w(r106f) = k(r106f) * c(sC2H4) * c(sCH3) w(r107f) = k(r107f) * c(sC2H5) * cqss(sqssC3H5XA) w(r108f) = k(r108f) * cqss(sqssC3H5XA) * c(sHO2) w(r109f) = k(r109f) * cqss(sqssC3H5O) w(r110f) = k(r110f) * cqss(sqssC3H5O) w(r111f) = k(r111f) * cqss(sqssC3H5O) w(r112f) = k(r112f) * c(sNC3H7) * c(sO2) w(r113f) = k(r113f) * c(sO2) * cqss(sqssPC4H9) w(r114f) = k(r114f) * cqss(sqssC3H5XA) * c(sCH3) w(r115f) = k(r115f) * cqss(sqssC4H71X3) * c(sH) w(r116f) = k(r116f) * c(sC4H8GL1G) * c(sOH) w(r117f) = k(r117f) * c(sC4H8GL1G) * c(sOH) w(r118f) = k(r118f) * c(sC4H8GL1G) * c(sHO2) w(r119f) = k(r119f) * c(sC4H8GL1G) * c(sHO2) w(r120f) = k(r120f) * c(sC4H8GL1G) * c(sO) w(r121f) = k(r121f) * c(sC4H8GL1G) * c(sO) w(r122f) = k(r122f) * c(sC4H8GL1G) * c(sO2) w(r123f) = k(r123f) * cqss(sqssC4H71X3) * c(sCH3OGL1G) w(r124f) = k(r124f) * cqss(sqssC4H71X3) w(r125f) = k(r125f) * cqss(sqssC4H71X4) w(r126f) = k(r126f) * cqss(sqssC4H71X4) w(r127f) = k(r127f) * cqss(sqssC4H71X3) w(r128f) = k(r128f) * cqss(sqssC4H71X3) * c(sO) w(r129f) = k(r129f) * c(sC4H8GL1G) * c(sH) w(r130f) = k(r130f) * c(sC4H8GL1G) * c(sH) w(r131f) = k(r131f) * c(sC4H8GL1G) * c(sH) w(r132f) = k(r132f) * c(sC4H8GL1G) * c(sH) w(r133f) = k(r133f) * cqss(sqssPC4H9) w(r134f) = k(r134f) * cqss(sqssPC4H9) w(r135f) = k(r135f) * c(sC4H8GL1G) * c(sO) w(r136f) = k(r136f) * c(sC4H8GL1G) w(r137f) = k(r137f) * c(sC4H6) * c(sH) w(r138f) = k(r138f) * c(sC4H6) * c(sOH) w(r139f) = k(r139f) * c(sC4H6) * c(sOH) w(r140f) = k(r140f) * cqss(sqssHCCO) * c(sO2) w(r141f) = k(r141f) * cqss(sqssC2H) * c(sO2) w(r142f) = k(r142f) * c(sC2H3CHO) * c(sOH) w(r143f) = k(r143f) * c(sC2H4) * cqss(sqssHCO) w(r144f) = k(r144f) * c(sC4H6) * c(sO2) w(r145f) = k(r145f) * c(sC2H3CHO) * c(sH) w(r146f) = k(r146f) * c(sO) * c(sOH) * m(mM146) w(r147f) = k(r147f) * c(sC2H5) * c(sO2) w(r148f) = k(r148f) * c(sC2H5) * c(sHO2) w(r149f) = k(r149f) * cqss(sqssCH2GSG) * c(sCH4) w(r150f) = k(r150f) * c(sCH3)**2.0_pr w(r151f) = k(r151f) * c(sC4H6) * c(sCH3) w(r152f) = k(r152f) * c(sC2H2) * c(sC2H5) w(r153f) = k(r153f) * c(sC2H6) w(r154f) = k(r154f) * c(sC2H2) * c(sC2H4) w(r155f) = k(r155f) * c(sC3H6) * c(sO) w(r156f) = k(r156f) * c(sC4H6) * c(sO) w(r157f) = k(r157f) * c(sCH2O) * c(sO) w(r158f) = k(r158f) * c(sC2H2) * c(sHO2) w(r159f) = k(r159f) * c(sC2H4) * c(sO2) w(r160f) = k(r160f) * c(sC4H6) * c(sO2) w(r161f) = k(r161f) * cqss(sqssC4H71X3) * c(sO2) w(r162f) = k(r162f) * cqss(sqssC4H71X4) * c(sO2) w(r163f) = k(r163f) * cqss(sqssCH2CHO) * c(sO2) w(r164f) = k(r164f) * cqss(sqssC2H3) * c(sO) w(r165f) = k(r165f) * cqss(sqssC3H5XA) * c(sO) w(r166f) = k(r166f) * cqss(sqssCH2CHO) * c(sO) w(r167f) = k(r167f) * cqss(sqssCH2CHO) * c(sOH) w(r168f) = k(r168f) * c(sC2H2) * c(sOH) w(r169f) = k(r169f) * c(sC4H6) * c(sO2) w(r170f) = k(r170f) * c(sC2H3CHO) * c(sOH) w(r171f) = k(r171f) * cqss(sqssC5H5) * c(sH) w(r172f) = k(r172f) * c(sC5H6) * c(sOH) w(r173f) = k(r173f) * c(sC5H6) * c(sOH) w(r174f) = k(r174f) * c(sC5H6) * c(sO) w(r175f) = k(r175f) * cqss(sqssC5H5) * c(sHO2) w(r176f) = k(r176f) * cqss(sqssC5H5) * c(sOH) w(r177f) = k(r177f) * cqss(sqssC5H5) * c(sOH) w(r178f) = k(r178f) * c(sC5H6) * c(sH) w(r179f) = k(r179f) * c(sC5H6) * c(sCH3) w(r180f) = k(r180f) * c(sC5H6) * c(sOH) w(r181f) = k(r181f) * cqss(sqssC2H3) * c(sC4H6) w(r182f) = k(r182f) * cqss(sqssC3H5XA) * c(sH) w(r183f) = k(r183f) * c(sC2H2) * c(sO) w(r184f) = k(r184f) * c(sC2H4) * c(sO) w(r185f) = k(r185f) * c(sC2H4) * c(sHO2) w(r186f) = k(r186f) * c(sC2H3CHO) * c(sH) w(r187f) = k(r187f) * c(sC2H3CHO) * c(sCH3) w(r188f) = k(r188f) * c(sC2H3CHO) * c(sO) w(r189f) = k(r189f) * c(sC2H3CHO) * c(sHO2) w(r190f) = k(r190f) * c(sC4H8GL1G) * c(sH) w(r191f) = k(r191f) * c(sC4H8GL1G) * c(sCH3) w(r192f) = k(r192f) * c(sC4H8GL1G) * c(sH) w(r193f) = k(r193f) * c(sC4H8GL1G) * c(sCH3) w(r194f) = k(r194f) * cqss(sqssC2H3) * c(sC4H8GL1G) w(r195f) = k(r195f) * c(sC5H6) * c(sO) w(r196f) = k(r196f) * c(sC5H6) * c(sHO2) w(r197f) = k(r197f) * cqss(sqssNC5H11) w(r198f) = k(r198f) * c(sNC5H10) w(r199f) = k(r199f) * c(sNC5H10) w(r200f) = k(r200f) * c(sH) * c(sNC5H10) w(r201f) = k(r201f) * cqss(sqssNC5H11) * c(sO2) w(r202f) = k(r202f) * c(sC2H5) * c(sC4H8GL1G) w(r203f) = k(r203f) * cqss(sqssC4H71X3) w(r204f) = k(r204f) * cqss(sqssC4H71X3) * c(sO2) w(r205f) = k(r205f) * cqss(sqssC3H5XA) * c(sC3H6) w(r206f) = k(r206f) * c(sCYC6H10) w(r207f) = k(r207f) * c(sCYC6H10) * c(sOH) w(r208f) = k(r208f) * c(sNC7H14) w(r209f) = k(r209f) * c(sH) * c(sNC7H14) w(r210f) = k(r210f) * cqss(sqssNC7H15) w(r211f) = k(r211f) * cqss(sqssNC7H15) w(r212f) = k(r212f) * cqss(sqssNC7H15) w(r213f) = k(r213f) * cqss(sqssNC7H15) w(r214f) = k(r214f) * cqss(sqssNC7H15) * c(sO2) w(r215f) = k(r215f) * cqss(sqssC4H71X4) * c(sO2) w(r216f) = k(r216f) * c(sC6H5) * c(sO2) w(r217f) = k(r217f) * cqss(sqssC7H7GL1G) * c(sH) w(r218f) = k(r218f) * cqss(sqssC7H7GL1G) * c(sO2) w(r219f) = k(r219f) * c(sHO2) * c(sRCRESOLO) w(r220f) = k(r220f) * c(sHO2) * c(sRXYLENE) w(r221f) = k(r221f) * c(sO) * c(sRXYLENE) w(r222f) = k(r222f) * c(sCH3) * c(sXYLENE) w(r223f) = k(r223f) * c(sH) * c(sXYLENE) w(r224f) = k(r224f) * c(sO2) * c(sXYLENE) w(r225f) = k(r225f) * cqss(sqssC2H3) * c(sXYLENE) w(r226f) = k(r226f) * c(sO) * c(sXYLENE) w(r227f) = k(r227f) * c(sOH) * c(sXYLENE) w(r228f) = k(r228f) * c(sHO2) * c(sXYLENE) w(r229f) = k(r229f) * c(sH) * c(sXYLENE) w(r230f) = k(r230f) * c(sCH3) * c(sXYLENE) w(r231f) = k(r231f) * cqss(sqssC2H3) * c(sXYLENE) w(r232f) = k(r232f) * c(sO) * c(sXYLENE) w(r233f) = k(r233f) * c(sOH) * c(sXYLENE) w(r234f) = k(r234f) * c(sXYLENE) w(r235f) = k(r235f) * c(sNC10H21) w(r236f) = k(r236f) * c(sNC10H21) w(r237f) = k(r237f) * c(sNC10H21) w(r238f) = k(r238f) * c(sNC10H21) w(r239f) = k(r239f) * c(sNC12H26) w(r240f) = k(r240f) * c(sNC12H26) w(r241f) = k(r241f) * c(sNC12H25) * c(sO2) w(r242f) = k(r242f) * c(sNC12H25) w(r243f) = k(r243f) * c(sNC12H25) w(r244f) = k(r244f) * c(sNC12H25) w(r245f) = k(r245f) * c(sNC12H25) w(r246f) = k(r246f) * c(sNC12H25) w(r247f) = k(r247f) * c(sNC10H20) w(r248f) = k(r248f) * c(sH) * c(sNC10H20) w(r249f) = k(r249f) * c(sNC10H19) w(r250f) = k(r250f) * c(sMCYC6) w(r251f) = k(r251f) * c(sRMCYC6) w(r252f) = k(r252f) * c(sRMCYC6) w(r253f) = k(r253f) * c(sO2) * c(sRMCYC6) w(r254f) = k(r254f) * c(sH) * c(sNC10H20) w(r255f) = k(r255f) * c(sCH3) * c(sNC10H20) w(r256f) = k(r256f) * c(sNC10H20) * c(sO) w(r257f) = k(r257f) * c(sNC10H20) * c(sOH) w(r258f) = k(r258f) * c(sHO2) * c(sNC10H20) w(r259f) = k(r259f) * c(sH) * c(sNC12H26) w(r260f) = k(r260f) * c(sCH3) * c(sNC12H26) w(r261f) = k(r261f) * cqss(sqssC2H3) * c(sNC12H26) w(r262f) = k(r262f) * c(sC2H5) * c(sNC12H26) w(r263f) = k(r263f) * cqss(sqssC3H5XA) * c(sNC12H26) w(r264f) = k(r264f) * c(sNC12H26) * c(sO) w(r265f) = k(r265f) * c(sNC12H26) * c(sO2) w(r266f) = k(r266f) * c(sNC12H26) * c(sOH) w(r267f) = k(r267f) * c(sHO2) * c(sNC12H26) w(r268f) = k(r268f) * c(sCH3) * c(sMCYC6) w(r269f) = k(r269f) * cqss(sqssC2H3) * c(sMCYC6) w(r270f) = k(r270f) * c(sC2H5) * c(sMCYC6) w(r271f) = k(r271f) * cqss(sqssC3H5XA) * c(sMCYC6) w(r272f) = k(r272f) * c(sMCYC6) * c(sO) w(r273f) = k(r273f) * c(sMCYC6) * c(sOH) w(r274f) = k(r274f) * c(sMCYC6) * c(sO2) w(r275f) = k(r275f) * c(sHO2) * c(sMCYC6) w(r276f) = k(r276f) * c(sH) * c(sMCYC6) 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(sH2O) * c(sOH) w(r8b) = k(r8b) * c(sH2) * c(sHO2) w(r9b) = k(r9b) * c(sH2O) * c(sHO2) w(r10b) = k(r10b) * c(sH2O) * c(sHO2) w(r11b) = k(r11b) * c(sOH)**2.0_pr w(r12b) = k(r12b) * c(sH2) * c(sO2) w(r13b) = k(r13b) * c(sO2) * c(sOH) w(r14b) = k(r14b) * c(sH2O) * c(sO2) w(r15b) = k(r15b) * c(sH2O) * c(sO2) w(r16b) = k(r16b) * c(sH2O2) * c(sO2) w(r17b) = k(r17b) * c(sH2O2) * c(sO2) w(r18b) = k(r18b) * c(sHO2) w(r19b) = k(r19b) * c(sCO2) w(r20b) = k(r20b) * c(sCO2) * c(sH) w(r21b) = k(r21b) * c(sCO2) * c(sH) w(r22b) = k(r22b) * c(sCH4) w(r23b) = k(r23b) * c(sCH3) * c(sH2) w(r24b) = k(r24b) * c(sCH3) * c(sOH) w(r25b) = k(r25b) * c(sCH3) * c(sH2O) w(r26b) = k(r26b) * c(sCH3) * c(sH2O2) w(r27b) = k(r27b) * c(sCH4) * c(sO2) w(r29b) = k(r29b) * c(sCO) * c(sH2O) w(r30b) = k(r30b) * c(sCH3) * c(sH) w(r31b) = k(r31b) * c(sCH2O) * c(sOH) w(r32b) = k(r32b) * c(sCH2O) * c(sH) w(r33b) = k(r33b) * cqss(sqssCH2GSG) * c(sH2O) w(r34b) = k(r34b) * c(sCH3OGL1G) * c(sH) w(r35b) = k(r35b) * c(sCH3OGL1G) * c(sH) w(r36b) = k(r36b) * c(sCH3OGL1G) * c(sOH) w(r37b) = k(r37b) * c(sCH2O) * c(sHO2) w(r38b) = k(r38b) * c(sCH2O) * c(sHO2) w(r39b) = k(r39b) * c(sCH2O) * c(sCH4) w(r40b) = k(r40b) * cqss(sqssHCO) * c(sOH) w(r41b) = k(r41b) * c(sH2) * cqss(sqssHCO) w(r42b) = k(r42b) * c(sH2O) * cqss(sqssHCO) w(r43b) = k(r43b) * c(sH2O2) * cqss(sqssHCO) w(r44b) = k(r44b) * c(sCH4) * cqss(sqssHCO) w(r45b) = k(r45b) * c(sCO) * c(sH) * m(mM45) w(r46b) = k(r46b) * c(sCO) * c(sHO2) w(r47b) = k(r47b) * c(sCO) * c(sH2) w(r48b) = k(r48b) * c(sCO) * c(sH2O) w(r49b) = k(r49b) * c(sCH4) * c(sCO) w(r51b) = k(r51b) * c(sCH3OGL1G) w(r52b) = k(r52b) * c(sCH2O) * c(sH) w(r53b) = k(r53b) * c(sC2H6) w(r54b) = k(r54b) * c(sC2H6) w(r55b) = k(r55b) * c(sC2H5) * c(sOH) w(r56b) = k(r56b) * c(sC2H5) * c(sH2) w(r57b) = k(r57b) * c(sC2H5) * c(sH2O) w(r58b) = k(r58b) * c(sC2H5) * c(sCH4) w(r59b) = k(r59b) * c(sC2H5) w(r60b) = k(r60b) * c(sC2H4) * c(sH2) w(r61b) = k(r61b) * c(sC2H4) * c(sCH4) w(r62b) = k(r62b) * c(sC2H5) * c(sH) w(r63b) = k(r63b) * c(sC2H4) * c(sHO2) w(r64b) = k(r64b) * c(sC2H4) w(r65b) = k(r65b) * c(sC2H2) * c(sH2) * m(mM65) w(r66b) = k(r66b) * cqss(sqssC2H3) * c(sH2) w(r67b) = k(r67b) * cqss(sqssC2H3) * c(sH2O) w(r68b) = k(r68b) * cqss(sqssC2H3) * c(sCH4) w(r69b) = k(r69b) * c(sCH3) * cqss(sqssHCO) w(r70b) = k(r70b) * cqss(sqssCH2CHO) * c(sH) w(r71b) = k(r71b) * cqss(sqssC2H3) w(r72b) = k(r72b) * cqss(sqssCH2CHO) * c(sO) w(r73b) = k(r73b) * cqss(sqssCH2CHO) * c(sO) w(r74b) = k(r74b) * c(sC2H2) * c(sHO2) w(r75b) = k(r75b) * c(sC2H2) * c(sHO2) w(r76b) = k(r76b) * c(sCH2O) * cqss(sqssHCO) w(r77b) = k(r77b) * c(sCH2O) * cqss(sqssHCO) w(r80b) = k(r80b) * c(sC2H2) * c(sH2) w(r81b) = k(r81b) * c(sC2H2) * c(sH2O) w(r82b) = k(r82b) * c(sH) * cqss(sqssHCCO) w(r83b) = k(r83b) * cqss(sqssC2H3) * c(sCO) w(r84b) = k(r84b) * c(sCO) * cqss(sqssHCO) w(r85b) = k(r85b) * c(sC2H2) * c(sH) w(r86b) = k(r86b) * c(sCH3) * c(sCO) w(r88b) = k(r88b) * cqss(sqssCH2GSG) * c(sCO) w(r91b) = k(r91b) * c(sC3H6) w(r92b) = k(r92b) * cqss(sqssC3H5XA) * c(sH) w(r93b) = k(r93b) * cqss(sqssC3H5XA) * c(sH) w(r94b) = k(r94b) * cqss(sqssC3H5XA) * c(sH) w(r95b) = k(r95b) * cqss(sqssC3H5XA) * c(sH) w(r96b) = k(r96b) * cqss(sqssC3H5XA) * c(sH2) w(r97b) = k(r97b) * cqss(sqssC3H5XA) * c(sHO2) w(r98b) = k(r98b) * cqss(sqssC3H5XA) * c(sOH) w(r99b) = k(r99b) * cqss(sqssC3H5XA) * c(sH2O) w(r100b) = k(r100b) * cqss(sqssC3H5XA) * c(sH2O2) w(r101b) = k(r101b) * cqss(sqssC3H5XA) * c(sCH4) w(r102b) = k(r102b) * c(sC2H5) * cqss(sqssHCO) w(r103b) = k(r103b) * c(sNC3H7) w(r104b) = k(r104b) * c(sNC3H7) w(r105b) = k(r105b) * c(sNC3H7) w(r106b) = k(r106b) * c(sNC3H7) w(r107b) = k(r107b) * c(sC2H4) * c(sC3H6) w(r108b) = k(r108b) * cqss(sqssC3H5O) * c(sOH) w(r109b) = k(r109b) * cqss(sqssC2H3) * c(sCH2O) w(r110b) = k(r110b) * c(sC2H3CHO) * c(sH) w(r111b) = k(r111b) * c(sC2H4) * cqss(sqssHCO) w(r112b) = k(r112b) * c(sC3H6) * c(sHO2) w(r113b) = k(r113b) * c(sC4H8GL1G) * c(sHO2) w(r114b) = k(r114b) * c(sC4H8GL1G) w(r115b) = k(r115b) * c(sC4H8GL1G) w(r116b) = k(r116b) * cqss(sqssC4H71X3) * c(sH2O) w(r117b) = k(r117b) * cqss(sqssC4H71X4) * c(sH2O) w(r118b) = k(r118b) * cqss(sqssC4H71X3) * c(sH2O2) w(r119b) = k(r119b) * cqss(sqssC4H71X4) * c(sH2O2) w(r120b) = k(r120b) * cqss(sqssC4H71X3) * c(sOH) w(r121b) = k(r121b) * cqss(sqssC4H71X4) * c(sOH) w(r122b) = k(r122b) * cqss(sqssC4H71X3) * c(sHO2) w(r123b) = k(r123b) * c(sC4H8GL1G) * c(sCH2O) w(r124b) = k(r124b) * c(sC4H6) * c(sH) w(r125b) = k(r125b) * cqss(sqssC2H3) * c(sC2H4) w(r126b) = k(r126b) * c(sC4H6) * c(sH) w(r127b) = k(r127b) * cqss(sqssC4H71X4) w(r128b) = k(r128b) * c(sC2H3CHO) * c(sCH3) w(r129b) = k(r129b) * c(sC2H4) * c(sC2H5) w(r130b) = k(r130b) * c(sC2H4) * c(sC2H5) w(r131b) = k(r131b) * cqss(sqssPC4H9) w(r132b) = k(r132b) * cqss(sqssPC4H9) w(r133b) = k(r133b) * c(sC2H4) * c(sC2H5) w(r134b) = k(r134b) * c(sC3H6) * c(sCH3) w(r135b) = k(r135b) * cqss(sqssHCO) * c(sNC3H7) w(r136b) = k(r136b) * c(sC4H6) * c(sH2) w(r137b) = k(r137b) * cqss(sqssC2H3) * c(sC2H4) w(r138b) = k(r138b) * c(sC2H3CHO) * c(sCH3) w(r139b) = k(r139b) * cqss(sqssC3H5XA) * c(sCH2O) w(r140b) = k(r140b) * c(sCO2) * cqss(sqssHCO) w(r141b) = k(r141b) * cqss(sqssHCCO) * c(sO) w(r146b) = k(r146b) * c(sHO2) * m(mM146) w(r149b) = k(r149b) * c(sCH3)**2.0_pr w(r153b) = k(r153b) * c(sC2H4) * c(sH2) w(r154b) = k(r154b) * c(sC4H6) w(r171b) = k(r171b) * c(sC5H6) w(r182b) = k(r182b) * c(sC3H6) w(r198b) = k(r198b) * c(sC2H5) * cqss(sqssC3H5XA) w(r199b) = k(r199b) * cqss(sqssC4H71X3) * c(sCH3) w(r200b) = k(r200b) * cqss(sqssNC5H11) w(r202b) = k(r202b) * c(sCH3) * c(sNC5H10) w(r203b) = k(r203b) * cqss(sqssC2H3) * c(sC2H4) w(r205b) = k(r205b) * c(sCYC6H10) * c(sH) w(r206b) = k(r206b) * c(sC2H4) * c(sC4H6) w(r209b) = k(r209b) * cqss(sqssNC7H15) w(r210b) = k(r210b) * c(sC2H4) * cqss(sqssNC5H11) w(r211b) = k(r211b) * c(sC3H6) * cqss(sqssPC4H9) w(r212b) = k(r212b) * c(sC4H8GL1G) * c(sNC3H7) w(r213b) = k(r213b) * c(sC2H5) * c(sNC5H10) w(r216b) = k(r216b) * cqss(sqssC5H5) * c(sCO2) w(r217b) = k(r217b) * c(sC6H5) * c(sCH3) w(r218b) = k(r218b) * c(sO) * c(sRCRESOLO) w(r224b) = k(r224b) * c(sHO2) * c(sRXYLENE) w(r234b) = k(r234b) * c(sH) * c(sRXYLENE) w(r248b) = k(r248b) * c(sNC10H21) 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(r8f) & - w(r8b) & + w(r12f) & - w(r12b) & + w(r23f) & - w(r23b) & - w(r30f) & + w(r30b) & + w(r41f) & - w(r41b) & + w(r47f) & - w(r47b) & + w(r56f) & - w(r56b) & + w(r60f) & - w(r60b) & + w(r65f) & - w(r65b) & + w(r66f) & - w(r66b) & + w(r80f) & - w(r80b) & - w(r85f) & + w(r85b) & + w(r87f) & + w(r96f) & - w(r96b) & + w(r136f) & - w(r136b) & + w(r150f) & + w(r153f) & - w(r153b) & + w(r178f) & + w(r186f) & + w(r190f) & + w(r192f) & + w(r223f) & + w(r229f) & + w(r254f) & + w(r259f) & + w(r276f) cdot(sH) = 0.0_pr & + w(r1f) & - w(r1b) & + w(r2f) & - w(r2b) & - w(r3f) & + w(r3b) & - w(r4f) & + w(r4b) & - w(r7f) & + w(r7b) & - w(r8f) & + w(r8b) & - w(r11f) & + w(r11b) & - w(r12f) & + w(r12b) & - w(r18f) & + w(r18b) & + w(r20f) & - w(r20b) & + w(r21f) & - w(r21b) & - w(r22f) & + w(r22b) & - w(r23f) & + w(r23b) & + w(r28f) & + w(r30f) & - w(r30b) & + w(r32f) & - w(r32b) & + w(r34f) & - w(r34b) & + w(r35f) & - w(r35b) & - w(r41f) & + w(r41b) & + w(r45f) & - w(r45b) & - w(r47f) & + w(r47b) & + w(r50f) & - w(r51f) & + w(r51b) & + w(r52f) & - w(r52b) & - w(r54f) & + w(r54b) & - w(r56f) & + w(r56b) & - w(r59f) & + w(r59b) & - w(r60f) & + w(r60b) & + w(r62f) & - w(r62b) & - w(r64f) & + w(r64b) & - w(r66f) & + w(r66b) & + w(r70f) & - w(r70b) & - w(r71f) & + w(r71b) & + w(r78f) & + w(r79f) & - w(r80f) & + w(r80b) & + w(r82f) & - w(r82b) & + w(r85f) & - w(r85b) & - w(r88f) & + w(r88b) & + w(r89f) & + w(r92f) & - w(r92b) & + w(r93f) & - w(r93b) & + w(r94f) & - w(r94b) & + w(r95f) & - w(r95b) & - w(r96f) & + w(r96b) & - w(r103f) & + w(r103b) & - w(r104f) & + w(r104b) & + w(r110f) & - w(r110b) & - w(r115f) & + w(r115b) & + w(r124f) & - w(r124b) & + w(r126f) & - w(r126b) & - w(r129f) & + w(r129b) & - w(r130f) & + w(r130b) & - w(r131f) & + w(r131b) & - w(r132f) & + w(r132b) & - w(r137f) & + w(r137b) & + w(r142f) & + 0.2_pr * w(r143f) & - w(r145f) & + 2.0_pr * w(r155f) & + 2.0_pr * w(r157f) & - w(r171f) & + w(r171b) & - w(r178f) & - w(r182f) & + w(r182b) & - w(r186f) & - w(r190f) & - w(r192f) & - w(r200f) & + w(r200b) & + w(r205f) & - w(r205b) & - w(r209f) & + w(r209b) & - w(r217f) & + w(r217b) & - w(r223f) & - w(r229f) & + w(r234f) & - w(r234b) & - w(r248f) & + w(r248b) & - w(r254f) & - w(r259f) & - w(r276f) cdot(sO2) = 0.0_pr & - w(r3f) & + w(r3b) & + w(r12f) & - w(r12b) & + w(r13f) & - w(r13b) & + w(r14f) & - w(r14b) & + w(r15f) & - w(r15b) & + w(r16f) & - w(r16b) & + w(r17f) & - w(r17b) & - w(r18f) & + w(r18b) & + w(r27f) & - w(r27b) & - w(r28f) & - w(r29f) & + w(r29b) & - w(r31f) & + w(r31b) & - w(r37f) & + w(r37b) & - w(r38f) & + w(r38b) & - w(r46f) & + w(r46b) & - w(r63f) & + w(r63b) & - w(r72f) & + w(r72b) & - w(r73f) & + w(r73b) & - w(r74f) & + w(r74b) & - w(r75f) & + w(r75b) & - w(r76f) & + w(r76b) & - w(r77f) & + w(r77b) & - w(r78f) & - w(r79f) & - w(r84f) & + w(r84b) & - w(r89f) & - w(r97f) & + w(r97b) & - w(r112f) & + w(r112b) & - w(r113f) & + w(r113b) & - w(r122f) & + w(r122b) & - w(r140f) & + w(r140b) & - w(r141f) & + w(r141b) & - w(r144f) & - w(r147f) & - w(r159f) & - w(r161f) & - w(r162f) & - w(r163f) & - w(r169f) & - w(r201f) & - w(r204f) & - w(r214f) & - w(r215f) & - w(r216f) & + w(r216b) & - w(r218f) & + w(r218b) & - w(r224f) & + w(r224b) & - w(r241f) & - w(r253f) & - w(r265f) & - w(r274f) cdot(sO) = 0.0_pr & - w(r1f) & + w(r1b) & + w(r3f) & - w(r3b) & - w(r5f) & + w(r5b) & - w(r13f) & + w(r13b) & - w(r19f) & + w(r19b) & - w(r24f) & + w(r24b) & - w(r32f) & + w(r32b) & - w(r40f) & + w(r40b) & - w(r55f) & + w(r55b) & - w(r69f) & + w(r69b) & - w(r70f) & + w(r70b) & + w(r72f) & - w(r72b) & + w(r73f) & - w(r73b) & - w(r82f) & + w(r82b) & - w(r98f) & + w(r98b) & - w(r102f) & + w(r102b) & - w(r120f) & + w(r120b) & - w(r121f) & + w(r121b) & - w(r128f) & + w(r128b) & - w(r135f) & + w(r135b) & + w(r141f) & - w(r141b) & - w(r146f) & + w(r146b) & - w(r155f) & - w(r156f) & - w(r157f) & - w(r164f) & - w(r165f) & - w(r166f) & - w(r174f) & - w(r183f) & - w(r184f) & - w(r188f) & - w(r195f) & + w(r218f) & - w(r218b) & - w(r221f) & - w(r226f) & - w(r232f) & - w(r256f) & - w(r264f) & - w(r272f) cdot(sH2O) = 0.0_pr & + w(r2f) & - w(r2b) & + w(r4f) & - w(r4b) & - w(r5f) & + w(r5b) & + w(r7f) & - w(r7b) & + w(r9f) & - w(r9b) & + w(r10f) & - w(r10b) & + w(r14f) & - w(r14b) & + w(r15f) & - w(r15b) & + w(r25f) & - w(r25b) & + w(r29f) & - w(r29b) & + w(r33f) & - w(r33b) & + w(r42f) & - w(r42b) & + w(r48f) & - w(r48b) & + w(r57f) & - w(r57b) & + w(r67f) & - w(r67b) & + w(r81f) & - w(r81b) & + w(r99f) & - w(r99b) & + w(r116f) & - w(r116b) & + w(r117f) & - w(r117b) & + w(r170f) & + w(r180f) & + w(r227f) & + w(r233f) & + w(r257f) & + w(r266f) & + w(r273f) 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(r7f) & - w(r7b) & - w(r9f) & + w(r9b) & - w(r10f) & + w(r10b) & + 2.0_pr * w(r11f) & - 2.0_pr * w(r11b) & + w(r13f) & - w(r13b) & - w(r14f) & + w(r14b) & - w(r15f) & + w(r15b) & - w(r20f) & + w(r20b) & - w(r21f) & + w(r21b) & + w(r24f) & - w(r24b) & - w(r25f) & + w(r25b) & + w(r28f) & + w(r31f) & - w(r31b) & - w(r33f) & + w(r33b) & - w(r34f) & + w(r34b) & - w(r35f) & + w(r35b) & + w(r36f) & - w(r36b) & + w(r40f) & - w(r40b) & - w(r42f) & + w(r42b) & - w(r48f) & + w(r48b) & + w(r50f) & + w(r55f) & - w(r55b) & - w(r57f) & + w(r57b) & - w(r67f) & + w(r67b) & - w(r81f) & + w(r81b) & - w(r87f) & + w(r90f) & + w(r98f) & - w(r98b) & - w(r99f) & + w(r99b) & + w(r108f) & - w(r108b) & - w(r116f) & + w(r116b) & - w(r117f) & + w(r117b) & + w(r120f) & - w(r120b) & + w(r121f) & - w(r121b) & - w(r138f) & + w(r138b) & - w(r139f) & + w(r139b) & - w(r142f) & - w(r146f) & + w(r146b) & + w(r148f) & + w(r163f) & - w(r167f) & - w(r168f) & - w(r170f) & - w(r172f) & - w(r173f) & + w(r175f) & - w(r176f) & - w(r177f) & - w(r180f) & + w(r183f) & + w(r184f) & + w(r188f) & + w(r195f) & - w(r207f) & + w(r219f) & + w(r220f) & + w(r226f) & - w(r227f) & + w(r232f) & - w(r233f) & + w(r256f) & - w(r257f) & + w(r264f) & - w(r266f) & + w(r272f) & - w(r273f) cdot(sH2O2) = 0.0_pr & - w(r6f) & + w(r6b) & - w(r7f) & + w(r7b) & - w(r8f) & + w(r8b) & - w(r9f) & + w(r9b) & - w(r10f) & + w(r10b) & + w(r16f) & - w(r16b) & + w(r17f) & - w(r17b) & + w(r26f) & - w(r26b) & + w(r43f) & - w(r43b) & + w(r100f) & - w(r100b) & + w(r118f) & - w(r118b) & + w(r119f) & - w(r119b) & + w(r185f) & + w(r189f) & + w(r196f) & + w(r228f) & + w(r258f) & + w(r267f) & + w(r275f) cdot(sHO2) = 0.0_pr & + w(r8f) & - w(r8b) & + w(r9f) & - w(r9b) & + w(r10f) & - w(r10b) & - w(r11f) & + w(r11b) & - w(r12f) & + w(r12b) & - w(r13f) & + w(r13b) & - w(r14f) & + w(r14b) & - w(r15f) & + w(r15b) & -2.0_pr * w(r16f) & + 2.0_pr * w(r16b) & -2.0_pr * w(r17f) & + 2.0_pr * w(r17b) & + w(r18f) & - w(r18b) & - w(r26f) & + w(r26b) & - w(r27f) & + w(r27b) & - w(r36f) & + w(r36b) & + w(r37f) & - w(r37b) & + w(r38f) & - w(r38b) & - w(r43f) & + w(r43b) & + w(r46f) & - w(r46b) & - w(r50f) & + w(r63f) & - w(r63b) & + w(r74f) & - w(r74b) & + w(r75f) & - w(r75b) & - w(r90f) & + w(r97f) & - w(r97b) & - w(r100f) & + w(r100b) & - w(r108f) & + w(r108b) & + w(r112f) & - w(r112b) & + w(r113f) & - w(r113b) & - w(r118f) & + w(r118b) & - w(r119f) & + w(r119b) & + w(r122f) & - w(r122b) & + w(r146f) & - w(r146b) & - w(r148f) & - w(r158f) & + w(r161f) & + w(r162f) & - w(r175f) & - w(r185f) & - w(r189f) & - w(r196f) & + w(r201f) & + w(r214f) & - w(r219f) & - w(r220f) & + w(r224f) & - w(r224b) & - w(r228f) & + w(r241f) & + w(r253f) & - w(r258f) & + w(r265f) & - w(r267f) & + w(r274f) & - w(r275f) cdot(sCO) = 0.0_pr & - w(r19f) & + w(r19b) & - w(r20f) & + w(r20b) & - w(r21f) & + w(r21b) & + w(r28f) & + w(r29f) & - w(r29b) & + w(r45f) & - w(r45b) & + w(r46f) & - w(r46b) & + w(r47f) & - w(r47b) & + w(r48f) & - w(r48b) & + w(r49f) & - w(r49b) & + w(r78f) & + w(r79f) & + w(r83f) & - w(r83b) & + w(r84f) & - w(r84b) & + w(r86f) & - w(r86b) & + 2.0_pr * w(r87f) & + w(r88f) & - w(r88b) & + w(r89f) & + 0.8_pr * w(r143f) & + w(r156f) & + w(r163f) & + w(r169f) & + w(r170f) & + w(r174f) & + w(r175f) & + w(r176f) & + w(r177f) & + w(r186f) & + w(r187f) & + w(r188f) & + w(r189f) & + w(r219f) cdot(sCO2) = 0.0_pr & + w(r19f) & - w(r19b) & + w(r20f) & - w(r20b) & + w(r21f) & - w(r21b) & + w(r50f) & + w(r89f) & + w(r140f) & - w(r140b) & + w(r142f) & + w(r157f) & + w(r216f) & - w(r216b) cdot(sCH4) = 0.0_pr & + w(r22f) & - w(r22b) & - w(r23f) & + w(r23b) & - w(r24f) & + w(r24b) & - w(r25f) & + w(r25b) & - w(r26f) & + w(r26b) & + w(r27f) & - w(r27b) & + w(r39f) & - w(r39b) & + w(r44f) & - w(r44b) & + w(r49f) & - w(r49b) & + w(r58f) & - w(r58b) & + w(r61f) & - w(r61b) & + w(r68f) & - w(r68b) & + w(r101f) & - w(r101b) & - w(r149f) & + w(r149b) & + w(r179f) & + w(r187f) & + w(r191f) & + w(r193f) & + w(r222f) & + w(r230f) & + w(r255f) & + w(r260f) & + w(r268f) cdot(sCH3) = 0.0_pr & - w(r22f) & + w(r22b) & + w(r23f) & - w(r23b) & + w(r24f) & - w(r24b) & + w(r25f) & - w(r25b) & + w(r26f) & - w(r26b) & - w(r27f) & + w(r27b) & + w(r30f) & - w(r30b) & - w(r31f) & + w(r31b) & - w(r32f) & + w(r32b) & - w(r33f) & + w(r33b) & - w(r34f) & + w(r34b) & - w(r35f) & + w(r35b) & - w(r36f) & + w(r36b) & - w(r39f) & + w(r39b) & - w(r44f) & + w(r44b) & - w(r49f) & + w(r49b) & -2.0_pr * w(r53f) & + 2.0_pr * w(r53b) & - w(r58f) & + w(r58b) & - w(r61f) & + w(r61b) & -2.0_pr * w(r62f) & + 2.0_pr * w(r62b) & - w(r68f) & + w(r68b) & + w(r69f) & - w(r69b) & + w(r86f) & - w(r86b) & - w(r91f) & + w(r91b) & - w(r92f) & + w(r92b) & - w(r93f) & + w(r93b) & - w(r101f) & + w(r101b) & - w(r105f) & + w(r105b) & - w(r106f) & + w(r106b) & - w(r114f) & + w(r114b) & + w(r128f) & - w(r128b) & + w(r134f) & - w(r134b) & + w(r138f) & - w(r138b) & + w(r148f) & + 2.0_pr * w(r149f) & - 2.0_pr * w(r149b) & -2.0_pr * w(r150f) & - w(r151f) & - w(r179f) & + w(r181f) & - w(r187f) & - w(r191f) & - w(r193f) & + 0.2_pr * w(r197f) & + w(r199f) & - w(r199b) & + w(r202f) & - w(r202b) & + 0.5_pr * w(r208f) & + w(r217f) & - w(r217b) & - w(r222f) & - w(r230f) & + 0.4_pr * w(r235f) & + 0.4_pr * w(r242f) & + w(r251f) & + 0.5_pr * w(r252f) & - w(r255f) & - w(r260f) & - w(r268f) cdot(sCH2O) = 0.0_pr & + w(r31f) & - w(r31b) & + w(r32f) & - w(r32b) & + 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(r51f) & + w(r51b) & + w(r52f) & - w(r52b) & + w(r76f) & - w(r76b) & + w(r77f) & - w(r77b) & + w(r78f) & + w(r79f) & + w(r90f) & + w(r109f) & - w(r109b) & + w(r123f) & - w(r123b) & + w(r139f) & - w(r139b) & + w(r144f) & + w(r147f) & + w(r148f) & - w(r157f) & + w(r158f) & + w(r163f) & + w(r165f) & + w(r166f) & + 2.0_pr * w(r215f) & + w(r220f) & + w(r221f) cdot(sC2H6) = 0.0_pr & + w(r53f) & - w(r53b) & + w(r54f) & - w(r54b) & - w(r55f) & + w(r55b) & - w(r56f) & + w(r56b) & - w(r57f) & + w(r57b) & - w(r58f) & + w(r58b) & - w(r153f) & + w(r153b) & + w(r262f) & + w(r270f) cdot(sC2H5) = 0.0_pr & - 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(r60f) & + w(r60b) & - w(r61f) & + w(r61b) & + w(r62f) & - w(r62b) & - w(r63f) & + w(r63b) & + w(r90f) & + w(r102f) & - w(r102b) & - w(r107f) & + w(r107b) & + w(r129f) & - w(r129b) & + w(r130f) & - w(r130b) & + w(r133f) & - w(r133b) & + 0.8_pr * w(r143f) & - w(r147f) & - w(r148f) & - w(r152f) & + w(r169f) & + 0.55_pr * w(r197f) & + w(r198f) & - w(r198b) & - w(r202f) & + w(r202b) & + 0.5_pr * w(r208f) & + w(r213f) & - w(r213b) & + 0.5_pr * w(r236f) & + 0.5_pr * w(r239f) & + 0.3_pr * w(r243f) & - w(r262f) & - w(r270f) cdot(sC2H4) = 0.0_pr & - w(r59f) & + w(r59b) & + w(r60f) & - w(r60b) & + w(r61f) & - w(r61b) & + w(r63f) & - w(r63b) & + w(r64f) & - w(r64b) & - 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(r105f) & + w(r105b) & - w(r106f) & + w(r106b) & + w(r107f) & - w(r107b) & + w(r111f) & - w(r111b) & + w(r125f) & - w(r125b) & + w(r129f) & - w(r129b) & + w(r130f) & - w(r130b) & + w(r133f) & - w(r133b) & + w(r137f) & - w(r137b) & + w(r142f) & - w(r143f) & + w(r145f) & + w(r150f) & + w(r151f) & + w(r153f) & - w(r153b) & - w(r154f) & + w(r154b) & - w(r159f) & + w(r160f) & + w(r173f) & + w(r175f) & + w(r176f) & - w(r184f) & - w(r185f) & + w(r194f) & + 0.25_pr * w(r197f) & + w(r203f) & - w(r203b) & + w(r206f) & - w(r206b) & + w(r210f) & - w(r210b) & + w(r225f) & + 0.5_pr * w(r229f) & + 0.5_pr * w(r230f) & + 1.5_pr * w(r231f) & + 0.5_pr * w(r232f) & + 0.5_pr * w(r233f) & + 0.85_pr * w(r235f) & + 0.35_pr * w(r236f) & + w(r242f) & + 0.9_pr * w(r243f) & + 0.35_pr * w(r245f) & + 0.3_pr * w(r246f) & + 0.6_pr * w(r249f) & + w(r251f) & + 0.5_pr * w(r253f) & + w(r261f) & + w(r269f) cdot(sC2H2) = 0.0_pr & + w(r65f) & - w(r65b) & - w(r71f) & + w(r71b) & + w(r74f) & - w(r74b) & + w(r75f) & - w(r75b) & + w(r80f) & - w(r80b) & + w(r81f) & - w(r81b) & - w(r82f) & + w(r82b) & - w(r83f) & + w(r83b) & + w(r85f) & - w(r85b) & - w(r152f) & - w(r154f) & + w(r154b) & - w(r158f) & + w(r160f) & - w(r168f) & + w(r173f) & + w(r176f) & - w(r183f) cdot(sNC3H7) = 0.0_pr & - w(r90f) & + w(r103f) & - w(r103b) & + w(r104f) & - w(r104b) & + w(r105f) & - w(r105b) & + w(r106f) & - w(r106b) & - w(r112f) & + w(r112b) & + w(r135f) & - w(r135b) & + 0.25_pr * w(r197f) & + w(r207f) & + 0.5_pr * w(r208f) & + w(r212f) & - w(r212b) & + 0.5_pr * w(r236f) & + 0.5_pr * w(r239f) & + 0.7_pr * w(r243f) cdot(sC3H6) = 0.0_pr & + w(r91f) & - w(r91b) & - w(r94f) & + w(r94b) & - w(r95f) & + w(r95b) & - w(r96f) & + w(r96b) & - w(r97f) & + w(r97b) & - w(r98f) & + w(r98b) & - 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(r107f) & - w(r107b) & + w(r112f) & - w(r112b) & + w(r134f) & - w(r134b) & - w(r155f) & + w(r156f) & + w(r182f) & - w(r182b) & + 0.55_pr * w(r197f) & - w(r205f) & + w(r205b) & + w(r211f) & - w(r211b) & + 0.7_pr * w(r236f) & + 0.75_pr * w(r238f) & + 0.2_pr * w(r244f) & + 0.5_pr * w(r246f) & + 0.6_pr * w(r249f) & + 0.7_pr * w(r250f) & + 0.5_pr * w(r252f) & + w(r263f) & + w(r271f) cdot(sC2H3CHO) = 0.0_pr & + w(r110f) & - w(r110b) & + w(r128f) & - w(r128b) & + w(r138f) & - w(r138b) & - w(r142f) & + 0.2_pr * w(r143f) & + w(r144f) & - w(r145f) & + w(r155f) & - w(r170f) & - w(r186f) & - w(r187f) & - w(r188f) & - w(r189f) & + w(r204f) & + w(r207f) cdot(sC4H6) = 0.0_pr & + w(r124f) & - w(r124b) & + w(r126f) & - w(r126b) & + w(r136f) & - w(r136b) & - w(r137f) & + w(r137b) & - w(r138f) & + w(r138b) & - w(r139f) & + w(r139b) & - w(r144f) & - w(r151f) & + w(r154f) & - w(r154b) & - w(r156f) & - w(r160f) & + w(r161f) & + w(r162f) & - w(r169f) & + w(r172f) & + w(r174f) & + w(r177f) & - w(r181f) & + w(r206f) & - w(r206b) & + 0.5_pr * w(r208f) & + w(r251f) cdot(sC6H5) = 0.0_pr & - w(r216f) & + w(r216b) & + w(r217f) & - w(r217b) cdot(sC5H6) = 0.0_pr & + w(r171f) & - w(r171b) & - w(r172f) & - w(r173f) & - w(r174f) & - w(r178f) & - w(r179f) & - w(r180f) & + w(r181f) & - w(r195f) & - w(r196f) & + w(r219f) cdot(sNC5H10) = 0.0_pr & - w(r198f) & + w(r198b) & - w(r199f) & + w(r199b) & - w(r200f) & + w(r200b) & + w(r201f) & + w(r202f) & - w(r202b) & + w(r213f) & - w(r213b) & + 0.45_pr * w(r237f) & + 0.25_pr * w(r238f) & + 0.75_pr * w(r245f) cdot(sCYC6H10) = 0.0_pr & + w(r205f) & - w(r205b) & - w(r206f) & + w(r206b) & - w(r207f) & + 0.5_pr * w(r252f) & + w(r253f) cdot(sNC7H14) = 0.0_pr & - w(r208f) & - w(r209f) & + w(r209b) & + w(r214f) & + 0.1_pr * w(r235f) & + 0.5_pr * w(r236f) & + 0.25_pr * w(r237f) & + 0.166667_pr * w(r243f) & + 0.833333_pr * w(r244f) & + 0.15_pr * w(r245f) & + 0.5_pr * w(r249f) & + 0.3_pr * w(r250f) cdot(sRCRESOLO) = 0.0_pr & + w(r218f) & - w(r218b) & - w(r219f) cdot(sXYLENE) = 0.0_pr & - w(r222f) & - w(r223f) & - w(r224f) & + w(r224b) & - w(r225f) & - w(r226f) & - w(r227f) & - w(r228f) & - w(r229f) & - w(r230f) & - w(r231f) & - w(r232f) & - w(r233f) & - w(r234f) & + w(r234b) cdot(sRXYLENE) = 0.0_pr & - w(r220f) & - w(r221f) & + w(r222f) & + w(r223f) & + w(r224f) & - w(r224b) & + w(r225f) & + w(r226f) & + w(r227f) & + w(r228f) & + w(r234f) & - w(r234b) cdot(sRMCYC6) = 0.0_pr & - w(r251f) & - w(r252f) & - w(r253f) & + w(r268f) & + w(r269f) & + w(r270f) & + w(r271f) & + w(r272f) & + w(r273f) & + w(r274f) & + w(r275f) & + w(r276f) cdot(sMCYC6) = 0.0_pr & - w(r250f) & - w(r268f) & - w(r269f) & - w(r270f) & - w(r271f) & - w(r272f) & - w(r273f) & - w(r274f) & - w(r275f) & - w(r276f) cdot(sNC10H21) = 0.0_pr & -0.8_pr * w(r235f) & - w(r236f) & - w(r237f) & - w(r238f) & + 0.6_pr * w(r242f) & + 0.5_pr * w(r246f) & + w(r248f) & - w(r248b) cdot(sNC12H25) = 0.0_pr & + 0.5_pr * w(r239f) & + 0.1_pr * w(r240f) & - w(r241f) & - w(r242f) & - w(r243f) & - w(r244f) & - w(r245f) & - w(r246f) & + w(r259f) & + w(r260f) & + w(r261f) & + w(r262f) & + w(r263f) & + w(r264f) & + w(r265f) & + w(r266f) & + w(r267f) cdot(sNC10H19) = 0.0_pr & - w(r249f) & + w(r254f) & + w(r255f) & + w(r256f) & + w(r257f) & + w(r258f) cdot(sNC12H26) = 0.0_pr & - w(r239f) & - w(r240f) & - w(r259f) & - w(r260f) & - w(r261f) & - w(r262f) & - w(r263f) & - w(r264f) & - w(r265f) & - w(r266f) & - w(r267f) cdot(sNC10H20) = 0.0_pr & + 0.24_pr * w(r235f) & + 0.12_pr * w(r236f) & + 1.2_pr * w(r241f) & + 0.36_pr * w(r242f) & + 0.633333_pr * w(r243f) & + 0.106667_pr * w(r244f) & - w(r247f) & - w(r248f) & + w(r248b) & - w(r254f) & - w(r255f) & - w(r256f) & - w(r257f) & - w(r258f) cdot(sC4H8GL1G) = 0.0_pr & + w(r113f) & - w(r113b) & + w(r114f) & - w(r114b) & + w(r115f) & - w(r115b) & - w(r116f) & + w(r116b) & - w(r117f) & + w(r117b) & - w(r118f) & + w(r118b) & - w(r119f) & + w(r119b) & - w(r120f) & + w(r120b) & - w(r121f) & + w(r121b) & - w(r122f) & + w(r122b) & + w(r123f) & - w(r123b) & - w(r129f) & + w(r129b) & - w(r130f) & + w(r130b) & - w(r131f) & + w(r131b) & - w(r132f) & + w(r132b) & - w(r135f) & + w(r135b) & - w(r136f) & + w(r136b) & - w(r190f) & - w(r191f) & - w(r192f) & - w(r193f) & - w(r194f) & + 0.2_pr * w(r197f) & - w(r202f) & + w(r202b) & + w(r212f) & - w(r212b) & + 0.4_pr * w(r237f) & + 0.35_pr * w(r246f) & + 0.7_pr * w(r250f) cdot(sCH3OGL1G) = 0.0_pr & + 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(r51f) & - w(r51b) & - w(r52f) & + w(r52b) & - w(r123f) & + w(r123b) & + w(r147f) & + w(r159f) & + w(r167f) & + w(r204f) 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_HCCO real(pr) :: HCO_ct real(pr) :: HCO_num real(pr) :: HCO_denom real(pr) :: HCO_C2H3 real(pr) :: HCO_C2H real(pr) :: HCO_CH2CHO real(pr) :: HCO_HCCO real(pr) :: HCO_C3H5O real(pr) :: C2H3_ct real(pr) :: C2H3_num real(pr) :: C2H3_denom real(pr) :: C2H3_HCO real(pr) :: C2H3_CH2CHO real(pr) :: C2H3_C3H5XA real(pr) :: C2H3_C3H5O real(pr) :: C2H3_C4H71X3 real(pr) :: C2H3_C4H71X4 real(pr) :: C2H_ct real(pr) :: C2H_num real(pr) :: C2H_denom real(pr) :: C2H_HCO real(pr) :: C2H_HCCO real(pr) :: C2H_C5H5 real(pr) :: CH2CHO_ct real(pr) :: CH2CHO_num real(pr) :: CH2CHO_denom real(pr) :: CH2CHO_C2H3 real(pr) :: HCCO_ct real(pr) :: HCCO_num real(pr) :: HCCO_denom real(pr) :: HCCO_CH2GSG real(pr) :: HCCO_HCO real(pr) :: HCCO_C2H real(pr) :: C3H5XA_ct real(pr) :: C3H5XA_num real(pr) :: C3H5XA_denom real(pr) :: C3H5XA_C2H3 real(pr) :: C3H5XA_C3H5O real(pr) :: C3H5O_ct real(pr) :: C3H5O_num real(pr) :: C3H5O_denom real(pr) :: C3H5O_HCO real(pr) :: C3H5O_C2H3 real(pr) :: C3H5O_C3H5XA real(pr) :: PC4H9_ct real(pr) :: PC4H9_num real(pr) :: PC4H9_denom real(pr) :: PC4H9_NC7H15 real(pr) :: C4H71X3_ct real(pr) :: C4H71X3_num real(pr) :: C4H71X3_denom real(pr) :: C4H71X3_C2H3 real(pr) :: C4H71X3_C4H71X4 real(pr) :: C4H71X4_ct real(pr) :: C4H71X4_num real(pr) :: C4H71X4_denom real(pr) :: C4H71X4_C2H3 real(pr) :: C4H71X4_C4H71X3 real(pr) :: C5H5_ct real(pr) :: C5H5_num real(pr) :: C5H5_denom real(pr) :: NC5H11_ct real(pr) :: NC5H11_num real(pr) :: NC5H11_denom real(pr) :: NC5H11_NC7H15 real(pr) :: NC7H15_ct real(pr) :: NC7H15_num real(pr) :: NC7H15_denom real(pr) :: NC7H15_PC4H9 real(pr) :: NC7H15_NC5H11 real(pr) :: C7H7GL1G_ct real(pr) :: C7H7GL1G_num real(pr) :: C7H7GL1G_denom real(pr) :: C7H7GL1G_C2H3 real(pr) :: a_aj_a real(pr) :: a_al_a real(pr) :: a_ao_a real(pr) :: a_bf_a real(pr) :: a_bh_a real(pr) :: a_bk_a real(pr) :: a_bq_a real(pr) :: a_cr_a real(pr) :: a_dz_a real(pr) :: a_di_a real(pr) :: a_af_b real(pr) :: a_aq_b real(pr) :: a_av_b real(pr) :: a_bb_b real(pr) :: a_bx_b real(pr) :: a_ci_b real(pr) :: a_dj_b real(pr) :: a_dp_b real(pr) :: a_am_c real(pr) :: a_aq_c real(pr) :: a_bb_c real(pr) :: a_bt_c real(pr) :: a_bx_c real(pr) :: a_ci_c real(pr) :: a_dl_c real(pr) :: a_dp_c real(pr) :: a_bb_d real(pr) :: a_bh_d real(pr) :: a_bi_d real(pr) :: a_bj_d real(pr) :: a_bm_d real(pr) :: a_bs_d real(pr) :: a_bt_d real(pr) :: a_bu_d real(pr) :: a_bx_d real(pr) :: a_cf_d real(pr) :: a_ci_d real(pr) :: a_dz_d real(pr) :: a_dk_d real(pr) :: a_dl_d real(pr) :: a_dm_d real(pr) :: a_dp_d real(pr) :: a_bm_e real(pr) :: a_bx_e real(pr) :: a_ci_e real(pr) :: a_dp_e real(pr) :: a_bw_f real(pr) :: a_dd_f real(pr) :: a_do_f real(pr) :: a_ci_g real(pr) :: a_dp_g real(pr) :: a_dp_h real(pr) :: b_d_a real(pr) :: b_g_a real(pr) :: b_h_b real(pr) :: A_A_A real(pr) :: A_B_A real(pr) :: A_C_A real(pr) :: A_D_A real(pr) :: A_E_A real(pr) :: A_F_A real(pr) :: A_G_A real(pr) :: A_H_A real(pr) :: A_I_A real(pr) :: A_J_A real(pr) :: A_B_B real(pr) :: A_C_B real(pr) :: A_D_B real(pr) :: A_E_B real(pr) :: A_F_B real(pr) :: A_G_B real(pr) :: A_H_B real(pr) :: A_I_B real(pr) :: A_J_B real(pr) :: A_C_C real(pr) :: A_D_C real(pr) :: A_E_C real(pr) :: A_F_C real(pr) :: A_G_C real(pr) :: A_H_C real(pr) :: A_I_C real(pr) :: A_J_C real(pr) :: A_D_D real(pr) :: A_E_D real(pr) :: A_F_D real(pr) :: A_G_D real(pr) :: A_H_D real(pr) :: A_I_D real(pr) :: A_J_D real(pr) :: A_E_E real(pr) :: A_F_E real(pr) :: A_G_E real(pr) :: A_H_E real(pr) :: A_I_E real(pr) :: A_J_E real(pr) :: A_F_F real(pr) :: A_G_F real(pr) :: A_H_F real(pr) :: A_I_F real(pr) :: A_J_F real(pr) :: A_G_G real(pr) :: A_H_G real(pr) :: A_I_G real(pr) :: A_J_G real(pr) :: A_H_H real(pr) :: A_I_H real(pr) :: A_J_H real(pr) :: A_I_I real(pr) :: A_J_I real(pr) :: A_J_J real(pr) :: B_A_A real(pr) :: B_B_A real(pr) :: B_B_B C2H3_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r64f)* c(sH) & + k(r72f)* c(sO2) & + k(r73f)* c(sO2) & + k(r74f)* c(sO2) & + k(r75f)* c(sO2) & + k(r76f)* c(sO2) & + k(r77f)* c(sO2) & + k(r78f)* c(sO2) & + k(r79f)* c(sO2) & + k(r80f)* c(sH) & + k(r81f)* c(sOH) & + k(r91f)* c(sCH3) & + k(r92f)* c(sCH3) & + k(r93f)* c(sCH3) & + k(r164f)* c(sO) & + k(r181f)* c(sC4H6) & + k(r194f)* c(sC4H8GL1G) & + k(r225f)* c(sXYLENE) & + k(r231f)* c(sXYLENE) & + k(r261f)* c(sNC12H26) & + k(r269f)* c(sMCYC6) & + k(r66b)* c(sH2) & + k(r67b)* c(sH2O) & + k(r68b)* c(sCH4) & + k(r71b)& + k(r83b)* c(sCO) & + k(r109b)* c(sCH2O) & + k(r125b)* c(sC2H4) & + k(r137b)* c(sC2H4) & + k(r203b)* c(sC2H4) ) C2H3_num = ( 0.0_pr & + k(r66f)* c(sC2H4) * c(sH) & + k(r67f)* c(sC2H4) * c(sOH) & + k(r68f)* c(sC2H4) * c(sCH3) & + k(r71f)* c(sC2H2) * c(sH) & + k(r137f)* c(sC4H6) * c(sH) & + k(r170f)* c(sC2H3CHO) * c(sOH) & + k(r184f)* c(sC2H4) * c(sO) & + k(r185f)* c(sC2H4) * c(sHO2) & + k(r186f)* c(sC2H3CHO) * c(sH) & + k(r187f)* c(sC2H3CHO) * c(sCH3) & + k(r188f)* c(sC2H3CHO) * c(sO) & + k(r189f)* c(sC2H3CHO) * c(sHO2) & + k(r64b)* c(sC2H4) & + k(r74b)* c(sC2H2) * c(sHO2) & + k(r75b)* c(sC2H2) * c(sHO2) & + k(r80b)* c(sC2H2) * c(sH2) & + k(r81b)* c(sC2H2) * c(sH2O) & + k(r91b)* c(sC3H6) ) C2H3_ct = C2H3_num / C2H3_denom C2H3_HCO = - ( 0.0_pr & + k(r83f) * c(sC2H2) & + k(r76b) * c(sCH2O) & + k(r77b) * c(sCH2O) ) / C2H3_denom C2H3_CH2CHO = - ( 0.0_pr & + k(r72b) * c(sO) & + k(r73b) * c(sO) ) / C2H3_denom C2H3_C3H5XA = - ( 0.0_pr & + k(r165f) * c(sO) & + k(r92b) * c(sH) & + k(r93b) * c(sH) ) / C2H3_denom C2H3_C3H5O = - ( 0.0_pr & + k(r109f) ) / C2H3_denom C2H3_C4H71X3 = - ( 0.0_pr & + k(r203f) ) / C2H3_denom C2H3_C4H71X4 = - ( 0.0_pr & + k(r125f) & + k(r215f) * c(sO2) ) / C2H3_denom CH2GSG_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r28f)* c(sO2) & + k(r29f)* c(sO2) & + k(r30f)* c(sH2) & + k(r149f)* c(sCH4) & + k(r33b)* c(sH2O) & + k(r88b)* c(sCO) ) CH2GSG_num = ( 0.0_pr & + k(r33f)* c(sCH3) * c(sOH) & + k(r29b)* c(sCO) * c(sH2O) & + k(r30b)* c(sCH3) * c(sH) & + k(r149b) *c(sCH3)** 2.0_pr ) CH2GSG_ct = CH2GSG_num / CH2GSG_denom CH2GSG_HCCO = - ( 0.0_pr & + k(r88f) * c(sH) ) / CH2GSG_denom C5H5_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r171f)* c(sH) & + k(r175f)* c(sHO2) & + k(r176f)* c(sOH) & + k(r177f)* c(sOH) & + k(r216b)* c(sCO2) ) C5H5_num = ( 0.0_pr & + k(r178f)* c(sC5H6) * c(sH) & + k(r179f)* c(sC5H6) * c(sCH3) & + k(r180f)* c(sC5H6) * c(sOH) & + k(r195f)* c(sC5H6) * c(sO) & + k(r196f)* c(sC5H6) * c(sHO2) & + k(r216f)* c(sC6H5) * c(sO2) & + k(r171b)* c(sC5H6) ) C5H5_ct = C5H5_num / C5H5_denom CH2CHO_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r86f)& + k(r163f)* c(sO2) & + k(r166f)* c(sO) & + k(r167f)* c(sOH) & + k(r70b)* c(sH) & + k(r72b)* c(sO) & + k(r73b)* c(sO) ) CH2CHO_num = ( 0.0_pr & + k(r70f)* c(sC2H4) * c(sO) & + k(r168f)* c(sC2H2) * c(sOH) & + k(r86b)* c(sCH3) * c(sCO) ) CH2CHO_ct = CH2CHO_num / CH2CHO_denom CH2CHO_C2H3 = - ( 0.0_pr & + k(r72f) * c(sO2) & + k(r73f) * c(sO2) & + k(r164f) * c(sO) ) / CH2CHO_denom C3H5O_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r109f)& + k(r110f)& + k(r111f)& + k(r108b)* c(sOH) ) C3H5O_num = ( 0.0_pr & + k(r110b)* c(sC2H3CHO) * c(sH) ) C3H5O_ct = C3H5O_num / C3H5O_denom C3H5O_HCO = - ( 0.0_pr & + k(r111b) * c(sC2H4) ) / C3H5O_denom C3H5O_C2H3 = - ( 0.0_pr & + k(r109b) * c(sCH2O) ) / C3H5O_denom C3H5O_C3H5XA = - ( 0.0_pr & + k(r108f) * c(sHO2) ) / C3H5O_denom HCCO_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r87f)* c(sOH) & + k(r88f)* c(sH) & + k(r89f)* c(sO2) & + k(r140f)* c(sO2) & + k(r82b)* c(sH) & + k(r141b)* c(sO) ) HCCO_num = ( 0.0_pr & + k(r82f)* c(sC2H2) * c(sO) ) HCCO_ct = HCCO_num / HCCO_denom HCCO_CH2GSG = - ( 0.0_pr & + k(r88b) * c(sCO) ) / HCCO_denom HCCO_HCO = - ( 0.0_pr & + k(r140b) * c(sCO2) ) / HCCO_denom HCCO_C2H = - ( 0.0_pr & + k(r141f) * c(sO2) ) / HCCO_denom C4H71X4_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r125f)& + k(r126f)& + k(r162f)* c(sO2) & + k(r215f)* c(sO2) & + k(r117b)* c(sH2O) & + k(r119b)* c(sH2O2) & + k(r121b)* c(sOH) & + k(r127b) ) C4H71X4_num = ( 0.0_pr & + k(r117f)* c(sC4H8GL1G) * c(sOH) & + k(r119f)* c(sC4H8GL1G) * c(sHO2) & + k(r121f)* c(sC4H8GL1G) * c(sO) & + k(r152f)* c(sC2H2) * c(sC2H5) & + k(r192f)* c(sC4H8GL1G) * c(sH) & + k(r193f)* c(sC4H8GL1G) * c(sCH3) & +0.5_pr * k(r252f)* c(sRMCYC6) & + k(r126b)* c(sC4H6) * c(sH) ) C4H71X4_ct = C4H71X4_num / C4H71X4_denom C4H71X4_C2H3 = - ( 0.0_pr & + k(r194f) * c(sC4H8GL1G) & + k(r125b) * c(sC2H4) ) / C4H71X4_denom C4H71X4_C4H71X3 = - ( 0.0_pr & + k(r127f) ) / C4H71X4_denom HCO_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r45f)* m(mM45) & + k(r46f)* c(sO2) & + k(r47f)* c(sH) & + k(r48f)* c(sOH) & + k(r49f)* c(sCH3) & + k(r50f)* c(sHO2) & + k(r83f)* c(sC2H2) & + k(r143f)* c(sC2H4) & + k(r40b)* c(sOH) & + k(r41b)* c(sH2) & + k(r42b)* c(sH2O) & + k(r43b)* c(sH2O2) & + k(r44b)* c(sCH4) & + k(r69b)* c(sCH3) & + k(r76b)* c(sCH2O) & + k(r77b)* c(sCH2O) & + k(r84b)* c(sCO) & + k(r102b)* c(sC2H5) & + k(r111b)* c(sC2H4) & + k(r135b)* c(sNC3H7) & + k(r140b)* c(sCO2) ) HCO_num = ( 0.0_pr & + k(r40f)* c(sCH2O) * c(sO) & + k(r41f)* c(sCH2O) * c(sH) & + k(r42f)* c(sCH2O) * c(sOH) & + k(r43f)* c(sCH2O) * c(sHO2) & + k(r44f)* c(sCH2O) * c(sCH3) & + k(r69f)* c(sC2H4) * c(sO) & + k(r102f)* c(sC3H6) * c(sO) & + k(r135f)* c(sC4H8GL1G) * c(sO) & + k(r145f)* c(sC2H3CHO) * c(sH) & + k(r158f)* c(sC2H2) * c(sHO2) & + k(r159f)* c(sC2H4) * c(sO2) & + k(r169f)* c(sC4H6) * c(sO2) & + k(r172f)* c(sC5H6) * c(sOH) & + k(r173f)* c(sC5H6) * c(sOH) & + k(r219f)* c(sHO2) * c(sRCRESOLO) & + k(r45b)* c(sCO) * c(sH) * m(mM45) & + k(r46b)* c(sCO) * c(sHO2) & + k(r47b)* c(sCO) * c(sH2) & + k(r48b)* c(sCO) * c(sH2O) & + k(r49b)* c(sCH4) * c(sCO) ) HCO_ct = HCO_num / HCO_denom HCO_C2H3 = - ( 0.0_pr & + k(r76f) * c(sO2) & + k(r77f) * c(sO2) & + k(r83b) * c(sCO) ) / HCO_denom HCO_C2H = - ( 0.0_pr & + k(r84f) * c(sO2) ) / HCO_denom HCO_CH2CHO = - ( 0.0_pr & + k(r166f) * c(sO) & + k(r167f) * c(sOH) ) / HCO_denom HCO_HCCO = - ( 0.0_pr & + k(r140f) * c(sO2) ) / HCO_denom HCO_C3H5O = - ( 0.0_pr & + k(r111f) ) / HCO_denom C3H5XA_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r107f)* c(sC2H5) & + k(r108f)* c(sHO2) & + k(r114f)* c(sCH3) & + k(r165f)* c(sO) & + k(r182f)* c(sH) & + k(r205f)* c(sC3H6) & + k(r263f)* c(sNC12H26) & + k(r271f)* c(sMCYC6) & + k(r92b)* c(sH) & + k(r93b)* c(sH) & + k(r94b)* c(sH) & + k(r95b)* c(sH) & + k(r96b)* c(sH2) & + k(r97b)* c(sHO2) & + k(r98b)* c(sOH) & + k(r99b)* c(sH2O) & + k(r100b)* c(sH2O2) & + k(r101b)* c(sCH4) & + k(r139b)* c(sCH2O) & + k(r198b)* c(sC2H5) ) C3H5XA_num = ( 0.0_pr & + k(r94f)* c(sC3H6) & + k(r95f)* c(sC3H6) & + k(r96f)* c(sC3H6) * c(sH) & + k(r97f)* c(sC3H6) * c(sO2) & + k(r98f)* c(sC3H6) * c(sO) & + k(r99f)* c(sC3H6) * c(sOH) & + k(r100f)* c(sC3H6) * c(sHO2) & + k(r101f)* c(sC3H6) * c(sCH3) & + k(r139f)* c(sC4H6) * c(sOH) & + k(r151f)* c(sC4H6) * c(sCH3) & + k(r198f)* c(sNC5H10) & +0.5_pr * k(r247f)* c(sNC10H20) & +0.5_pr * k(r249f)* c(sNC10H19) & + k(r107b)* c(sC2H4) * c(sC3H6) & + k(r114b)* c(sC4H8GL1G) & + k(r182b)* c(sC3H6) & + k(r205b)* c(sCYC6H10) * c(sH) ) C3H5XA_ct = C3H5XA_num / C3H5XA_denom C3H5XA_C2H3 = - ( 0.0_pr & + k(r92f) * c(sCH3) & + k(r93f) * c(sCH3) ) / C3H5XA_denom C3H5XA_C3H5O = - ( 0.0_pr & + k(r108b) * c(sOH) ) / C3H5XA_denom C4H71X3_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r115f)* c(sH) & + k(r123f)* c(sCH3OGL1G) & + k(r124f)& + k(r127f)& + k(r128f)* c(sO) & + k(r161f)* c(sO2) & + k(r203f)& + k(r204f)* c(sO2) & + k(r116b)* c(sH2O) & + k(r118b)* c(sH2O2) & + k(r120b)* c(sOH) & + k(r122b)* c(sHO2) & + k(r199b)* c(sCH3) ) C4H71X3_num = ( 0.0_pr & + k(r116f)* c(sC4H8GL1G) * c(sOH) & + k(r118f)* c(sC4H8GL1G) * c(sHO2) & + k(r120f)* c(sC4H8GL1G) * c(sO) & + k(r122f)* c(sC4H8GL1G) * c(sO2) & + k(r190f)* c(sC4H8GL1G) * c(sH) & + k(r191f)* c(sC4H8GL1G) * c(sCH3) & + k(r199f)* c(sNC5H10) & +0.5_pr * k(r208f)* c(sNC7H14) & +0.5_pr * k(r247f)* c(sNC10H20) & +0.5_pr * k(r249f)* c(sNC10H19) & + k(r115b)* c(sC4H8GL1G) & + k(r123b)* c(sC4H8GL1G) * c(sCH2O) & + k(r124b)* c(sC4H6) * c(sH) & + k(r128b)* c(sC2H3CHO) * c(sCH3) ) C4H71X3_ct = C4H71X3_num / C4H71X3_denom C4H71X3_C2H3 = - ( 0.0_pr & + k(r203b) * c(sC2H4) ) / C4H71X3_denom C4H71X3_C4H71X4 = - ( 0.0_pr & + k(r127b) ) / C4H71X3_denom C2H_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r84f)* c(sO2) & + k(r85f)* c(sH2) & + k(r141f)* c(sO2) ) C2H_num = ( 0.0_pr & + k(r183f)* c(sC2H2) * c(sO) & + k(r85b)* c(sC2H2) * c(sH) ) C2H_ct = C2H_num / C2H_denom C2H_HCO = - ( 0.0_pr & + k(r84b) * c(sCO) ) / C2H_denom C2H_HCCO = - ( 0.0_pr & + k(r141b) * c(sO) ) / C2H_denom C2H_C5H5 = - ( 0.0_pr & + k(r175f) * c(sHO2) ) / C2H_denom a_aj_a = (1.0_pr) - (C2H_HCO) * (HCO_C2H) a_al_a = (HCO_HCCO) - (C2H_HCCO) * (HCO_C2H) a_ao_a = - (C2H_C5H5) * (HCO_C2H) a_bf_a = (HCCO_HCO) - (C2H_HCO) * (HCCO_C2H) a_bh_a = (1.0_pr) - (C2H_HCCO) * (HCCO_C2H) a_bk_a = - (C2H_C5H5) * (HCCO_C2H) a_bq_a = C3H5O_HCO a_cr_a = 1.0_pr a_dz_a = CH2GSG_HCCO a_di_a = C2H3_HCO a_af_b = C3H5XA_C2H3 a_aq_b = HCO_C2H3 a_av_b = (1.0_pr) - (C4H71X3_C4H71X4) * (C4H71X4_C4H71X3) a_bb_b = (C4H71X4_C2H3) - (C4H71X3_C2H3) * (C4H71X4_C4H71X3) a_bx_b = C3H5O_C2H3 a_ci_b = CH2CHO_C2H3 a_dj_b = (C2H3_C4H71X4) - (C4H71X3_C4H71X4) * (C2H3_C4H71X3) a_dp_b = (1.0_pr) - (C4H71X3_C2H3) * (C2H3_C4H71X3) a_am_c = HCO_C3H5O a_aq_c = a_aq_b a_bb_c = a_bb_b a_bt_c = (1.0_pr) - (C3H5XA_C3H5O) * (C3H5O_C3H5XA) a_bx_c = (a_bx_b) - (a_af_b) * (C3H5O_C3H5XA) a_ci_c = a_ci_b a_dl_c = (C2H3_C3H5O) - (C3H5XA_C3H5O) * (C2H3_C3H5XA) a_dp_c = (a_dp_b) - (a_af_b) * (C2H3_C3H5XA) a_bb_d = a_bb_c a_bh_d = (a_bh_a) - (a_al_a) * (a_bf_a) / (a_aj_a) a_bi_d = - (a_am_c) * (a_bf_a) / (a_aj_a) a_bj_d = - (HCO_CH2CHO) * (a_bf_a) / (a_aj_a) a_bm_d = - (a_aq_c) * (a_bf_a) / (a_aj_a) a_bs_d = - (a_al_a) * (a_bq_a) / (a_aj_a) a_bt_d = (a_bt_c) - (a_am_c) * (a_bq_a) / (a_aj_a) a_bu_d = - (HCO_CH2CHO) * (a_bq_a) / (a_aj_a) a_bx_d = (a_bx_c) - (a_aq_c) * (a_bq_a) / (a_aj_a) a_cf_d = 1.0_pr a_ci_d = a_ci_c a_dz_d = a_dz_a a_dk_d = - (a_al_a) * (a_di_a) / (a_aj_a) a_dl_d = (a_dl_c) - (a_am_c) * (a_di_a) / (a_aj_a) a_dm_d = (C2H3_CH2CHO) - (HCO_CH2CHO) * (a_di_a) / (a_aj_a) a_dp_d = (a_dp_c) - (a_aq_c) * (a_di_a) / (a_aj_a) a_bm_e = a_bm_d a_bx_e = a_bx_d a_ci_e = a_ci_d a_dp_e = (a_dp_d) - (a_bb_d) * (a_dj_b) / (a_av_b) a_bw_f = - (HCCO_CH2GSG) * (a_bs_d) / (a_bh_d) a_dd_f = (1.0_pr) - (HCCO_CH2GSG) * (a_dz_d) / (a_bh_d) a_do_f = - (HCCO_CH2GSG) * (a_dk_d) / (a_bh_d) a_ci_g = a_ci_e a_dp_g = (a_dp_e) - (a_bx_e) * (a_dl_d) / (a_bt_d) a_dp_h = (a_dp_g) - (a_ci_g) * (a_dm_d) / (a_cf_d) A_A_A = C4H71X3_ct A_B_A = C3H5XA_ct A_C_A = (HCO_ct) - (C2H_ct) * (HCO_C2H) A_D_A = C4H71X4_ct A_E_A = (HCCO_ct) - (C2H_ct) * (HCCO_C2H) A_F_A = C3H5O_ct A_G_A = CH2CHO_ct A_H_A = C5H5_ct A_I_A = CH2GSG_ct A_J_A = C2H3_ct A_B_B = A_B_A A_C_B = A_C_A A_D_B = (A_D_A) - (A_A_A) * (C4H71X4_C4H71X3) A_E_B = A_E_A A_F_B = A_F_A A_G_B = A_G_A A_H_B = A_H_A A_I_B = A_I_A A_J_B = (A_J_A) - (A_A_A) * (C2H3_C4H71X3) A_C_C = A_C_B A_D_C = A_D_B A_E_C = A_E_B A_F_C = (A_F_B) - (A_B_B) * (C3H5O_C3H5XA) A_G_C = A_G_B A_H_C = A_H_B A_I_C = A_I_B A_J_C = (A_J_B) - (A_B_B) * (C2H3_C3H5XA) A_D_D = A_D_C A_E_D = (A_E_C) - (A_C_C) * (a_bf_a) / (a_aj_a) A_F_D = (A_F_C) - (A_C_C) * (a_bq_a) / (a_aj_a) A_G_D = A_G_C A_H_D = A_H_C A_I_D = A_I_C A_J_D = (A_J_C) - (A_C_C) * (a_di_a) / (a_aj_a) A_E_E = A_E_D A_F_E = A_F_D A_G_E = A_G_D A_H_E = A_H_D A_I_E = A_I_D A_J_E = (A_J_D) - (A_D_D) * (a_dj_b) / (a_av_b) A_F_F = (A_F_E) - (A_E_E) * (a_bs_d) / (a_bh_d) A_G_F = A_G_E A_H_F = A_H_E A_I_F = (A_I_E) - (A_E_E) * (a_dz_d) / (a_bh_d) A_J_F = (A_J_E) - (A_E_E) * (a_dk_d) / (a_bh_d) A_G_G = A_G_F A_H_G = A_H_F A_I_G = A_I_F A_J_G = (A_J_F) - (A_F_F) * (a_dl_d) / (a_bt_d) A_H_H = A_H_G A_I_H = A_I_G A_J_H = (A_J_G) - (A_G_G) * (a_dm_d) / (a_cf_d) A_I_I = A_I_H A_J_I = A_J_H A_J_J = (A_J_I) - (A_I_I) * (a_do_f) / (a_dd_f) cqss(sqssC2H3) = ( A_J_J ) / ( a_dp_h ) cqss(sqssCH2GSG) = A_I_I / a_dd_f cqss(sqssC5H5) = A_H_H / a_cr_a cqss(sqssCH2CHO) = (A_G_G - (a_ci_g) * cqss(sqssC2H3)) / (a_cf_d) cqss(sqssC3H5O) = (A_F_F - (a_bx_e) * cqss(sqssC2H3) - (a_bw_f) & * cqss(sqssCH2GSG) - (a_bu_d) * cqss(sqssCH2CHO)) & / (a_bt_d) cqss(sqssHCCO) = (A_E_E - (a_bm_e) * cqss(sqssC2H3) - (HCCO_CH2GSG) & * cqss(sqssCH2GSG) - (a_bk_a) * cqss(sqssC5H5) & - (a_bj_d) * cqss(sqssCH2CHO) - (a_bi_d) * cqss(sqssC3H5O)) & / (a_bh_d) cqss(sqssC4H71X4) = (A_D_D - (a_bb_d) * cqss(sqssC2H3)) / (a_av_b) cqss(sqssHCO) = (A_C_C - (a_aq_c) * cqss(sqssC2H3) - (a_ao_a) & * cqss(sqssC5H5) - (HCO_CH2CHO) * cqss(sqssCH2CHO) & - (a_am_c) * cqss(sqssC3H5O) - (a_al_a) * cqss(sqssHCCO)) & / (a_aj_a) cqss(sqssC3H5XA) = A_B_B - (a_af_b) * cqss(sqssC2H3) - (C3H5XA_C3H5O) & * cqss(sqssC3H5O) cqss(sqssC4H71X3) = A_A_A - (C4H71X3_C2H3) * cqss(sqssC2H3) - (C4H71X3_C4H71X4) & * cqss(sqssC4H71X4) cqss(sqssC2H) = C2H_ct - (C2H_C5H5) * cqss(sqssC5H5) - (C2H_HCCO) & * cqss(sqssHCCO) - (C2H_HCO) * cqss(sqssHCO) NC5H11_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r197f)& + k(r201f)* c(sO2) & + k(r200b)& + k(r210b)* c(sC2H4) ) NC5H11_num = ( 0.0_pr & + k(r200f)* c(sH) * c(sNC5H10) & +0.4_pr * k(r237f)* c(sNC10H21) & +0.25_pr * k(r238f)* c(sNC10H21) & +0.5_pr * k(r240f)* c(sNC12H26) & +0.5_pr * k(r244f)* c(sNC12H25) & +0.25_pr * k(r245f)* c(sNC12H25) & +0.25_pr * k(r247f)* c(sNC10H20) ) NC5H11_ct = NC5H11_num / NC5H11_denom NC5H11_NC7H15 = - ( 0.0_pr & + k(r210f) ) / NC5H11_denom NC7H15_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r210f)& + k(r211f)& + k(r212f)& + k(r213f)& + k(r214f)* c(sO2) & + k(r209b) ) NC7H15_num = ( 0.0_pr & + k(r209f)* c(sH) * c(sNC7H14) & +0.4_pr * k(r235f)* c(sNC10H21) & +0.75_pr * k(r238f)* c(sNC10H21) & +0.5_pr * k(r239f)* c(sNC12H26) & +0.9_pr * k(r240f)* c(sNC12H26) & +0.75_pr * k(r245f)* c(sNC12H25) & +0.5_pr * k(r246f)* c(sNC12H25) & +0.75_pr * k(r247f)* c(sNC10H20) & + k(r212b)* c(sC4H8GL1G) * c(sNC3H7) & + k(r213b)* c(sC2H5) * c(sNC5H10) ) NC7H15_ct = NC7H15_num / NC7H15_denom NC7H15_PC4H9 = - ( 0.0_pr & + k(r211b) * c(sC3H6) ) / NC7H15_denom NC7H15_NC5H11 = - ( 0.0_pr & + k(r210b) * c(sC2H4) ) / NC7H15_denom PC4H9_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r113f)* c(sO2) & + k(r133f)& + k(r134f)& + k(r131b)& + k(r132b)& + k(r211b)* c(sC3H6) ) PC4H9_num = ( 0.0_pr & + k(r131f)* c(sC4H8GL1G) * c(sH) & + k(r132f)* c(sC4H8GL1G) * c(sH) & +0.6_pr * k(r237f)* c(sNC10H21) & +0.5_pr * k(r240f)* c(sNC12H26) & +0.5_pr * k(r244f)* c(sNC12H25) & + k(r113b)* c(sC4H8GL1G) * c(sHO2) & + k(r133b)* c(sC2H4) * c(sC2H5) & + k(r134b)* c(sC3H6) * c(sCH3) ) PC4H9_ct = PC4H9_num / PC4H9_denom PC4H9_NC7H15 = - ( 0.0_pr & + k(r211f) ) / PC4H9_denom b_d_a = (1.0_pr) - (PC4H9_NC7H15) * (NC7H15_PC4H9) b_g_a = NC5H11_NC7H15 b_h_b = (1.0_pr) - (NC7H15_NC5H11) * (b_g_a) / (b_d_a) B_A_A = (NC7H15_ct) - (PC4H9_ct) * (NC7H15_PC4H9) B_B_A = NC5H11_ct B_B_B = (B_B_A) - (B_A_A) * (b_g_a) / (b_d_a) cqss(sqssNC5H11) = ( B_B_B ) / ( b_h_b ) cqss(sqssNC7H15) = (B_A_A - (NC7H15_NC5H11) * cqss(sqssNC5H11)) & / (b_d_a) cqss(sqssPC4H9) = PC4H9_ct - (PC4H9_NC7H15) * cqss(sqssNC7H15) C7H7GL1G_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r217f)* c(sH) & + k(r218f)* c(sO2) ) C7H7GL1G_num = ( 0.0_pr & + k(r220f)* c(sHO2) * c(sRXYLENE) & + k(r221f)* c(sO) * c(sRXYLENE) & + k(r229f)* c(sH) * c(sXYLENE) & + k(r230f)* c(sCH3) * c(sXYLENE) & + k(r231f)* cqss(sqssC2H3) * c(sXYLENE) & + k(r232f)* c(sO) * c(sXYLENE) & + k(r233f)* c(sOH) * c(sXYLENE) & + k(r217b)* c(sC6H5) * c(sCH3) & + k(r218b)* c(sO) * c(sRCRESOLO) ) C7H7GL1G_ct = C7H7GL1G_num / C7H7GL1G_denom cqss(sqssC7H7GL1G) = C7H7GL1G_ct cqss = max(cqss, tiny(1.0_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 !do k = 1, nspec ! if (c(k)<1.0e-20_pr) c(k) = 0.0_pr !end do 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