!-------------------------------------------------------------------------------------------------- ! Copyright (c) CERFACS (all rights reserved) !-------------------------------------------------------------------------------------------------- ! FILE /Users/cazeres/Programs/Work/Reduction/ARCANE_Database/database/S24R413QSS12_0/S24R413QSS12_0.f90 !> @file /Users/cazeres/Programs/Work/Reduction/ARCANE_Database/database/S24R413QSS12_0/S24R413QSS12_0.f90 !! Module for calculating the analytical source terms in Cantera !! @details !! @authors Quentin Cazeres !! @date 2020/08/31 !! @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 = 24 integer, parameter :: nqss = 12 integer, parameter :: nreac = 413 integer, parameter :: nreac_reverse = 92 ! Actual expression of each reaction character(len=65), dimension(nreac + nreac_reverse) :: reacexp ! Number of thirdbodies integer, parameter :: nTB = 2 integer, parameter :: nFO = 18 integer, parameter :: nTB_reverse = 2 integer, parameter :: nFO_reverse = 18 ! 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 :: sH2O = 3 integer, parameter :: sCH2O = 4 integer, parameter :: sCH4 = 5 integer, parameter :: sC2H2 = 6 integer, parameter :: sC2H4 = 7 integer, parameter :: sCH3CHO = 8 integer, parameter :: sC2H6 = 9 integer, parameter :: sPC3H4 = 10 integer, parameter :: sAC3H4 = 11 integer, parameter :: sC3H6 = 12 integer, parameter :: sC3H8 = 13 integer, parameter :: sC4H4 = 14 integer, parameter :: sC4H6 = 15 integer, parameter :: sIC4H8 = 16 integer, parameter :: sNC4H8 = 17 integer, parameter :: sNC4H10 = 18 integer, parameter :: sH = 19 integer, parameter :: sCH3 = 20 integer, parameter :: sC2H5 = 21 integer, parameter :: sC3H3 = 22 integer, parameter :: sCH2CHCH2 = 23 integer, parameter :: sSC4H7 = 24 integer, parameter :: sqssOH = 1 integer, parameter :: sqssC2H3 = 2 integer, parameter :: sqssCH2CHO = 3 integer, parameter :: sqssNC3H7 = 4 integer, parameter :: sqssIC3H7 = 5 integer, parameter :: sqssC4H5 = 6 integer, parameter :: sqssCH2C3H5 = 7 integer, parameter :: sqssIC4H7 = 8 integer, parameter :: sqssIC4H9P = 9 integer, parameter :: sqssNC4H9S = 10 integer, parameter :: sqssNC4H9P = 11 integer, parameter :: sqssC3H5GL1G = 12 ! Index of reactions integer, parameter :: r1f = 1 integer, parameter :: r2f = 2 integer, parameter :: r3f = 3 integer, parameter :: r4f = 4 integer, parameter :: r5f = 5 integer, parameter :: r6f = 6 integer, parameter :: r7f = 7 integer, parameter :: r8f = 8 integer, parameter :: r9f = 9 integer, parameter :: r10f = 10 integer, parameter :: r11f = 11 integer, parameter :: r12f = 12 integer, parameter :: r13f = 13 integer, parameter :: r14f = 14 integer, parameter :: r15f = 15 integer, parameter :: r16f = 16 integer, parameter :: r17f = 17 integer, parameter :: r18f = 18 integer, parameter :: r19f = 19 integer, parameter :: r20f = 20 integer, parameter :: r21f = 21 integer, parameter :: r22f = 22 integer, parameter :: r23f = 23 integer, parameter :: r24f = 24 integer, parameter :: r25f = 25 integer, parameter :: r26f = 26 integer, parameter :: r27f = 27 integer, parameter :: r28f = 28 integer, parameter :: r29f = 29 integer, parameter :: r30f = 30 integer, parameter :: r31f = 31 integer, parameter :: r32f = 32 integer, parameter :: r33f = 33 integer, parameter :: r34f = 34 integer, parameter :: r35f = 35 integer, parameter :: r36f = 36 integer, parameter :: r37f = 37 integer, parameter :: r38f = 38 integer, parameter :: r39f = 39 integer, parameter :: r40f = 40 integer, parameter :: r41f = 41 integer, parameter :: r42f = 42 integer, parameter :: r43f = 43 integer, parameter :: r44f = 44 integer, parameter :: r45f = 45 integer, parameter :: r46f = 46 integer, parameter :: r47f = 47 integer, parameter :: r48f = 48 integer, parameter :: r49f = 49 integer, parameter :: r50f = 50 integer, parameter :: r51f = 51 integer, parameter :: r52f = 52 integer, parameter :: r53f = 53 integer, parameter :: r54f = 54 integer, parameter :: r55f = 55 integer, parameter :: r56f = 56 integer, parameter :: r57f = 57 integer, parameter :: r58f = 58 integer, parameter :: r59f = 59 integer, parameter :: r60f = 60 integer, parameter :: r61f = 61 integer, parameter :: r62f = 62 integer, parameter :: r63f = 63 integer, parameter :: r64f = 64 integer, parameter :: r65f = 65 integer, parameter :: r66f = 66 integer, parameter :: r67f = 67 integer, parameter :: r68f = 68 integer, parameter :: r69f = 69 integer, parameter :: r70f = 70 integer, parameter :: r71f = 71 integer, parameter :: r72f = 72 integer, parameter :: r73f = 73 integer, parameter :: r74f = 74 integer, parameter :: r75f = 75 integer, parameter :: r76f = 76 integer, parameter :: r77f = 77 integer, parameter :: r78f = 78 integer, parameter :: r79f = 79 integer, parameter :: r80f = 80 integer, parameter :: r81f = 81 integer, parameter :: r82f = 82 integer, parameter :: r83f = 83 integer, parameter :: r84f = 84 integer, parameter :: r85f = 85 integer, parameter :: r86f = 86 integer, parameter :: r87f = 87 integer, parameter :: r88f = 88 integer, parameter :: r89f = 89 integer, parameter :: r90f = 90 integer, parameter :: r91f = 91 integer, parameter :: r92f = 92 integer, parameter :: r93f = 93 integer, parameter :: r94f = 94 integer, parameter :: r95f = 95 integer, parameter :: r96f = 96 integer, parameter :: r97f = 97 integer, parameter :: r98f = 98 integer, parameter :: r99f = 99 integer, parameter :: r100f = 100 integer, parameter :: r101f = 101 integer, parameter :: r102f = 102 integer, parameter :: r103f = 103 integer, parameter :: r104f = 104 integer, parameter :: r105f = 105 integer, parameter :: r106f = 106 integer, parameter :: r107f = 107 integer, parameter :: r108f = 108 integer, parameter :: r109f = 109 integer, parameter :: r110f = 110 integer, parameter :: r111f = 111 integer, parameter :: r112f = 112 integer, parameter :: r113f = 113 integer, parameter :: r114f = 114 integer, parameter :: r115f = 115 integer, parameter :: r116f = 116 integer, parameter :: r117f = 117 integer, parameter :: r118f = 118 integer, parameter :: r119f = 119 integer, parameter :: r120f = 120 integer, parameter :: r121f = 121 integer, parameter :: r122f = 122 integer, parameter :: r123f = 123 integer, parameter :: r124f = 124 integer, parameter :: r125f = 125 integer, parameter :: r126f = 126 integer, parameter :: r127f = 127 integer, parameter :: r128f = 128 integer, parameter :: r129f = 129 integer, parameter :: r130f = 130 integer, parameter :: r131f = 131 integer, parameter :: r132f = 132 integer, parameter :: r133f = 133 integer, parameter :: r134f = 134 integer, parameter :: r135f = 135 integer, parameter :: r136f = 136 integer, parameter :: r137f = 137 integer, parameter :: r138f = 138 integer, parameter :: r139f = 139 integer, parameter :: r140f = 140 integer, parameter :: r141f = 141 integer, parameter :: r142f = 142 integer, parameter :: r143f = 143 integer, parameter :: r144f = 144 integer, parameter :: r145f = 145 integer, parameter :: r146f = 146 integer, parameter :: r147f = 147 integer, parameter :: r148f = 148 integer, parameter :: r149f = 149 integer, parameter :: r150f = 150 integer, parameter :: r151f = 151 integer, parameter :: r152f = 152 integer, parameter :: r153f = 153 integer, parameter :: r154f = 154 integer, parameter :: r155f = 155 integer, parameter :: r156f = 156 integer, parameter :: r157f = 157 integer, parameter :: r158f = 158 integer, parameter :: r159f = 159 integer, parameter :: r160f = 160 integer, parameter :: r161f = 161 integer, parameter :: r162f = 162 integer, parameter :: r163f = 163 integer, parameter :: r164f = 164 integer, parameter :: r165f = 165 integer, parameter :: r166f = 166 integer, parameter :: r167f = 167 integer, parameter :: r168f = 168 integer, parameter :: r169f = 169 integer, parameter :: r170f = 170 integer, parameter :: r171f = 171 integer, parameter :: r172f = 172 integer, parameter :: r173f = 173 integer, parameter :: r174f = 174 integer, parameter :: r175f = 175 integer, parameter :: r176f = 176 integer, parameter :: r177f = 177 integer, parameter :: r178f = 178 integer, parameter :: r179f = 179 integer, parameter :: r180f = 180 integer, parameter :: r181f = 181 integer, parameter :: r182f = 182 integer, parameter :: r183f = 183 integer, parameter :: r184f = 184 integer, parameter :: r185f = 185 integer, parameter :: r186f = 186 integer, parameter :: r187f = 187 integer, parameter :: r188f = 188 integer, parameter :: r189f = 189 integer, parameter :: r190f = 190 integer, parameter :: r191f = 191 integer, parameter :: r192f = 192 integer, parameter :: r193f = 193 integer, parameter :: r194f = 194 integer, parameter :: r195f = 195 integer, parameter :: r196f = 196 integer, parameter :: r197f = 197 integer, parameter :: r198f = 198 integer, parameter :: r199f = 199 integer, parameter :: r200f = 200 integer, parameter :: r201f = 201 integer, parameter :: r202f = 202 integer, parameter :: r203f = 203 integer, parameter :: r204f = 204 integer, parameter :: r205f = 205 integer, parameter :: r206f = 206 integer, parameter :: r207f = 207 integer, parameter :: r208f = 208 integer, parameter :: r209f = 209 integer, parameter :: r210f = 210 integer, parameter :: r211f = 211 integer, parameter :: r212f = 212 integer, parameter :: r213f = 213 integer, parameter :: r214f = 214 integer, parameter :: r215f = 215 integer, parameter :: r216f = 216 integer, parameter :: r217f = 217 integer, parameter :: r218f = 218 integer, parameter :: r219f = 219 integer, parameter :: r220f = 220 integer, parameter :: r221f = 221 integer, parameter :: r222f = 222 integer, parameter :: r223f = 223 integer, parameter :: r224f = 224 integer, parameter :: r225f = 225 integer, parameter :: r226f = 226 integer, parameter :: r227f = 227 integer, parameter :: r228f = 228 integer, parameter :: r229f = 229 integer, parameter :: r230f = 230 integer, parameter :: r231f = 231 integer, parameter :: r232f = 232 integer, parameter :: r233f = 233 integer, parameter :: r234f = 234 integer, parameter :: r235f = 235 integer, parameter :: r236f = 236 integer, parameter :: r237f = 237 integer, parameter :: r238f = 238 integer, parameter :: r239f = 239 integer, parameter :: r240f = 240 integer, parameter :: r241f = 241 integer, parameter :: r242f = 242 integer, parameter :: r243f = 243 integer, parameter :: r244f = 244 integer, parameter :: r245f = 245 integer, parameter :: r246f = 246 integer, parameter :: r247f = 247 integer, parameter :: r248f = 248 integer, parameter :: r249f = 249 integer, parameter :: r250f = 250 integer, parameter :: r251f = 251 integer, parameter :: r252f = 252 integer, parameter :: r253f = 253 integer, parameter :: r254f = 254 integer, parameter :: r255f = 255 integer, parameter :: r256f = 256 integer, parameter :: r257f = 257 integer, parameter :: r258f = 258 integer, parameter :: r259f = 259 integer, parameter :: r260f = 260 integer, parameter :: r261f = 261 integer, parameter :: r262f = 262 integer, parameter :: r263f = 263 integer, parameter :: r264f = 264 integer, parameter :: r265f = 265 integer, parameter :: r266f = 266 integer, parameter :: r267f = 267 integer, parameter :: r268f = 268 integer, parameter :: r269f = 269 integer, parameter :: r270f = 270 integer, parameter :: r271f = 271 integer, parameter :: r272f = 272 integer, parameter :: r273f = 273 integer, parameter :: r274f = 274 integer, parameter :: r275f = 275 integer, parameter :: r276f = 276 integer, parameter :: r277f = 277 integer, parameter :: r278f = 278 integer, parameter :: r279f = 279 integer, parameter :: r280f = 280 integer, parameter :: r281f = 281 integer, parameter :: r282f = 282 integer, parameter :: r283f = 283 integer, parameter :: r284f = 284 integer, parameter :: r285f = 285 integer, parameter :: r286f = 286 integer, parameter :: r287f = 287 integer, parameter :: r288f = 288 integer, parameter :: r289f = 289 integer, parameter :: r290f = 290 integer, parameter :: r291f = 291 integer, parameter :: r292f = 292 integer, parameter :: r293f = 293 integer, parameter :: r294f = 294 integer, parameter :: r295f = 295 integer, parameter :: r296f = 296 integer, parameter :: r297f = 297 integer, parameter :: r298f = 298 integer, parameter :: r299f = 299 integer, parameter :: r300f = 300 integer, parameter :: r301f = 301 integer, parameter :: r302f = 302 integer, parameter :: r303f = 303 integer, parameter :: r304f = 304 integer, parameter :: r305f = 305 integer, parameter :: r306f = 306 integer, parameter :: r307f = 307 integer, parameter :: r308f = 308 integer, parameter :: r309f = 309 integer, parameter :: r310f = 310 integer, parameter :: r311f = 311 integer, parameter :: r312f = 312 integer, parameter :: r313f = 313 integer, parameter :: r314f = 314 integer, parameter :: r315f = 315 integer, parameter :: r316f = 316 integer, parameter :: r317f = 317 integer, parameter :: r318f = 318 integer, parameter :: r319f = 319 integer, parameter :: r320f = 320 integer, parameter :: r321f = 321 integer, parameter :: r322f = 322 integer, parameter :: r323f = 323 integer, parameter :: r324f = 324 integer, parameter :: r325f = 325 integer, parameter :: r326f = 326 integer, parameter :: r327f = 327 integer, parameter :: r328f = 328 integer, parameter :: r329f = 329 integer, parameter :: r330f = 330 integer, parameter :: r331f = 331 integer, parameter :: r332f = 332 integer, parameter :: r333f = 333 integer, parameter :: r334f = 334 integer, parameter :: r335f = 335 integer, parameter :: r336f = 336 integer, parameter :: r337f = 337 integer, parameter :: r338f = 338 integer, parameter :: r339f = 339 integer, parameter :: r340f = 340 integer, parameter :: r341f = 341 integer, parameter :: r342f = 342 integer, parameter :: r343f = 343 integer, parameter :: r344f = 344 integer, parameter :: r345f = 345 integer, parameter :: r346f = 346 integer, parameter :: r347f = 347 integer, parameter :: r348f = 348 integer, parameter :: r349f = 349 integer, parameter :: r350f = 350 integer, parameter :: r351f = 351 integer, parameter :: r352f = 352 integer, parameter :: r353f = 353 integer, parameter :: r354f = 354 integer, parameter :: r355f = 355 integer, parameter :: r356f = 356 integer, parameter :: r357f = 357 integer, parameter :: r358f = 358 integer, parameter :: r359f = 359 integer, parameter :: r360f = 360 integer, parameter :: r361f = 361 integer, parameter :: r362f = 362 integer, parameter :: r363f = 363 integer, parameter :: r364f = 364 integer, parameter :: r365f = 365 integer, parameter :: r366f = 366 integer, parameter :: r367f = 367 integer, parameter :: r368f = 368 integer, parameter :: r369f = 369 integer, parameter :: r370f = 370 integer, parameter :: r371f = 371 integer, parameter :: r372f = 372 integer, parameter :: r373f = 373 integer, parameter :: r374f = 374 integer, parameter :: r375f = 375 integer, parameter :: r376f = 376 integer, parameter :: r377f = 377 integer, parameter :: r378f = 378 integer, parameter :: r379f = 379 integer, parameter :: r380f = 380 integer, parameter :: r381f = 381 integer, parameter :: r382f = 382 integer, parameter :: r383f = 383 integer, parameter :: r384f = 384 integer, parameter :: r385f = 385 integer, parameter :: r386f = 386 integer, parameter :: r387f = 387 integer, parameter :: r388f = 388 integer, parameter :: r389f = 389 integer, parameter :: r390f = 390 integer, parameter :: r391f = 391 integer, parameter :: r392f = 392 integer, parameter :: r393f = 393 integer, parameter :: r394f = 394 integer, parameter :: r395f = 395 integer, parameter :: r396f = 396 integer, parameter :: r397f = 397 integer, parameter :: r398f = 398 integer, parameter :: r399f = 399 integer, parameter :: r400f = 400 integer, parameter :: r401f = 401 integer, parameter :: r402f = 402 integer, parameter :: r403f = 403 integer, parameter :: r404f = 404 integer, parameter :: r405f = 405 integer, parameter :: r406f = 406 integer, parameter :: r407f = 407 integer, parameter :: r408f = 408 integer, parameter :: r409f = 409 integer, parameter :: r410f = 410 integer, parameter :: r411f = 411 integer, parameter :: r412f = 412 integer, parameter :: r413f = 413 integer, parameter :: r1b = 414 integer, parameter :: r2b = 415 integer, parameter :: r3b = 416 integer, parameter :: r4b = 417 integer, parameter :: r5b = 418 integer, parameter :: r6b = 419 integer, parameter :: r7b = 420 integer, parameter :: r8b = 421 integer, parameter :: r9b = 422 integer, parameter :: r10b = 423 integer, parameter :: r11b = 424 integer, parameter :: r12b = 425 integer, parameter :: r13b = 426 integer, parameter :: r14b = 427 integer, parameter :: r15b = 428 integer, parameter :: r16b = 429 integer, parameter :: r17b = 430 integer, parameter :: r18b = 431 integer, parameter :: r19b = 432 integer, parameter :: r20b = 433 integer, parameter :: r21b = 434 integer, parameter :: r22b = 435 integer, parameter :: r23b = 436 integer, parameter :: r24b = 437 integer, parameter :: r25b = 438 integer, parameter :: r28b = 439 integer, parameter :: r33b = 440 integer, parameter :: r34b = 441 integer, parameter :: r35b = 442 integer, parameter :: r36b = 443 integer, parameter :: r37b = 444 integer, parameter :: r38b = 445 integer, parameter :: r47b = 446 integer, parameter :: r48b = 447 integer, parameter :: r49b = 448 integer, parameter :: r50b = 449 integer, parameter :: r51b = 450 integer, parameter :: r52b = 451 integer, parameter :: r53b = 452 integer, parameter :: r54b = 453 integer, parameter :: r55b = 454 integer, parameter :: r56b = 455 integer, parameter :: r57b = 456 integer, parameter :: r58b = 457 integer, parameter :: r59b = 458 integer, parameter :: r60b = 459 integer, parameter :: r61b = 460 integer, parameter :: r62b = 461 integer, parameter :: r63b = 462 integer, parameter :: r64b = 463 integer, parameter :: r65b = 464 integer, parameter :: r66b = 465 integer, parameter :: r68b = 466 integer, parameter :: r69b = 467 integer, parameter :: r70b = 468 integer, parameter :: r71b = 469 integer, parameter :: r89b = 470 integer, parameter :: r90b = 471 integer, parameter :: r91b = 472 integer, parameter :: r92b = 473 integer, parameter :: r93b = 474 integer, parameter :: r94b = 475 integer, parameter :: r95b = 476 integer, parameter :: r96b = 477 integer, parameter :: r100b = 478 integer, parameter :: r105b = 479 integer, parameter :: r106b = 480 integer, parameter :: r107b = 481 integer, parameter :: r108b = 482 integer, parameter :: r109b = 483 integer, parameter :: r110b = 484 integer, parameter :: r111b = 485 integer, parameter :: r112b = 486 integer, parameter :: r113b = 487 integer, parameter :: r114b = 488 integer, parameter :: r115b = 489 integer, parameter :: r116b = 490 integer, parameter :: r117b = 491 integer, parameter :: r118b = 492 integer, parameter :: r121b = 493 integer, parameter :: r122b = 494 integer, parameter :: r123b = 495 integer, parameter :: r124b = 496 integer, parameter :: r125b = 497 integer, parameter :: r126b = 498 integer, parameter :: r127b = 499 integer, parameter :: r128b = 500 integer, parameter :: r129b = 501 integer, parameter :: r130b = 502 integer, parameter :: r134b = 503 integer, parameter :: r135b = 504 integer, parameter :: r136b = 505 ! Index of third body species integer, parameter :: mM1 = 1 integer, parameter :: mM2 = 2 integer, parameter :: mM3 = 3 integer, parameter :: mM4 = 4 integer, parameter :: mM5 = 5 integer, parameter :: mM7 = 6 integer, parameter :: mM8 = 7 integer, parameter :: mM10 = 8 integer, parameter :: mM11 = 9 integer, parameter :: mM12 = 10 integer, parameter :: mM13 = 11 integer, parameter :: mM14 = 12 integer, parameter :: mM15 = 13 integer, parameter :: mM16 = 14 integer, parameter :: mM18 = 15 integer, parameter :: mM49 = 16 integer, parameter :: mM50 = 17 integer, parameter :: mM51 = 18 integer, parameter :: mM52 = 19 integer, parameter :: mM53 = 20 ! Index of third body reactions integer, parameter :: TBr1f = 1 integer, parameter :: TBr2f = 2 integer, parameter :: TBr1b = 3 integer, parameter :: TBr2b = 4 ! Index of fall off reactions integer, parameter :: FOr3f = 1 integer, parameter :: FOr4f = 2 integer, parameter :: FOr5f = 3 integer, parameter :: FOr7f = 4 integer, parameter :: FOr8f = 5 integer, parameter :: FOr10f = 6 integer, parameter :: FOr11f = 7 integer, parameter :: FOr12f = 8 integer, parameter :: FOr13f = 9 integer, parameter :: FOr14f = 10 integer, parameter :: FOr15f = 11 integer, parameter :: FOr16f = 12 integer, parameter :: FOr18f = 13 integer, parameter :: FOr49f = 14 integer, parameter :: FOr50f = 15 integer, parameter :: FOr51f = 16 integer, parameter :: FOr52f = 17 integer, parameter :: FOr53f = 18 integer, parameter :: FOr3b = 19 integer, parameter :: FOr4b = 20 integer, parameter :: FOr5b = 21 integer, parameter :: FOr7b = 22 integer, parameter :: FOr8b = 23 integer, parameter :: FOr10b = 24 integer, parameter :: FOr11b = 25 integer, parameter :: FOr12b = 26 integer, parameter :: FOr13b = 27 integer, parameter :: FOr14b = 28 integer, parameter :: FOr15b = 29 integer, parameter :: FOr16b = 30 integer, parameter :: FOr18b = 31 integer, parameter :: FOr49b = 32 integer, parameter :: FOr50b = 33 integer, parameter :: FOr51b = 34 integer, parameter :: FOr52b = 35 integer, parameter :: FOr53b = 36 ! Molar mass real(pr), parameter, dimension(nspec) :: W_sp =(/ & 0.02801348_pr, & ! N2 0.00201588_pr, & ! H2 0.01801528_pr, & ! H2O 0.03002628_pr, & ! CH2O 0.01604276_pr, & ! CH4 0.02603788_pr, & ! C2H2 0.02805376_pr, & ! C2H4 0.04405316_pr, & ! CH3CHO 0.03006964_pr, & ! C2H6 0.04006476_pr, & ! PC3H4 0.04006476_pr, & ! AC3H4 0.04208064_pr, & ! C3H6 0.04409652_pr, & ! C3H8 0.05207576_pr, & ! C4H4 0.05409164_pr, & ! C4H6 0.05610752_pr, & ! IC4H8 0.05610752_pr, & ! NC4H8 0.0581234_pr, & ! NC4H10 0.00100794_pr, & ! H 0.01503482_pr, & ! CH3 0.0290617_pr, & ! C2H5 0.03905682_pr, & ! C3H3 0.0410727_pr, & ! CH2CHCH2 0.05509958_pr & ! SC4H7 !0.01700734_pr, & ! OH !0.02704582_pr, & ! C2H3 !0.04304522_pr, & ! CH2CHO !0.04308858_pr, & ! NC3H7 !0.04308858_pr, & ! IC3H7 !0.0530837_pr, & ! C4H5 !0.05509958_pr, & ! CH2C3H5 !0.05509958_pr, & ! IC4H7 !0.05711546_pr, & ! IC4H9P !0.05711546_pr, & ! NC4H9S !0.05711546_pr, & ! NC4H9P !0.0410727_pr & ! C3H5GL1G /) 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(mM1) = (1.5_pr)*c(sH2) & + (11_pr)*c(sH2O) & + sum(c) M(mM2) = (1_pr)*c(sH2) & + (15_pr)*c(sH2O) & + sum(c) M(mM3) = (1_pr)*c(sH2) & + (4_pr)*c(sH2O) & + sum(c) M(mM4) = (1_pr)*c(sH2) & + (4_pr)*c(sH2O) & + sum(c) M(mM5) = (2_pr)*c(sC2H6) & + (1_pr)*c(sCH4) & + (5_pr)*c(sH2O) & + sum(c) M(mM7) = (2_pr)*c(sC2H6) & + (1_pr)*c(sCH4) & + (1_pr)*c(sH2) & + (5_pr)*c(sH2O) & + sum(c) M(mM8) = sum(c) M(mM10) = (2_pr)*c(sC2H6) & + (1_pr)*c(sCH4) & + (1_pr)*c(sH2) & + (5_pr)*c(sH2O) & + sum(c) M(mM11) = (2_pr)*c(sC2H6) & + (1_pr)*c(sCH4) & + (1_pr)*c(sH2) & + (5_pr)*c(sH2O) & + sum(c) M(mM12) = (2_pr)*c(sC2H6) & + (1_pr)*c(sCH4) & + (1_pr)*c(sH2) & + (5_pr)*c(sH2O) & + sum(c) M(mM13) = (3.3_pr)*c(sC2H6) & + (1.9_pr)*c(sCH4) & + (1.9_pr)*c(sH2) & + (7.6_pr)*c(sH2O) & + sum(c) M(mM14) = (3.3_pr)*c(sC2H6) & + (1.9_pr)*c(sCH4) & + (1.9_pr)*c(sH2) & + (7.6_pr)*c(sH2O) & + sum(c) M(mM15) = (2_pr)*c(sC2H6) & + (1_pr)*c(sCH4) & + (1_pr)*c(sH2) & + (5_pr)*c(sH2O) & + sum(c) M(mM16) = sum(c) M(mM18) = (2_pr)*c(sC2H6) & + (1_pr)*c(sCH4) & + (1_pr)*c(sH2) & + (5_pr)*c(sH2O) & + sum(c) M(mM49) = (1_pr)*c(sH2) & + (4_pr)*c(sH2O) & + sum(c) M(mM50) = (1_pr)*c(sH2) & + (4_pr)*c(sH2O) & + sum(c) M(mM51) = sum(c) M(mM52) = sum(c) M(mM53) = 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) = (111500000_pr)*exp((-402002.904_pr)*R_T_inv) k(r2f) = (45000000000_pr)*exp(T_log *(-2_pr)) k_0(FOr3f) = (640000000000_pr)*exp(T_log *(-1.8_pr)) k_inf(FOr3f) = (1200000000_pr)*exp(T_log *(-0.4_pr)) FC(FOr3f) = ((1.0_pr - 0.45_pr)*exp(-Tloc/(797_pr))) + (0.45_pr*exp(-Tloc/(979_pr)))& + exp(-(1_pr)/Tloc) k(r3f) = getlindratecoeff(Tloc,k_0(FOr3f),k_inf(FOr3f),FC(FOr3f), M(mM3),Ploc) k_0(FOr4f) = (2.33e+22_pr)*exp((5020.8_pr)*R_T_inv + T_log *(-5.03_pr)) k_inf(FOr4f) = (25000000_pr) FC(FOr4f) = ((1.0_pr - 0.38_pr)*exp(-Tloc/(73_pr))) + (0.38_pr*exp(-Tloc/(1180_pr))) k(r4f) = getlindratecoeff(Tloc,k_0(FOr4f),k_inf(FOr4f),FC(FOr4f), M(mM4),Ploc) k_0(FOr5f) = (1.99e+29_pr)*exp((-27970.04_pr)*R_T_inv + T_log *(-7.08_pr)) k_inf(FOr5f) = (521000000000_pr)*exp((-6610.72_pr)*R_T_inv + T_log *(-0.99_pr)) FC(FOr5f) = ((1.0_pr - 0.8422_pr)*exp(-Tloc/(125_pr))) + (0.8422_pr*exp(-Tloc/(2219_pr)))& + exp(-(6882_pr)/Tloc) k(r5f) = getlindratecoeff(Tloc,k_0(FOr5f),k_inf(FOr5f),FC(FOr5f), M(mM5),Ploc) k(r6f) = (18100000_pr) k_0(FOr7f) = (1.33e+48_pr)*exp((-24969.2752_pr)*R_T_inv + T_log *(-12_pr)) k_inf(FOr7f) = (100000000_pr) FC(FOr7f) = ((1.0_pr - 0.02_pr)*exp(-Tloc/(1097_pr))) + (0.02_pr*exp(-Tloc/(10970_pr)))& + exp(-(6860_pr)/Tloc) k(r7f) = getlindratecoeff(Tloc,k_0(FOr7f),k_inf(FOr7f),FC(FOr7f), M(mM7),Ploc) k_0(FOr8f) = (6.8e+49_pr)*exp((-25104_pr)*R_T_inv + T_log *(-13.42_pr)) k_inf(FOr8f) = (960000000_pr)*exp(T_log *(-0.5_pr)) FC(FOr8f) = ((1.0_pr - 1_pr)*exp(-Tloc/(1000_pr))) + (1_pr*exp(-Tloc/(1434_pr)))& + exp(-(5329_pr)/Tloc) k(r8f) = getlindratecoeff(Tloc,k_0(FOr8f),k_inf(FOr8f),FC(FOr8f), M(mM8),Ploc) k(r9f) = (50000000_pr) k_0(FOr10f) = (1.7e+46_pr)*exp((-47127.3208_pr)*R_T_inv + T_log *(-12.08_pr)) k_inf(FOr10f) = (24000000_pr) FC(FOr10f) = ((1.0_pr - 0.649_pr)*exp(-Tloc/(1213_pr))) + (0.649_pr*exp(-Tloc/(1213_pr)))& + exp(-(13370_pr)/Tloc) k(r10f) = getlindratecoeff(Tloc,k_0(FOr10f),k_inf(FOr10f),FC(FOr10f), M(mM10),Ploc) k_0(FOr11f) = (1.58e+45_pr)*exp((-409195.2_pr)*R_T_inv + T_log *(-9.3_pr)) k_inf(FOr11f) = (8000000000000_pr)*exp((-371413.68_pr)*R_T_inv + T_log *(0.44_pr)) FC(FOr11f) = ((1.0_pr - 0.7345_pr)*exp(-Tloc/(180_pr))) + (0.7345_pr*exp(-Tloc/(1035_pr)))& + exp(-(5417_pr)/Tloc) k(r11f) = getlindratecoeff(Tloc,k_0(FOr11f),k_inf(FOr11f),FC(FOr11f), M(mM11),Ploc) k_0(FOr12f) = (1.4e+18_pr)*exp((-13890.88_pr)*R_T_inv + T_log *(-3.86_pr)) k_inf(FOr12f) = (6080000_pr)*exp((-1171.52_pr)*R_T_inv + T_log *(0.27_pr)) FC(FOr12f) = ((1.0_pr - 0.782_pr)*exp(-Tloc/(207.5_pr))) + (0.782_pr*exp(-Tloc/(2663_pr)))& + exp(-(6095_pr)/Tloc) k(r12f) = getlindratecoeff(Tloc,k_0(FOr12f),k_inf(FOr12f),FC(FOr12f), M(mM12),Ploc) k_0(FOr13f) = (3.5e+21_pr)*exp((-9309.4_pr)*R_T_inv + T_log *(-4.9_pr)) k_inf(FOr13f) = (100000000000_pr)*exp((-1317.96_pr)*R_T_inv + T_log *(-0.8_pr)) FC(FOr13f) = ((1.0_pr - 0.709_pr)*exp(-Tloc/(134_pr))) + (0.709_pr*exp(-Tloc/(1784_pr)))& + exp(-(5740_pr)/Tloc) k(r13f) = getlindratecoeff(Tloc,k_0(FOr13f),k_inf(FOr13f),FC(FOr13f), M(mM13),Ploc) k_0(FOr14f) = (3.5e+21_pr)*exp((-9309.4_pr)*R_T_inv + T_log *(-4.9_pr)) k_inf(FOr14f) = (100000000000_pr)*exp((-1317.96_pr)*R_T_inv + T_log *(-0.8_pr)) FC(FOr14f) = ((1.0_pr - 0.709_pr)*exp(-Tloc/(134_pr))) + (0.709_pr*exp(-Tloc/(1784_pr)))& + exp(-(5740_pr)/Tloc) k(r14f) = getlindratecoeff(Tloc,k_0(FOr14f),k_inf(FOr14f),FC(FOr14f), M(mM14),Ploc) k_0(FOr15f) = (4.27e+46_pr)*exp((-40877.68_pr)*R_T_inv + T_log *(-11.94_pr)) k_inf(FOr15f) = (25000000_pr) FC(FOr15f) = ((1.0_pr - 0.175_pr)*exp(-Tloc/(1341_pr))) + (0.175_pr*exp(-Tloc/(60000_pr)))& + exp(-(10140_pr)/Tloc) k(r15f) = getlindratecoeff(Tloc,k_0(FOr15f),k_inf(FOr15f),FC(FOr15f), M(mM15),Ploc) k_0(FOr16f) = (1.55e+44_pr)*exp((-37590.7296_pr)*R_T_inv + T_log *(-11.79_pr)) k_inf(FOr16f) = (15000000_pr) FC(FOr16f) = ((1.0_pr - 0.198_pr)*exp(-Tloc/(2278_pr))) + (0.198_pr*exp(-Tloc/(60000_pr)))& + exp(-(5723_pr)/Tloc) k(r16f) = getlindratecoeff(Tloc,k_0(FOr16f),k_inf(FOr16f),FC(FOr16f), M(mM16),Ploc) k(r17f) = (2e+16_pr)*exp((-326352_pr)*R_T_inv) k_0(FOr18f) = (1.33e+48_pr)*exp((-24969.2752_pr)*R_T_inv + T_log *(-12_pr)) k_inf(FOr18f) = (50000000_pr) FC(FOr18f) = ((1.0_pr - 0.02_pr)*exp(-Tloc/(1097_pr))) + (0.02_pr*exp(-Tloc/(10970_pr)))& + exp(-(6860_pr)/Tloc) k(r18f) = getlindratecoeff(Tloc,k_0(FOr18f),k_inf(FOr18f),FC(FOr18f), M(mM18),Ploc) k(r19f) = (1.5e+16_pr)*exp((-372376_pr)*R_T_inv) k(r20f) = (250000000_pr)*exp((-28032.8_pr)*R_T_inv + T_log *(-0.71_pr)) k(r21f) = (7500000000000_pr)*exp((-167360_pr)*R_T_inv) k(r22f) = (50000_pr)*exp((-117152_pr)*R_T_inv) k(r23f) = (2.52e+15_pr)*exp((-396224.8_pr)*R_T_inv) k(r24f) = (30000000_pr) k(r25f) = (100000000_pr)*exp((-271960_pr)*R_T_inv) k(r26f) = (60000_pr) k(r27f) = (500000000_pr)*exp((-133888_pr)*R_T_inv) k(r28f) = (13330000_pr) k(r29f) = (30000000_pr)*exp((-259408_pr)*R_T_inv) k(r30f) = (500000_pr) k(r31f) = (9000000_pr) k(r32f) = (1000000_pr) k(r33f) = (10000000_pr) k(r34f) = (15000000_pr) k(r35f) = (200000000_pr)*exp((-251040_pr)*R_T_inv) k(r36f) = (40000000_pr)*exp((-195811.2_pr)*R_T_inv) k(r37f) = (480000000_pr)*exp((-299156_pr)*R_T_inv) k(r38f) = (57800000_pr)*exp((-215894.4_pr)*R_T_inv) k(r39f) = (2000000_pr) k(r40f) = (100000_pr) k(r41f) = (25000_pr)*exp((-6276_pr)*R_T_inv) k(r42f) = (500000_pr) k(r43f) = (700000_pr) k(r44f) = (50000_pr) k(r45f) = (700000_pr) k(r46f) = (700000_pr) k(r47f) = (500000000_pr)*exp((-267776_pr)*R_T_inv) k(r48f) = (6.026e+53_pr)*exp((-352610.784_pr)*R_T_inv + T_log *(-12.18_pr)) k_0(FOr49f) = (39000_pr)*exp((2343.04_pr)*R_T_inv) k_inf(FOr49f) = (10000000_pr)*exp((-11589.68_pr)*R_T_inv) k(r49f) = getlindratecoeff(Tloc,k_0(FOr49f),k_inf(FOr49f),1.0_pr, M(mM49),Ploc) k_0(FOr50f) = (4600000_pr)*exp((-4476.88_pr)*R_T_inv) k_inf(FOr50f) = (17700000_pr)*exp((-8828.24_pr)*R_T_inv) FC(FOr50f) = ((1.0_pr - 1_pr)*exp(-Tloc/(1e-15_pr))) + (1_pr*exp(-Tloc/(95_pr)))& + exp(-(200_pr)/Tloc) k(r50f) = getlindratecoeff(Tloc,k_0(FOr50f),k_inf(FOr50f),FC(FOr50f), M(mM50),Ploc) k_0(FOr51f) = (8.45e+27_pr)*exp((-27518.168_pr)*R_T_inv + T_log *(-7.27_pr)) k_inf(FOr51f) = (6500000_pr)*exp((-8368_pr)*R_T_inv) k(r51f) = getlindratecoeff(Tloc,k_0(FOr51f),k_inf(FOr51f),1.0_pr, M(mM51),Ploc) k_0(FOr52f) = (5.66e+21_pr)*exp((-18610.432_pr)*R_T_inv + T_log *(-5_pr)) k_inf(FOr52f) = (120000_pr)*exp((-12581.288_pr)*R_T_inv + T_log *(0.69_pr)) k(r52f) = getlindratecoeff(Tloc,k_0(FOr52f),k_inf(FOr52f),1.0_pr, M(mM52),Ploc) k_0(FOr53f) = (1.11e+22_pr)*exp((-18610.432_pr)*R_T_inv + T_log *(-5_pr)) k_inf(FOr53f) = (8490000_pr)*exp((-8368_pr)*R_T_inv) k(r53f) = getlindratecoeff(Tloc,k_0(FOr53f),k_inf(FOr53f),1.0_pr, M(mM53),Ploc) k(r54f) = (8.97023253843914e+16_pr)*exp((-159769.555768027_pr)*R_T_inv + T_log *(-1.2038060831745_pr)) k(r55f) = (232744502539.983_pr)*exp((-151919.693402761_pr)*R_T_inv) k(r56f) = (50000000_pr)*exp((-16736_pr)*R_T_inv) k(r57f) = (1.55163001693322e+19_pr)*exp((-310911.693402761_pr)*R_T_inv) k(r58f) = (50000000000000_pr)*exp((-171544_pr)*R_T_inv) k(r59f) = (2000000000000_pr)*exp((-175728_pr)*R_T_inv) k(r60f) = (10000000000000_pr)*exp((-133888_pr)*R_T_inv) k(r61f) = (10000000000000_pr)*exp((-165268_pr)*R_T_inv) k(r62f) = (5000000000000_pr)*exp((-184096_pr)*R_T_inv) k(r63f) = (200000000000000_pr)*exp((-213384_pr)*R_T_inv) k(r64f) = (2500000000000_pr)*exp((-150624_pr)*R_T_inv) k(r65f) = (25000000000000_pr)*exp((-158992_pr)*R_T_inv) k(r66f) = (10000000000000_pr)*exp((-158992_pr)*R_T_inv) k(r67f) = (100000000000000_pr)*exp((-209200_pr)*R_T_inv) k(r68f) = (10000000000000_pr)*exp((-238488_pr)*R_T_inv) k(r69f) = (140000000_pr)*exp((-58576_pr)*R_T_inv) k(r70f) = (5e-05_pr)*exp((-23752.568_pr)*R_T_inv + T_log *(3.7_pr)) k(r71f) = (0.2_pr)*exp((-4184_pr)*R_T_inv + T_log *(2.5_pr)) k(r72f) = (4000000_pr) k(r73f) = (4000000_pr) k(r74f) = (25000000_pr)*exp((-129704_pr)*R_T_inv) k(r75f) = (100000_pr)*exp((-31798.4_pr)*R_T_inv) k(r76f) = (300000_pr)*exp((-31798.4_pr)*R_T_inv) k(r77f) = (180000_pr)*exp((-31798.4_pr)*R_T_inv) k(r78f) = (10000_pr)*exp((-20920_pr)*R_T_inv) k(r79f) = (200000_pr)*exp((-31798.4_pr)*R_T_inv) k(r80f) = (100000_pr)*exp((-31798.4_pr)*R_T_inv) k(r81f) = (50000_pr)*exp((-31798.4_pr)*R_T_inv) k(r82f) = (10000000_pr)*exp((-94140_pr)*R_T_inv) k(r83f) = (300000_pr)*exp((-75312_pr)*R_T_inv) k(r84f) = (897023253.843914_pr)*exp((-25881.5557680271_pr)*R_T_inv + T_log *(-1.2038060831745_pr)) k(r85f) = (1794046507.68783_pr)*exp((-13329.5557680271_pr)*R_T_inv + T_log *(-1.2038060831745_pr)) k(r86f) = (200000_pr)*exp((-54392_pr)*R_T_inv) k(r87f) = (300000_pr)*exp((-31798.4_pr)*R_T_inv) k(r88f) = (300000_pr)*exp((-31798.4_pr)*R_T_inv) k(r89f) = (30000000000000_pr)*exp((-297064_pr)*R_T_inv) k(r90f) = (18000000000000_pr)*exp((-326352_pr)*R_T_inv) k(r91f) = (18000000000000_pr)*exp((-326352_pr)*R_T_inv) k(r92f) = (50000000000000_pr)*exp((-292880_pr)*R_T_inv) k(r93f) = (1500000_pr)*exp((-156481.6_pr)*R_T_inv) k(r94f) = (50000000000000_pr)*exp((-292880_pr)*R_T_inv) k(r95f) = (10000_pr)*exp((-167360_pr)*R_T_inv) k(r96f) = (300000_pr)*exp((-177820_pr)*R_T_inv) k(r97f) = (500000_pr)*exp((-104600_pr)*R_T_inv) k(r98f) = (2000000_pr) k(r99f) = (1500000_pr) k(r100f) = (6000000_pr) k(r101f) = (2000000_pr) k(r102f) = (60000000_pr) k(r103f) = (500000_pr) k(r104f) = (5000000_pr) k(r105f) = (200000_pr)*exp((-31798.4_pr)*R_T_inv) k(r106f) = (10_pr)*exp((-17572.8_pr)*R_T_inv + T_log *(2_pr)) k(r107f) = (20000000_pr)*exp((-25104_pr)*R_T_inv) k(r108f) = (50_pr)*exp((-20920_pr)*R_T_inv + T_log *(2_pr)) k(r109f) = (20_pr)*exp((-4184_pr)*R_T_inv + T_log *(2_pr)) k(r110f) = (10_pr)*exp((-20920_pr)*R_T_inv + T_log *(2_pr)) k(r111f) = (8_pr)*exp((-4184_pr)*R_T_inv + T_log *(2_pr)) k(r112f) = (2.22e-06_pr)*exp((-23430.4_pr)*R_T_inv + T_log *(3.5_pr)) k(r113f) = (40000000_pr)*exp((-66944_pr)*R_T_inv) k(r114f) = (48000_pr)*exp((-79496_pr)*R_T_inv + T_log *(1_pr)) k(r115f) = (30_pr)*exp((-41840_pr)*R_T_inv + T_log *(2_pr)) k(r116f) = (143000000_pr)*exp((-43932_pr)*R_T_inv) k(r117f) = (127000000_pr)*exp((-43932_pr)*R_T_inv) k(r118f) = (32000000_pr)*exp((-33053.6_pr)*R_T_inv) k(r119f) = (1.68_pr)*exp((1807.9064_pr)*R_T_inv + T_log *(2_pr)) k(r120f) = (45000_pr)*exp((-75312_pr)*R_T_inv) k(r121f) = (50000000_pr) k(r122f) = (50000000_pr) k(r123f) = (3e+16_pr)*exp((-347272_pr)*R_T_inv) k(r124f) = (20000000000000_pr)*exp((-125520_pr)*R_T_inv) k(r125f) = (15000000000000_pr)*exp((-161084_pr)*R_T_inv) k(r126f) = (1000000000000_pr)*exp((-144348_pr)*R_T_inv) k(r127f) = (25000000000000_pr)*exp((-135980_pr)*R_T_inv) k(r128f) = (30000000000000_pr)*exp((-170707.2_pr)*R_T_inv) k(r129f) = (40000000000000_pr)*exp((-133888_pr)*R_T_inv) k(r130f) = (30000000000000_pr)*exp((-154808_pr)*R_T_inv) k(r131f) = (150000_pr)*exp((-31798.4_pr)*R_T_inv) k(r132f) = (150000_pr)*exp((-31798.4_pr)*R_T_inv) k(r133f) = (300000_pr)*exp((-31798.4_pr)*R_T_inv) k(r134f) = (50000000000000_pr)*exp((-297064_pr)*R_T_inv) k(r135f) = (95000000_pr)*exp((-43932_pr)*R_T_inv) k(r136f) = (63500000_pr)*exp((-33053.6_pr)*R_T_inv) k(r137f) = (0.9496_pr)*exp((-35395.67768_pr)*R_T_inv + T_log *(2_pr)) k(r138f) = (0.378_pr)*exp((-34093.49136_pr)*R_T_inv + T_log *(2_pr)) k(r139f) = (0.4759_pr)*exp((-85363.47424_pr)*R_T_inv + T_log *(2_pr)) k(r140f) = (0.4759_pr)*exp((-85363.47424_pr)*R_T_inv + T_log *(2_pr)) k(r141f) = (1695.373949765_pr)*exp((-34971.9233680271_pr)*R_T_inv + T_log *(0.796193916825495_pr)) k(r142f) = (293258.073200379_pr)*exp((-187458.924122761_pr)*R_T_inv + T_log *(2_pr)) k(r143f) = (0.1895_pr)*exp((-45503.38488_pr)*R_T_inv + T_log *(2_pr)) k(r144f) = (0.3218_pr)*exp((-67048.89288_pr)*R_T_inv + T_log *(2_pr)) k(r145f) = (2.796_pr)*exp((-6552.60424_pr)*R_T_inv + T_log *(2_pr)) k(r146f) = (0.1609_pr)*exp((-61178.40616_pr)*R_T_inv + T_log *(2_pr)) k(r147f) = (0.1685_pr)*exp((-98187.30872_pr)*R_T_inv + T_log *(2_pr)) k(r148f) = (0.09473_pr)*exp((-56131.16328_pr)*R_T_inv + T_log *(2_pr)) k(r149f) = (0.09473_pr)*exp((-66357.4032_pr)*R_T_inv + T_log *(2_pr)) k(r150f) = (0.4748_pr)*exp((-46415.6224_pr)*R_T_inv + T_log *(2_pr)) k(r151f) = (0.189_pr)*exp((-45021.26256_pr)*R_T_inv + T_log *(2_pr)) k(r152f) = (0.238_pr)*exp((-98187.30872_pr)*R_T_inv + T_log *(2_pr)) k(r153f) = (0.238_pr)*exp((-98187.30872_pr)*R_T_inv + T_log *(2_pr)) k(r154f) = (847.686974882499_pr)*exp((-45864.1305680271_pr)*R_T_inv + T_log *(0.796193916825495_pr)) k(r155f) = (146629.036600189_pr)*exp((-197877.293322761_pr)*R_T_inv + T_log *(2_pr)) k(r156f) = (0.09473_pr)*exp((-56590.98488_pr)*R_T_inv + T_log *(2_pr)) k(r157f) = (0.1609_pr)*exp((-79364.32952_pr)*R_T_inv + T_log *(2_pr)) k(r158f) = (0.09473_pr)*exp((-57510.04232_pr)*R_T_inv + T_log *(2_pr)) k(r159f) = (0.1039_pr)*exp((-62703.34864_pr)*R_T_inv + T_log *(2_pr)) k(r160f) = (19.25_pr)*exp((-43554.47768_pr)*R_T_inv + T_log *(2_pr)) k(r161f) = (0.3122_pr)*exp((-47670.8224_pr)*R_T_inv + T_log *(2_pr)) k(r162f) = (0.1839_pr)*exp((-62463.85648_pr)*R_T_inv + T_log *(2_pr)) k(r163f) = (0.1925_pr)*exp((-99676.60352_pr)*R_T_inv + T_log *(2_pr)) k(r164f) = (0.1083_pr)*exp((-57383.26712_pr)*R_T_inv + T_log *(2_pr)) k(r165f) = (0.1083_pr)*exp((-67671.76496_pr)*R_T_inv + T_log *(2_pr)) k(r166f) = (0.216_pr)*exp((-95654.35696_pr)*R_T_inv + T_log *(2_pr)) k(r167f) = (0.216_pr)*exp((-46200.69032_pr)*R_T_inv + T_log *(2_pr)) k(r168f) = (0.272_pr)*exp((-99676.60352_pr)*R_T_inv + T_log *(2_pr)) k(r169f) = (0.272_pr)*exp((-99676.60352_pr)*R_T_inv + T_log *(2_pr)) k(r170f) = (968.785114151427_pr)*exp((-47043.5583280271_pr)*R_T_inv + T_log *(0.796193916825495_pr)) k(r171f) = (167576.041828788_pr)*exp((-199056.721082761_pr)*R_T_inv + T_log *(2_pr)) k(r172f) = (0.1083_pr)*exp((-57846.18488_pr)*R_T_inv + T_log *(2_pr)) k(r173f) = (0.1839_pr)*exp((-80758.522_pr)*R_T_inv + T_log *(2_pr)) k(r174f) = (0.1083_pr)*exp((-58771.3928_pr)*R_T_inv + T_log *(2_pr)) k(r175f) = (0.1187_pr)*exp((-63994.6984_pr)*R_T_inv + T_log *(2_pr)) k(r176f) = (3.595_pr)*exp((996.6288_pr)*R_T_inv + T_log *(2_pr)) k(r177f) = (0.3513_pr)*exp((-31890.40616_pr)*R_T_inv + T_log *(2_pr)) k(r178f) = (0.2166_pr)*exp((-77437.76488_pr)*R_T_inv + T_log *(2_pr)) k(r179f) = (0.1218_pr)*exp((-39436.58488_pr)*R_T_inv + T_log *(2_pr)) k(r180f) = (0.1218_pr)*exp((-47940.56488_pr)*R_T_inv + T_log *(2_pr)) k(r181f) = (0.6105_pr)*exp((-31920.65648_pr)*R_T_inv + T_log *(2_pr)) k(r182f) = (0.243_pr)*exp((-75852.65648_pr)*R_T_inv + T_log *(2_pr)) k(r183f) = (0.243_pr)*exp((-30665.45648_pr)*R_T_inv + T_log *(2_pr)) k(r184f) = (0.306_pr)*exp((-77437.76488_pr)*R_T_inv + T_log *(2_pr)) k(r185f) = (0.306_pr)*exp((-77437.76488_pr)*R_T_inv + T_log *(2_pr)) k(r186f) = (1089.88325342036_pr)*exp((-31412.7619280271_pr)*R_T_inv + T_log *(0.796193916825495_pr)) k(r187f) = (188523.047057386_pr)*exp((-182151.478282761_pr)*R_T_inv + T_log *(2_pr)) k(r188f) = (0.1218_pr)*exp((-39854.98488_pr)*R_T_inv + T_log *(2_pr)) k(r189f) = (0.2068_pr)*exp((-60774.98488_pr)*R_T_inv + T_log *(2_pr)) k(r190f) = (0.1218_pr)*exp((-40691.78488_pr)*R_T_inv + T_log *(2_pr)) k(r191f) = (0.1336_pr)*exp((-44593.36488_pr)*R_T_inv + T_log *(2_pr)) k(r192f) = (0.1171_pr)*exp((-23502.90872_pr)*R_T_inv + T_log *(2_pr)) k(r193f) = (0.06895_pr)*exp((-32041.36488_pr)*R_T_inv + T_log *(2_pr)) k(r194f) = (0.0406_pr)*exp((-27750.38_pr)*R_T_inv + T_log *(2_pr)) k(r195f) = (0.0406_pr)*exp((-33770.69576_pr)*R_T_inv + T_log *(2_pr)) k(r196f) = (0.2035_pr)*exp((-23737.00352_pr)*R_T_inv + T_log *(2_pr)) k(r197f) = (0.08101_pr)*exp((-64988.23104_pr)*R_T_inv + T_log *(2_pr)) k(r198f) = (0.08101_pr)*exp((-22579.20704_pr)*R_T_inv + T_log *(2_pr)) k(r199f) = (0.102_pr)*exp((-61635.00608_pr)*R_T_inv + T_log *(2_pr)) k(r200f) = (0.102_pr)*exp((-61635.00608_pr)*R_T_inv + T_log *(2_pr)) k(r201f) = (363.339268969477_pr)*exp((-23122.6680080271_pr)*R_T_inv + T_log *(0.796193916825495_pr)) k(r202f) = (62848.7738358801_pr)*exp((-171143.416122761_pr)*R_T_inv + T_log *(2_pr)) k(r203f) = (0.0406_pr)*exp((-28139.78488_pr)*R_T_inv + T_log *(2_pr)) k(r204f) = (0.06895_pr)*exp((-47762.452_pr)*R_T_inv + T_log *(2_pr)) k(r205f) = (0.0406_pr)*exp((-28919.01304_pr)*R_T_inv + T_log *(2_pr)) k(r206f) = (0.04452_pr)*exp((-30638.30232_pr)*R_T_inv + T_log *(2_pr)) k(r207f) = (10.53_pr)*exp((-42353.1676_pr)*R_T_inv + T_log *(2_pr)) k(r208f) = (1.747_pr)*exp((-6211.60824_pr)*R_T_inv + T_log *(2_pr)) k(r209f) = (0.1708_pr)*exp((-46341.7748_pr)*R_T_inv + T_log *(2_pr)) k(r210f) = (0.1006_pr)*exp((-61178.40616_pr)*R_T_inv + T_log *(2_pr)) k(r211f) = (0.1053_pr)*exp((-98284.71224_pr)*R_T_inv + T_log *(2_pr)) k(r212f) = (0.05921_pr)*exp((-56131.16328_pr)*R_T_inv + T_log *(2_pr)) k(r213f) = (0.05921_pr)*exp((-66454.80672_pr)*R_T_inv + T_log *(2_pr)) k(r214f) = (0.2967_pr)*exp((-46266.00256_pr)*R_T_inv + T_log *(2_pr)) k(r215f) = (0.1181_pr)*exp((-94027.6596_pr)*R_T_inv + T_log *(2_pr)) k(r216f) = (0.1181_pr)*exp((-44871.64272_pr)*R_T_inv + T_log *(2_pr)) k(r217f) = (0.1487_pr)*exp((-98284.71224_pr)*R_T_inv + T_log *(2_pr)) k(r218f) = (0.1487_pr)*exp((-98284.71224_pr)*R_T_inv + T_log *(2_pr)) k(r219f) = (91623.7524999066_pr)*exp((-197877.293322761_pr)*R_T_inv + T_log *(2_pr)) k(r220f) = (0.05921_pr)*exp((-56590.98488_pr)*R_T_inv + T_log *(2_pr)) k(r221f) = (0.1006_pr)*exp((-79364.32952_pr)*R_T_inv + T_log *(2_pr)) k(r222f) = (0.05921_pr)*exp((-57510.04232_pr)*R_T_inv + T_log *(2_pr)) k(r223f) = (0.06492_pr)*exp((-62800.794_pr)*R_T_inv + T_log *(2_pr)) k(r224f) = (3.195_pr)*exp((2086.51896_pr)*R_T_inv + T_log *(2_pr)) k(r225f) = (0.3122_pr)*exp((-31445.56328_pr)*R_T_inv + T_log *(2_pr)) k(r226f) = (0.1839_pr)*exp((-44038.98488_pr)*R_T_inv + T_log *(2_pr)) k(r227f) = (0.1925_pr)*exp((-77749.18_pr)*R_T_inv + T_log *(2_pr)) k(r228f) = (0.1083_pr)*exp((-48251.98_pr)*R_T_inv + T_log *(2_pr)) k(r229f) = (0.5426_pr)*exp((-31442.46712_pr)*R_T_inv + T_log *(2_pr)) k(r230f) = (0.216_pr)*exp((-75374.46712_pr)*R_T_inv + T_log *(2_pr)) k(r231f) = (0.216_pr)*exp((-30187.26712_pr)*R_T_inv + T_log *(2_pr)) k(r232f) = (0.272_pr)*exp((-77749.18_pr)*R_T_inv + T_log *(2_pr)) k(r233f) = (0.272_pr)*exp((-77749.18_pr)*R_T_inv + T_log *(2_pr)) k(r234f) = (968.785114151427_pr)*exp((-30967.9190480271_pr)*R_T_inv + T_log *(0.796193916825495_pr)) k(r235f) = (167576.041828788_pr)*exp((-182151.478282761_pr)*R_T_inv + T_log *(2_pr)) k(r236f) = (0.1083_pr)*exp((-39854.98488_pr)*R_T_inv + T_log *(2_pr)) k(r237f) = (0.1839_pr)*exp((-60774.98488_pr)*R_T_inv + T_log *(2_pr)) k(r238f) = (0.1083_pr)*exp((-40691.78488_pr)*R_T_inv + T_log *(2_pr)) k(r239f) = (0.1187_pr)*exp((-44904.78_pr)*R_T_inv + T_log *(2_pr)) k(r240f) = (0.7988_pr)*exp((7522.79016_pr)*R_T_inv + T_log *(2_pr)) k(r241f) = (0.07806_pr)*exp((-21170.2032_pr)*R_T_inv + T_log *(2_pr)) k(r242f) = (0.04597_pr)*exp((-32041.36488_pr)*R_T_inv + T_log *(2_pr)) k(r243f) = (0.04813_pr)*exp((-63267.89576_pr)*R_T_inv + T_log *(2_pr)) k(r244f) = (0.02707_pr)*exp((-27750.38_pr)*R_T_inv + T_log *(2_pr)) k(r245f) = (0.1357_pr)*exp((-21229.36496_pr)*R_T_inv + T_log *(2_pr)) k(r246f) = (0.05401_pr)*exp((-62480.59248_pr)*R_T_inv + T_log *(2_pr)) k(r247f) = (0.05401_pr)*exp((-20071.56848_pr)*R_T_inv + T_log *(2_pr)) k(r248f) = (0.06799_pr)*exp((-63267.89576_pr)*R_T_inv + T_log *(2_pr)) k(r249f) = (0.06799_pr)*exp((-63267.89576_pr)*R_T_inv + T_log *(2_pr)) k(r250f) = (242.241129700549_pr)*exp((-20789.9624880271_pr)*R_T_inv + T_log *(0.796193916825495_pr)) k(r251f) = (41901.7686072816_pr)*exp((-171143.416122761_pr)*R_T_inv + T_log *(2_pr)) k(r252f) = (0.02707_pr)*exp((-28139.78488_pr)*R_T_inv + T_log *(2_pr)) k(r253f) = (0.04597_pr)*exp((-47762.452_pr)*R_T_inv + T_log *(2_pr)) k(r254f) = (0.02707_pr)*exp((-28919.01304_pr)*R_T_inv + T_log *(2_pr)) k(r255f) = (0.02968_pr)*exp((-32271.15016_pr)*R_T_inv + T_log *(2_pr)) k(r256f) = (57.76_pr)*exp((-43507.49136_pr)*R_T_inv + T_log *(2_pr)) k(r257f) = (9.586_pr)*exp((-7012.00744_pr)*R_T_inv + T_log *(2_pr)) k(r258f) = (0.9367_pr)*exp((-47531.66256_pr)*R_T_inv + T_log *(2_pr)) k(r259f) = (0.5516_pr)*exp((-62463.85648_pr)*R_T_inv + T_log *(2_pr)) k(r260f) = (0.5776_pr)*exp((-99774.00704_pr)*R_T_inv + T_log *(2_pr)) k(r261f) = (0.3248_pr)*exp((-57383.26712_pr)*R_T_inv + T_log *(2_pr)) k(r262f) = (0.3248_pr)*exp((-67769.16848_pr)*R_T_inv + T_log *(2_pr)) k(r263f) = (1.628_pr)*exp((-47455.89032_pr)*R_T_inv + T_log *(2_pr)) k(r264f) = (0.8159_pr)*exp((-99774.00704_pr)*R_T_inv + T_log *(2_pr)) k(r265f) = (0.8159_pr)*exp((-99774.00704_pr)*R_T_inv + T_log *(2_pr)) k(r266f) = (2906.8038540812_pr)*exp((-46904.3984880271_pr)*R_T_inv + T_log *(0.796193916825495_pr)) k(r267f) = (502805.70698721_pr)*exp((-199056.721082761_pr)*R_T_inv + T_log *(2_pr)) k(r268f) = (0.3248_pr)*exp((-57846.18488_pr)*R_T_inv + T_log *(2_pr)) k(r269f) = (0.5516_pr)*exp((-80758.522_pr)*R_T_inv + T_log *(2_pr)) k(r270f) = (0.3248_pr)*exp((-58771.3928_pr)*R_T_inv + T_log *(2_pr)) k(r271f) = (0.3561_pr)*exp((-64092.14376_pr)*R_T_inv + T_log *(2_pr)) k(r272f) = (12.03_pr)*exp((-17582.67424_pr)*R_T_inv + T_log *(2_pr)) k(r273f) = (1.997_pr)*exp((1807.6972_pr)*R_T_inv + T_log *(2_pr)) k(r274f) = (0.1952_pr)*exp((-23502.90872_pr)*R_T_inv + T_log *(2_pr)) k(r275f) = (0.1149_pr)*exp((-32041.36488_pr)*R_T_inv + T_log *(2_pr)) k(r276f) = (0.1203_pr)*exp((-61635.00608_pr)*R_T_inv + T_log *(2_pr)) k(r277f) = (0.06767_pr)*exp((-27750.38_pr)*R_T_inv + T_log *(2_pr)) k(r278f) = (0.06767_pr)*exp((-33770.69576_pr)*R_T_inv + T_log *(2_pr)) k(r279f) = (0.3391_pr)*exp((-23737.00352_pr)*R_T_inv + T_log *(2_pr)) k(r280f) = (0.135_pr)*exp((-64988.23104_pr)*R_T_inv + T_log *(2_pr)) k(r281f) = (0.135_pr)*exp((-22579.20704_pr)*R_T_inv + T_log *(2_pr)) k(r282f) = (0.17_pr)*exp((-61635.00608_pr)*R_T_inv + T_log *(2_pr)) k(r283f) = (605.490696344642_pr)*exp((-23122.6680080271_pr)*R_T_inv + T_log *(0.796193916825495_pr)) k(r284f) = (104735.026142992_pr)*exp((-171143.416122761_pr)*R_T_inv + T_log *(2_pr)) k(r285f) = (0.06767_pr)*exp((-28139.78488_pr)*R_T_inv + T_log *(2_pr)) k(r286f) = (0.1149_pr)*exp((-47762.452_pr)*R_T_inv + T_log *(2_pr)) k(r287f) = (0.06767_pr)*exp((-28919.01304_pr)*R_T_inv + T_log *(2_pr)) k(r288f) = (0.0742_pr)*exp((-30638.30232_pr)*R_T_inv + T_log *(2_pr)) k(r289f) = (7.22_pr)*exp((-27302.98488_pr)*R_T_inv + T_log *(2_pr)) k(r290f) = (1.198_pr)*exp((1985.01512_pr)*R_T_inv + T_log *(2_pr)) k(r291f) = (0.1171_pr)*exp((-31486.98488_pr)*R_T_inv + T_log *(2_pr)) k(r292f) = (0.06895_pr)*exp((-44038.98488_pr)*R_T_inv + T_log *(2_pr)) k(r293f) = (0.0722_pr)*exp((-77720.18488_pr)*R_T_inv + T_log *(2_pr)) k(r294f) = (0.0406_pr)*exp((-39436.58488_pr)*R_T_inv + T_log *(2_pr)) k(r295f) = (0.0406_pr)*exp((-48222.98488_pr)*R_T_inv + T_log *(2_pr)) k(r296f) = (0.2035_pr)*exp((-31486.98488_pr)*R_T_inv + T_log *(2_pr)) k(r297f) = (0.08101_pr)*exp((-75418.98488_pr)*R_T_inv + T_log *(2_pr)) k(r298f) = (0.08101_pr)*exp((-30231.78488_pr)*R_T_inv + T_log *(2_pr)) k(r299f) = (0.102_pr)*exp((-77720.18488_pr)*R_T_inv + T_log *(2_pr)) k(r300f) = (0.102_pr)*exp((-77720.18488_pr)*R_T_inv + T_log *(2_pr)) k(r301f) = (363.339268969477_pr)*exp((-31009.3406480271_pr)*R_T_inv + T_log *(0.796193916825495_pr)) k(r302f) = (62848.7738358801_pr)*exp((-182151.478282761_pr)*R_T_inv + T_log *(2_pr)) k(r303f) = (0.06895_pr)*exp((-60774.98488_pr)*R_T_inv + T_log *(2_pr)) k(r304f) = (0.0406_pr)*exp((-40691.78488_pr)*R_T_inv + T_log *(2_pr)) k(r305f) = (0.04452_pr)*exp((-44875.78488_pr)*R_T_inv + T_log *(2_pr)) k(r306f) = (14.44_pr)*exp((-17582.67424_pr)*R_T_inv + T_log *(2_pr)) k(r307f) = (2.396_pr)*exp((1807.6972_pr)*R_T_inv + T_log *(2_pr)) k(r308f) = (0.2342_pr)*exp((-23502.90872_pr)*R_T_inv + T_log *(2_pr)) k(r309f) = (0.1379_pr)*exp((-32041.36488_pr)*R_T_inv + T_log *(2_pr)) k(r310f) = (0.1444_pr)*exp((-61635.00608_pr)*R_T_inv + T_log *(2_pr)) k(r311f) = (0.0812_pr)*exp((-27750.38_pr)*R_T_inv + T_log *(2_pr)) k(r312f) = (0.0812_pr)*exp((-33770.69576_pr)*R_T_inv + T_log *(2_pr)) k(r313f) = (0.407_pr)*exp((-23737.00352_pr)*R_T_inv + T_log *(2_pr)) k(r314f) = (0.162_pr)*exp((-64988.23104_pr)*R_T_inv + T_log *(2_pr)) k(r315f) = (0.162_pr)*exp((-22579.20704_pr)*R_T_inv + T_log *(2_pr)) k(r316f) = (0.204_pr)*exp((-61635.00608_pr)*R_T_inv + T_log *(2_pr)) k(r317f) = (726.58883561357_pr)*exp((-23122.6680080271_pr)*R_T_inv + T_log *(0.796193916825495_pr)) k(r318f) = (125682.031371591_pr)*exp((-171143.416122761_pr)*R_T_inv + T_log *(2_pr)) k(r319f) = (0.0812_pr)*exp((-28139.78488_pr)*R_T_inv + T_log *(2_pr)) k(r320f) = (0.1379_pr)*exp((-47762.452_pr)*R_T_inv + T_log *(2_pr)) k(r321f) = (0.0812_pr)*exp((-28919.01304_pr)*R_T_inv + T_log *(2_pr)) k(r322f) = (0.08904_pr)*exp((-30638.30232_pr)*R_T_inv + T_log *(2_pr)) k(r323f) = (0.3903_pr)*exp((-64291.80424_pr)*R_T_inv + T_log *(2_pr)) k(r324f) = (0.2298_pr)*exp((-86030.5712_pr)*R_T_inv + T_log *(2_pr)) k(r325f) = (0.2407_pr)*exp((-130615.9028_pr)*R_T_inv + T_log *(2_pr)) k(r326f) = (0.1353_pr)*exp((-80338.28104_pr)*R_T_inv + T_log *(2_pr)) k(r327f) = (0.1353_pr)*exp((-95403.60984_pr)*R_T_inv + T_log *(2_pr)) k(r328f) = (0.27_pr)*exp((-62240.80744_pr)*R_T_inv + T_log *(2_pr)) k(r329f) = (0.3399_pr)*exp((-130615.9028_pr)*R_T_inv + T_log *(2_pr)) k(r330f) = (0.3399_pr)*exp((-130615.9028_pr)*R_T_inv + T_log *(2_pr)) k(r331f) = (1210.98139268928_pr)*exp((-63473.1640080271_pr)*R_T_inv + T_log *(0.796193916825495_pr)) k(r332f) = (209470.052285985_pr)*exp((-220679.716762761_pr)*R_T_inv + T_log *(2_pr)) k(r333f) = (0.1353_pr)*exp((-80858.18488_pr)*R_T_inv + T_log *(2_pr)) k(r334f) = (0.2298_pr)*exp((-106318.91272_pr)*R_T_inv + T_log *(2_pr)) k(r335f) = (0.1353_pr)*exp((-81896.48632_pr)*R_T_inv + T_log *(2_pr)) k(r336f) = (0.1484_pr)*exp((-91304.62872_pr)*R_T_inv + T_log *(2_pr)) k(r337f) = (7.22_pr)*exp((-27928.49288_pr)*R_T_inv + T_log *(2_pr)) k(r338f) = (1.198_pr)*exp((-2555.71272_pr)*R_T_inv + T_log *(2_pr)) k(r339f) = (0.1171_pr)*exp((-33340.32952_pr)*R_T_inv + T_log *(2_pr)) k(r340f) = (0.06895_pr)*exp((-44038.98488_pr)*R_T_inv + T_log *(2_pr)) k(r341f) = (0.0722_pr)*exp((-76422.852_pr)*R_T_inv + T_log *(2_pr)) k(r342f) = (0.0406_pr)*exp((-39436.58488_pr)*R_T_inv + T_log *(2_pr)) k(r343f) = (0.0406_pr)*exp((-46925.652_pr)*R_T_inv + T_log *(2_pr)) k(r344f) = (0.2035_pr)*exp((-33479.322_pr)*R_T_inv + T_log *(2_pr)) k(r345f) = (0.08101_pr)*exp((-77411.322_pr)*R_T_inv + T_log *(2_pr)) k(r346f) = (0.08101_pr)*exp((-32224.122_pr)*R_T_inv + T_log *(2_pr)) k(r347f) = (0.102_pr)*exp((-76422.852_pr)*R_T_inv + T_log *(2_pr)) k(r348f) = (0.102_pr)*exp((-76422.852_pr)*R_T_inv + T_log *(2_pr)) k(r349f) = (363.339268969477_pr)*exp((-32862.6852880271_pr)*R_T_inv + T_log *(0.796193916825495_pr)) k(r350f) = (62848.7738358801_pr)*exp((-182151.478282761_pr)*R_T_inv + T_log *(2_pr)) k(r351f) = (0.0406_pr)*exp((-39854.98488_pr)*R_T_inv + T_log *(2_pr)) k(r352f) = (0.0406_pr)*exp((-40691.78488_pr)*R_T_inv + T_log *(2_pr)) k(r353f) = (0.04452_pr)*exp((-43578.452_pr)*R_T_inv + T_log *(2_pr)) k(r354f) = (1.379_pr)*exp((-62463.85648_pr)*R_T_inv + T_log *(2_pr)) k(r355f) = (1.444_pr)*exp((-96995.83104_pr)*R_T_inv + T_log *(2_pr)) k(r356f) = (0.812_pr)*exp((-57383.26712_pr)*R_T_inv + T_log *(2_pr)) k(r357f) = (0.812_pr)*exp((-64990.99248_pr)*R_T_inv + T_log *(2_pr)) k(r358f) = (4.07_pr)*exp((-51722.35696_pr)*R_T_inv + T_log *(2_pr)) k(r359f) = (1.62_pr)*exp((-99771.2456_pr)*R_T_inv + T_log *(2_pr)) k(r360f) = (1.62_pr)*exp((-50317.57896_pr)*R_T_inv + T_log *(2_pr)) k(r361f) = (2.04_pr)*exp((-96995.83104_pr)*R_T_inv + T_log *(2_pr)) k(r362f) = (2.04_pr)*exp((-96995.83104_pr)*R_T_inv + T_log *(2_pr)) k(r363f) = (1256820.31371591_pr)*exp((-199056.721082761_pr)*R_T_inv + T_log *(2_pr)) k(r364f) = (0.812_pr)*exp((-57846.18488_pr)*R_T_inv + T_log *(2_pr)) k(r365f) = (1.379_pr)*exp((-80758.522_pr)*R_T_inv + T_log *(2_pr)) k(r366f) = (0.812_pr)*exp((-58771.3928_pr)*R_T_inv + T_log *(2_pr)) k(r367f) = (0.8904_pr)*exp((-61313.96776_pr)*R_T_inv + T_log *(2_pr)) k(r368f) = (1.379_pr)*exp((-62463.85648_pr)*R_T_inv + T_log *(2_pr)) k(r369f) = (1.444_pr)*exp((-96995.83104_pr)*R_T_inv + T_log *(2_pr)) k(r370f) = (0.812_pr)*exp((-57383.26712_pr)*R_T_inv + T_log *(2_pr)) k(r371f) = (0.812_pr)*exp((-64990.99248_pr)*R_T_inv + T_log *(2_pr)) k(r372f) = (4.07_pr)*exp((-51722.35696_pr)*R_T_inv + T_log *(2_pr)) k(r373f) = (1.62_pr)*exp((-50317.57896_pr)*R_T_inv + T_log *(2_pr)) k(r374f) = (2.04_pr)*exp((-96995.83104_pr)*R_T_inv + T_log *(2_pr)) k(r375f) = (2.04_pr)*exp((-96995.83104_pr)*R_T_inv + T_log *(2_pr)) k(r376f) = (7265.8883561357_pr)*exp((-50873.2153680271_pr)*R_T_inv + T_log *(0.796193916825495_pr)) k(r377f) = (1256820.31371591_pr)*exp((-199056.721082761_pr)*R_T_inv + T_log *(2_pr)) k(r378f) = (0.812_pr)*exp((-57846.18488_pr)*R_T_inv + T_log *(2_pr)) k(r379f) = (1.379_pr)*exp((-80758.522_pr)*R_T_inv + T_log *(2_pr)) k(r380f) = (0.812_pr)*exp((-58771.3928_pr)*R_T_inv + T_log *(2_pr)) k(r381f) = (0.8904_pr)*exp((-61313.96776_pr)*R_T_inv + T_log *(2_pr)) k(r382f) = (2.396_pr)*exp((1783.51368_pr)*R_T_inv + T_log *(2_pr)) k(r383f) = (0.2342_pr)*exp((-31569.24232_pr)*R_T_inv + T_log *(2_pr)) k(r384f) = (0.1379_pr)*exp((-44038.98488_pr)*R_T_inv + T_log *(2_pr)) k(r385f) = (0.1444_pr)*exp((-77662.61304_pr)*R_T_inv + T_log *(2_pr)) k(r386f) = (0.0812_pr)*exp((-39436.58488_pr)*R_T_inv + T_log *(2_pr)) k(r387f) = (0.0812_pr)*exp((-48165.41304_pr)*R_T_inv + T_log *(2_pr)) k(r388f) = (0.407_pr)*exp((-31575.3928_pr)*R_T_inv + T_log *(2_pr)) k(r389f) = (0.162_pr)*exp((-75507.3928_pr)*R_T_inv + T_log *(2_pr)) k(r390f) = (0.162_pr)*exp((-30320.1928_pr)*R_T_inv + T_log *(2_pr)) k(r391f) = (0.204_pr)*exp((-77662.61304_pr)*R_T_inv + T_log *(2_pr)) k(r392f) = (0.204_pr)*exp((-77662.61304_pr)*R_T_inv + T_log *(2_pr)) k(r393f) = (726.58883561357_pr)*exp((-31091.5980880271_pr)*R_T_inv + T_log *(0.796193916825495_pr)) k(r394f) = (125682.031371591_pr)*exp((-182151.478282761_pr)*R_T_inv + T_log *(2_pr)) k(r395f) = (0.0812_pr)*exp((-39854.98488_pr)*R_T_inv + T_log *(2_pr)) k(r396f) = (0.1379_pr)*exp((-60774.98488_pr)*R_T_inv + T_log *(2_pr)) k(r397f) = (0.08904_pr)*exp((-44818.21304_pr)*R_T_inv + T_log *(2_pr)) k(r398f) = (1.598_pr)*exp((8274.57128_pr)*R_T_inv + T_log *(2_pr)) k(r399f) = (0.1561_pr)*exp((-20863.34864_pr)*R_T_inv + T_log *(2_pr)) k(r400f) = (0.09193_pr)*exp((-32041.36488_pr)*R_T_inv + T_log *(2_pr)) k(r401f) = (0.09627_pr)*exp((-63482.70232_pr)*R_T_inv + T_log *(2_pr)) k(r402f) = (0.05413_pr)*exp((-27750.38_pr)*R_T_inv + T_log *(2_pr)) k(r403f) = (0.05413_pr)*exp((-35618.35016_pr)*R_T_inv + T_log *(2_pr)) k(r404f) = (0.2713_pr)*exp((-20899.4984_pr)*R_T_inv + T_log *(2_pr)) k(r405f) = (0.108_pr)*exp((-62150.76776_pr)*R_T_inv + T_log *(2_pr)) k(r406f) = (0.108_pr)*exp((-19741.74376_pr)*R_T_inv + T_log *(2_pr)) k(r407f) = (0.136_pr)*exp((-63482.70232_pr)*R_T_inv + T_log *(2_pr)) k(r408f) = (0.136_pr)*exp((-63482.70232_pr)*R_T_inv + T_log *(2_pr)) k(r409f) = (484.392557075713_pr)*exp((-20483.1497680271_pr)*R_T_inv + T_log *(0.796193916825495_pr)) k(r410f) = (83788.0209143939_pr)*exp((-171143.416122761_pr)*R_T_inv + T_log *(2_pr)) k(r411f) = (0.05413_pr)*exp((-28139.78488_pr)*R_T_inv + T_log *(2_pr)) k(r412f) = (0.09193_pr)*exp((-47762.452_pr)*R_T_inv + T_log *(2_pr)) k(r413f) = (0.05413_pr)*exp((-28919.01304_pr)*R_T_inv + T_log *(2_pr)) k(r1b) = (418.700639897895_pr)*exp((30979.7182648901_pr)*R_T_inv + T_log *(-0.32653888336906_pr)) k(r2b) = (7.12639536073775e+16_pr)*exp((-494864.723011842_pr)*R_T_inv + T_log *(-1.70601584780981_pr)) k_0(FOr3b) = (1.02690253792356e+19_pr)*exp((-437679.420782411_pr)*R_T_inv + T_log *(-1.55640171621422_pr)) k_inf(FOr3b) = (1.92544223389782e+16_pr)*exp((-437679.420773449_pr)*R_T_inv + T_log *(-0.156401714542773_pr)) FC(FOr3b) = ((1.0_pr - 0.45_pr)*exp(-Tloc/(797_pr))) + (0.45_pr*exp(-Tloc/(979_pr)))& + exp(-(1_pr)/Tloc) k(r3b) = getlindratecoeff(Tloc,k_0(FOr3b),k_inf(FOr3b),FC(FOr3b), M(mM3),Ploc) k_0(FOr4b) = (2.33396874365701e+35_pr)*exp((-373940.431000222_pr)*R_T_inv + T_log *(-6.05404325307077_pr)) k_inf(FOr4b) = (2.50425829536754e+20_pr)*exp((-378961.230995734_pr)*R_T_inv + T_log *(-1.02404325241078_pr)) FC(FOr4b) = ((1.0_pr - 0.38_pr)*exp(-Tloc/(73_pr))) + (0.38_pr*exp(-Tloc/(1180_pr))) k(r4b) = getlindratecoeff(Tloc,k_0(FOr4b),k_inf(FOr4b),FC(FOr4b), M(mM4),Ploc) k_0(FOr5b) = (8.07671729838403e+38_pr)*exp((-446879.080361752_pr)*R_T_inv + T_log *(-7.44384078100727_pr)) k_inf(FOr5b) = (2.11455747815748e+21_pr)*exp((-425519.760304259_pr)*R_T_inv + T_log *(-1.35384077080365_pr)) FC(FOr5b) = ((1.0_pr - 0.8422_pr)*exp(-Tloc/(125_pr))) + (0.8422_pr*exp(-Tloc/(2219_pr)))& + exp(-(6882_pr)/Tloc) k(r5b) = getlindratecoeff(Tloc,k_0(FOr5b),k_inf(FOr5b),FC(FOr5b), M(mM5),Ploc) k(r6b) = (54587.329633804_pr)*exp((-179994.252417783_pr)*R_T_inv + T_log *(1.03389144731545_pr)) k_0(FOr7b) = (7.83504117360934e+53_pr)*exp((-384437.328426216_pr)*R_T_inv + T_log *(-11.2054855708216_pr)) k_inf(FOr7b) = (58910081680886.8_pr)*exp((-359468.053197589_pr)*R_T_inv + T_log *(0.794514434330109_pr)) FC(FOr7b) = ((1.0_pr - 0.02_pr)*exp(-Tloc/(1097_pr))) + (0.02_pr*exp(-Tloc/(10970_pr)))& + exp(-(6860_pr)/Tloc) k(r7b) = getlindratecoeff(Tloc,k_0(FOr7b),k_inf(FOr7b),FC(FOr7b), M(mM7),Ploc) k_0(FOr8b) = (6.62693111881404e+65_pr)*exp((-396188.076251446_pr)*R_T_inv + T_log *(-15.2453750940007_pr)) k_inf(FOr8b) = (9.35566728949499e+24_pr)*exp((-371084.076238164_pr)*R_T_inv + T_log *(-2.3253750915958_pr)) FC(FOr8b) = ((1.0_pr - 1_pr)*exp(-Tloc/(1000_pr))) + (1_pr*exp(-Tloc/(1434_pr)))& + exp(-(5329_pr)/Tloc) k(r8b) = getlindratecoeff(Tloc,k_0(FOr8b),k_inf(FOr8b),FC(FOr8b), M(mM8),Ploc) k(r9b) = (2.23766469720805e+16_pr)*exp((-416448.631173156_pr)*R_T_inv + T_log *(-0.0491885487807173_pr)) k_0(FOr10b) = (1.55347350422167e+54_pr)*exp((-449115.695972008_pr)*R_T_inv + T_log *(-12.0800184337942_pr)) k_inf(FOr10b) = (2.19276386830203e+15_pr)*exp((-401988.250659051_pr)*R_T_inv + T_log *(3.80724569273329e-06_pr)) FC(FOr10b) = ((1.0_pr - 0.649_pr)*exp(-Tloc/(1213_pr))) + (0.649_pr*exp(-Tloc/(1213_pr)))& + exp(-(13370_pr)/Tloc) k(r10b) = getlindratecoeff(Tloc,k_0(FOr10b),k_inf(FOr10b),FC(FOr10b), M(mM10),Ploc) k_0(FOr11b) = (6.80229171718796e+37_pr)*exp((-234246.431121358_pr)*R_T_inv + T_log *(-9.35713858503588_pr)) k_inf(FOr11b) = (344419.852752277_pr)*exp((-196464.91116073_pr)*R_T_inv + T_log *(0.382861407777358_pr)) FC(FOr11b) = ((1.0_pr - 0.7345_pr)*exp(-Tloc/(180_pr))) + (0.7345_pr*exp(-Tloc/(1035_pr)))& + exp(-(5417_pr)/Tloc) k(r11b) = getlindratecoeff(Tloc,k_0(FOr11b),k_inf(FOr11b),FC(FOr11b), M(mM11),Ploc) k_0(FOr12b) = (8.13523488692718e+26_pr)*exp((-465382.019507727_pr)*R_T_inv + T_log *(-4.10733122978316_pr)) k_inf(FOr12b) = (3.53301975681052e+15_pr)*exp((-452662.660220655_pr)*R_T_inv + T_log *(0.0226686427891391_pr)) FC(FOr12b) = ((1.0_pr - 0.782_pr)*exp(-Tloc/(207.5_pr))) + (0.782_pr*exp(-Tloc/(2663_pr)))& + exp(-(6095_pr)/Tloc) k(r12b) = getlindratecoeff(Tloc,k_0(FOr12b),k_inf(FOr12b),FC(FOr12b), M(mM12),Ploc) k_0(FOr13b) = (1.24355815992463e+29_pr)*exp((-374880.783215896_pr)*R_T_inv + T_log *(-4.63259602430724_pr)) k_inf(FOr13b) = (3.55302334202097e+18_pr)*exp((-366889.34322125_pr)*R_T_inv + T_log *(-0.532596025345534_pr)) FC(FOr13b) = ((1.0_pr - 0.709_pr)*exp(-Tloc/(134_pr))) + (0.709_pr*exp(-Tloc/(1784_pr)))& + exp(-(5740_pr)/Tloc) k(r13b) = getlindratecoeff(Tloc,k_0(FOr13b),k_inf(FOr13b),FC(FOr13b), M(mM13),Ploc) k_0(FOr14b) = (3.56449281613714e+28_pr)*exp((-388112.959194078_pr)*R_T_inv + T_log *(-4.56699456033461_pr)) k_inf(FOr14b) = (1.01842628865975e+18_pr)*exp((-380121.519029448_pr)*R_T_inv + T_log *(-0.466994530940189_pr)) FC(FOr14b) = ((1.0_pr - 0.709_pr)*exp(-Tloc/(134_pr))) + (0.709_pr*exp(-Tloc/(1784_pr)))& + exp(-(5740_pr)/Tloc) k(r14b) = getlindratecoeff(Tloc,k_0(FOr14b),k_inf(FOr14b),FC(FOr14b), M(mM14),Ploc) k_0(FOr15b) = (2.46877470821014e+61_pr)*exp((-456132.570629286_pr)*R_T_inv + T_log *(-13.4661359744241_pr)) k_inf(FOr15b) = (1.44541835961611e+22_pr)*exp((-415254.890584966_pr)*R_T_inv + T_log *(-1.5261359665299_pr)) FC(FOr15b) = ((1.0_pr - 0.175_pr)*exp(-Tloc/(1341_pr))) + (0.175_pr*exp(-Tloc/(60000_pr)))& + exp(-(10140_pr)/Tloc) k(r15b) = getlindratecoeff(Tloc,k_0(FOr15b),k_inf(FOr15b),FC(FOr15b), M(mM15),Ploc) k_0(FOr16b) = (3.43550026036427e+61_pr)*exp((-446104.639538494_pr)*R_T_inv + T_log *(-14.1363580826787_pr)) k_inf(FOr16b) = (3.32467765378003e+24_pr)*exp((-408513.90993473_pr)*R_T_inv + T_log *(-2.34635808199282_pr)) FC(FOr16b) = ((1.0_pr - 0.198_pr)*exp(-Tloc/(2278_pr))) + (0.198_pr*exp(-Tloc/(60000_pr)))& + exp(-(5723_pr)/Tloc) k(r16b) = getlindratecoeff(Tloc,k_0(FOr16b),k_inf(FOr16b),FC(FOr16b), M(mM16),Ploc) k(r17b) = (35882.1420616314_pr)*exp((-13572.7368598865_pr)*R_T_inv + T_log *(0.685910145174778_pr)) k_0(FOr18b) = (2.90505623942475e+54_pr)*exp((-375584.164208339_pr)*R_T_inv + T_log *(-11.7044100938115_pr)) k_inf(FOr18b) = (109212614445322_pr)*exp((-350614.888834412_pr)*R_T_inv + T_log *(0.295589937308064_pr)) FC(FOr18b) = ((1.0_pr - 0.02_pr)*exp(-Tloc/(1097_pr))) + (0.02_pr*exp(-Tloc/(10970_pr)))& + exp(-(6860_pr)/Tloc) k(r18b) = getlindratecoeff(Tloc,k_0(FOr18b),k_inf(FOr18b),FC(FOr18b), M(mM18),Ploc) k(r19b) = (3543089752111.86_pr)*exp((-20381.702325202_pr)*R_T_inv + T_log *(-1.46536068594551_pr)) k(r20b) = (3.2755647508202e+15_pr)*exp((-42947.8316137861_pr)*R_T_inv + T_log *(-2.44391028044862_pr)) k(r21b) = (0.0033721928926209_pr)*exp((-8687.6650417772_pr)*R_T_inv + T_log *(2.49227942043424_pr)) k(r22b) = (9.61090685787936e+17_pr)*exp((-289417.754554053_pr)*R_T_inv + T_log *(-1.50491928816284_pr)) k(r23b) = (787193.223149118_pr)*exp((-220365.559495143_pr)*R_T_inv + T_log *(0.344879178354066_pr)) k(r24b) = (750518556.620469_pr)*exp((-276542.370550269_pr)*R_T_inv + T_log *(-0.304469800767786_pr)) k(r25b) = (38699510.7690484_pr)*exp((9522.17709208955_pr)*R_T_inv + T_log *(-0.101724845768359_pr)) k(r28b) = (20093167845.6705_pr)*exp((-281239.169188498_pr)*R_T_inv + T_log *(-0.387410421998399_pr)) k(r33b) = (2.61272147985282_pr)*exp((-292818.804395707_pr)*R_T_inv + T_log *(2.24494821770808_pr)) k(r34b) = (23532.049491554_pr)*exp((-289225.318795444_pr)*R_T_inv + T_log *(1.08490804556459_pr)) k(r35b) = (524.5407048513_pr)*exp((11428.7887431271_pr)*R_T_inv + T_log *(0.994849482352668_pr)) k(r36b) = (722772.077173024_pr)*exp((7216.60158853646_pr)*R_T_inv + T_log *(-0.163505731289003_pr)) k(r37b) = (85128.6652968485_pr)*exp((834.694445733448_pr)*R_T_inv + T_log *(0.472145288405219_pr)) k(r38b) = (10111483.086977_pr)*exp((-7926.79186180594_pr)*R_T_inv + T_log *(-0.569700375176713_pr)) k(r47b) = (576568805.615265_pr)*exp((3734.59598952072_pr)*R_T_inv + T_log *(-1.02123485352781_pr)) k(r48b) = (1.72727208604473e+53_pr)*exp((-365842.959953305_pr)*R_T_inv + T_log *(-12.1143985315316_pr)) k_0(FOr49b) = (415140982.982556_pr)*exp((-154097.211613388_pr)*R_T_inv + T_log *(0.631008702262352_pr)) k_inf(FOr49b) = (106446402463.238_pr)*exp((-168029.931589869_pr)*R_T_inv + T_log *(0.631008706449389_pr)) k(r49b) = getlindratecoeff(Tloc,k_0(FOr49b),k_inf(FOr49b),1.0_pr, M(mM49),Ploc) k_0(FOr50b) = (474061274975.222_pr)*exp((-155977.325063102_pr)*R_T_inv + T_log *(0.224814058468624_pr)) k_inf(FOr50b) = (1824105401631.21_pr)*exp((-160328.685087344_pr)*R_T_inv + T_log *(0.22481405411987_pr)) FC(FOr50b) = ((1.0_pr - 1_pr)*exp(-Tloc/(1e-15_pr))) + (1_pr*exp(-Tloc/(95_pr)))& + exp(-(200_pr)/Tloc) k(r50b) = getlindratecoeff(Tloc,k_0(FOr50b),k_inf(FOr50b),FC(FOr50b), M(mM50),Ploc) k_0(FOr51b) = (6.25727135195251e+33_pr)*exp((-159902.53978317_pr)*R_T_inv + T_log *(-7.44794228866324_pr)) k_inf(FOr51b) = (4813285812614.97_pr)*exp((-140752.371806989_pr)*R_T_inv + T_log *(-0.177942292909103_pr)) k(r51b) = getlindratecoeff(Tloc,k_0(FOr51b),k_inf(FOr51b),1.0_pr, M(mM51),Ploc) k_0(FOr52b) = (4.99774826300176e+29_pr)*exp((-271598.801809528_pr)*R_T_inv + T_log *(-5.7073525572355_pr)) k_inf(FOr52b) = (10595927785180.8_pr)*exp((-265569.657471017_pr)*R_T_inv + T_log *(-0.0173524967753623_pr)) k(r52b) = getlindratecoeff(Tloc,k_0(FOr52b),k_inf(FOr52b),1.0_pr, M(mM52),Ploc) k_0(FOr53b) = (2.35604126276013e+27_pr)*exp((-164226.979746877_pr)*R_T_inv + T_log *(-5.11234082206217_pr)) k_inf(FOr53b) = (1802052827046.4_pr)*exp((-153984.547603468_pr)*R_T_inv + T_log *(-0.112340796452002_pr)) k(r53b) = getlindratecoeff(Tloc,k_0(FOr53b),k_inf(FOr53b),1.0_pr, M(mM53),Ploc) k(r54b) = (3571961.3355504_pr)*exp((-54914.2887475127_pr)*R_T_inv + T_log *(-0.109176105083885_pr)) k(r55b) = (5.39671095367403e+25_pr)*exp((-572070.77870627_pr)*R_T_inv + T_log *(-1.2809218981926_pr)) k(r56b) = (37025271402433.7_pr)*exp((-149120.371726854_pr)*R_T_inv + T_log *(-0.177942278584527_pr)) k(r57b) = (617861674.820057_pr)*exp((-206056.426444221_pr)*R_T_inv + T_log *(1.09462996701425_pr)) k(r58b) = (4526434.47233417_pr)*exp((-14711.604934024_pr)*R_T_inv + T_log *(0.321737865141025_pr)) k(r59b) = (408375714568.843_pr)*exp((-161267.743995236_pr)*R_T_inv + T_log *(0.0491701185767253_pr)) k(r60b) = (4.45599648789442_pr)*exp((-27752.1098878131_pr)*R_T_inv + T_log *(1.55137247872864_pr)) k(r61b) = (4433597.99324834_pr)*exp((-22895.8609225334_pr)*R_T_inv + T_log *(0.27256774945915_pr)) k(r62b) = (29455.5594471239_pr)*exp((-40338.6965639483_pr)*R_T_inv + T_log *(0.758369156185472_pr)) k(r63b) = (34535143.2025942_pr)*exp((-19810.036841356_pr)*R_T_inv + T_log *(0.28120595899214_pr)) k(r64b) = (18128826636765.1_pr)*exp((-217915.380740639_pr)*R_T_inv + T_log *(-0.128249528124765_pr)) k(r65b) = (0.0173355507581085_pr)*exp((-16883.9147151146_pr)*R_T_inv + T_log *(2.28888440802617_pr)) k(r66b) = (12521634.1354508_pr)*exp((-32709.4176782456_pr)*R_T_inv + T_log *(0.152956413678047_pr)) k(r68b) = (0.000122216951910785_pr)*exp((-9734.03189986158_pr)*R_T_inv + T_log *(2.90885321196644_pr)) k(r69b) = (345529638696.139_pr)*exp((-18628.1905734005_pr)*R_T_inv + T_log *(-0.660202460456301_pr)) k(r70b) = (49072.0213391209_pr)*exp((-79539.4054043505_pr)*R_T_inv + T_log *(1.37934959618088_pr)) k(r71b) = (5.89741055191502e-06_pr)*exp((-31713.1048283357_pr)*R_T_inv + T_log *(3.41668767770677_pr)) k(r89b) = (19100.028725938_pr)*exp((-159637.136801569_pr)*R_T_inv + T_log *(0.465565612795451_pr)) k(r90b) = (92150.1711432488_pr)*exp((-146878.199205491_pr)*R_T_inv + T_log *(0.23937701558639_pr)) k(r91b) = (26413.6095361356_pr)*exp((-160110.375125765_pr)*R_T_inv + T_log *(0.30497849000685_pr)) k(r92b) = (13190.8416553463_pr)*exp((-167041.85195304_pr)*R_T_inv + T_log *(0.648295195584218_pr)) k(r93b) = (2.09203228524492e+17_pr)*exp((-327836.883128456_pr)*R_T_inv + T_log *(-1.10290156047798_pr)) k(r94b) = (1052615.14277896_pr)*exp((-181673.770104686_pr)*R_T_inv + T_log *(0.312154934895535_pr)) k(r95b) = (3.93090795961146e+17_pr)*exp((-275883.215494032_pr)*R_T_inv + T_log *(-1.87421279444321_pr)) k(r96b) = (285280.27740531_pr)*exp((-167367.458833717_pr)*R_T_inv + T_log *(-0.201619837059538_pr)) k(r100b) = (621161689.596709_pr)*exp((-299942.248671699_pr)*R_T_inv + T_log *(-0.142004407855798_pr)) k(r105b) = (94296372430.9855_pr)*exp((-13144.6315633757_pr)*R_T_inv + T_log *(-1.28650571469291_pr)) k(r106b) = (4.52044921834736_pr)*exp((-91087.3690290153_pr)*R_T_inv + T_log *(1.53202445594049_pr)) k(r107b) = (54506.1289024834_pr)*exp((-68477.5835134969_pr)*R_T_inv + T_log *(0.541315380326721_pr)) k(r108b) = (0.37475132043283_pr)*exp((-88331.2390190665_pr)*R_T_inv + T_log *(2.05913491311201_pr)) k(r109b) = (0.891433405680122_pr)*exp((-133477.339063347_pr)*R_T_inv + T_log *(2.02658030558914_pr)) k(r110b) = (0.261481848051646_pr)*exp((-75099.063074908_pr)*R_T_inv + T_log *(1.99353344298059_pr)) k(r111b) = (1.24399255414333_pr)*exp((-120245.163977406_pr)*R_T_inv + T_log *(1.96097868427861_pr)) k(r112b) = (3.49761944413333e-06_pr)*exp((-82306.261632492_pr)*R_T_inv + T_log *(3.41059283620434_pr)) k(r113b) = (18063889.5973454_pr)*exp((-139052.037705633_pr)*R_T_inv + T_log *(-0.0238057167435117_pr)) k(r114b) = (8071.51477055965_pr)*exp((-17613.899193568_pr)*R_T_inv + T_log *(1.03255474178866_pr)) k(r115b) = (0.497901650896935_pr)*exp((-37143.2020287512_pr)*R_T_inv + T_log *(2.08294050348568_pr)) k(r116b) = (9382.64882340023_pr)*exp((-58005.5818815662_pr)*R_T_inv + T_log *(0.690379668261717_pr)) k(r117b) = (75570.0892234335_pr)*exp((-60465.9910695623_pr)*R_T_inv + T_log *(0.375727439193656_pr)) k(r118b) = (93253.7543922106_pr)*exp((-64047.847149064_pr)*R_T_inv + T_log *(0.326557307153267_pr)) k(r121b) = (4.25530500275297e+16_pr)*exp((-415500.967092419_pr)*R_T_inv + T_log *(-0.187678235590304_pr)) k(r122b) = (7.56232783063378e+16_pr)*exp((-402574.613373707_pr)*R_T_inv + T_log *(-0.327023249760586_pr)) k(r123b) = (0.0012420395442547_pr)*exp((17958.6660476113_pr)*R_T_inv + T_log *(2.75040695554919_pr)) k(r124b) = (0.00683798547899473_pr)*exp((-24289.8559296036_pr)*R_T_inv + T_log *(2.33791467078461_pr)) k(r125b) = (1956165.78488625_pr)*exp((-16876.6263512239_pr)*R_T_inv + T_log *(0.238887819615207_pr)) k(r126b) = (562697750601.446_pr)*exp((-157274.353693947_pr)*R_T_inv + T_log *(0.139345018532055_pr)) k(r127b) = (6.12374655561816_pr)*exp((-25535.0626949621_pr)*R_T_inv + T_log *(1.57996738394946_pr)) k(r128b) = (6952810.37684121_pr)*exp((-13573.472506703_pr)*R_T_inv + T_log *(0.099542828017128_pr)) k(r129b) = (0.806311401365746_pr)*exp((-27386.3609104442_pr)*R_T_inv + T_log *(1.82002480537785_pr)) k(r130b) = (4027115.84937916_pr)*exp((-16598.2036328053_pr)*R_T_inv + T_log *(0.289370410454554_pr)) k(r134b) = (2040.30447605918_pr)*exp((-170338.281566626_pr)*R_T_inv + T_log *(0.753104930950074_pr)) k(r135b) = (29725.8412766681_pr)*exp((-61413.6551660327_pr)*R_T_inv + T_log *(0.514217120129066_pr)) k(r136b) = (11180.4547179744_pr)*exp((-63461.6088825114_pr)*R_T_inv + T_log *(0.653562134638527_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) * m(mM1) w(r2f) = k(r2f) * c(sH) * cqss(sqssOH) * m(mM2) w(r3f) = k(r3f) * c(sCH3) * c(sH) w(r4f) = k(r4f) * c(sCH3)**2.0_pr w(r5f) = k(r5f) * c(sC2H5) * c(sH) w(r6f) = k(r6f) * c(sCH2CHCH2) * c(sH) w(r7f) = k(r7f) * c(sCH2CHCH2) * c(sH) w(r8f) = k(r8f) * c(sC2H5) * c(sCH3) w(r9f) = k(r9f) * c(sH) * cqss(sqssNC3H7) w(r10f) = k(r10f) * c(sH) * cqss(sqssIC3H7) w(r11f) = k(r11f) * c(sC2H4) w(r12f) = k(r12f) * cqss(sqssC2H3) * c(sH) w(r13f) = k(r13f) * c(sC3H3) * c(sH) w(r14f) = k(r14f) * c(sC3H3) * c(sH) w(r15f) = k(r15f) * cqss(sqssC2H3) * c(sCH3) w(r16f) = k(r16f) * cqss(sqssC2H3) * c(sC2H5) w(r17f) = k(r17f) * c(sNC4H8) w(r18f) = k(r18f) * c(sH) * c(sSC4H7) w(r19f) = k(r19f) * c(sIC4H8) w(r20f) = k(r20f) * c(sC2H2) * cqss(sqssC2H3) w(r21f) = k(r21f) * cqss(sqssC4H5) w(r22f) = k(r22f) * c(sC2H2) * c(sC2H4) w(r23f) = k(r23f) * c(sC4H6) w(r24f) = k(r24f) * cqss(sqssC2H3) * c(sH) w(r25f) = k(r25f) * c(sC2H4) * c(sH2) w(r26f) = k(r26f) * c(sCH3) * cqss(sqssIC3H7) w(r27f) = k(r27f) * c(sCH3)**2.0_pr w(r28f) = k(r28f) * cqss(sqssC2H3) * c(sCH3) w(r29f) = k(r29f) * c(sC2H4) * c(sCH4) w(r30f) = k(r30f) * c(sC2H5) * cqss(sqssIC3H7) w(r31f) = k(r31f) * cqss(sqssC2H3) * c(sC2H5) w(r32f) = k(r32f) * c(sC2H5) * c(sSC4H7) w(r33f) = k(r33f) * cqss(sqssC4H5) * c(sH) w(r34f) = k(r34f) * cqss(sqssC4H5) * c(sH) w(r35f) = k(r35f) * c(sC2H2) * c(sC2H6) w(r36f) = k(r36f) * c(sC2H2) * c(sC3H6) w(r37f) = k(r37f) * c(sC2H4)**2.0_pr w(r38f) = k(r38f) * c(sC2H4) * c(sC3H6) w(r39f) = k(r39f) * cqss(sqssC2H3) * c(sSC4H7) w(r40f) = k(r40f) * c(sC3H3)**2.0_pr w(r41f) = k(r41f) * c(sCH2CHCH2)**2.0_pr w(r42f) = k(r42f) * c(sC3H3) * c(sCH2CHCH2) w(r43f) = k(r43f) * c(sCH2CHCH2) * c(sSC4H7) w(r44f) = k(r44f) * c(sCH2CHCH2) * cqss(sqssIC4H7) w(r45f) = k(r45f) * c(sSC4H7)**2.0_pr w(r46f) = k(r46f) * cqss(sqssIC4H7) * c(sSC4H7) w(r47f) = k(r47f) * c(sC4H6)**2.0_pr w(r48f) = k(r48f) * c(sAC3H4) w(r49f) = k(r49f) * c(sC2H2) * c(sH) w(r50f) = k(r50f) * c(sC2H4) * c(sH) w(r51f) = k(r51f) * c(sH) * c(sPC3H4) w(r52f) = k(r52f) * c(sAC3H4) * c(sH) w(r53f) = k(r53f) * c(sAC3H4) * c(sH) w(r54f) = k(r54f) * cqss(sqssC3H5GL1G) w(r55f) = k(r55f) * cqss(sqssC3H5GL1G) * c(sCH3) w(r56f) = k(r56f) * c(sH) * c(sPC3H4) w(r57f) = k(r57f) * cqss(sqssC3H5GL1G) w(r58f) = k(r58f) * cqss(sqssIC3H7) w(r59f) = k(r59f) * cqss(sqssIC3H7) w(r60f) = k(r60f) * cqss(sqssNC3H7) w(r61f) = k(r61f) * cqss(sqssNC3H7) w(r62f) = k(r62f) * cqss(sqssC4H5) w(r63f) = k(r63f) * c(sSC4H7) w(r64f) = k(r64f) * cqss(sqssCH2C3H5) w(r65f) = k(r65f) * cqss(sqssCH2C3H5) w(r66f) = k(r66f) * cqss(sqssCH2C3H5) w(r67f) = k(r67f) * cqss(sqssCH2C3H5) w(r68f) = k(r68f) * cqss(sqssIC4H7) w(r69f) = k(r69f) * c(sCH3)**2.0_pr w(r70f) = k(r70f) * cqss(sqssC2H3) * c(sCH3) w(r71f) = k(r71f) * c(sH) * c(sPC3H4) w(r72f) = k(r72f) * c(sC3H3) * c(sSC4H7) w(r73f) = k(r73f) * c(sC3H3) * cqss(sqssIC4H7) w(r74f) = k(r74f) * c(sCH3) * c(sCH4) w(r75f) = k(r75f) * c(sC4H6) * c(sCH3) w(r76f) = k(r76f) * c(sC2H2) * c(sC2H5) w(r77f) = k(r77f) * c(sC2H5) * c(sC3H6) w(r78f) = k(r78f) * c(sC2H5) * c(sC4H6) w(r79f) = k(r79f) * c(sC2H4) * cqss(sqssNC3H7) w(r80f) = k(r80f) * c(sC2H4) * cqss(sqssIC3H7) w(r81f) = k(r81f) * c(sC3H6) * cqss(sqssIC3H7) w(r82f) = k(r82f) * c(sC3H3) * c(sC4H6) w(r83f) = k(r83f) * c(sC3H6) * c(sCH2CHCH2) w(r84f) = k(r84f) * c(sC2H4) * cqss(sqssC3H5GL1G) w(r85f) = k(r85f) * cqss(sqssC3H5GL1G) * c(sPC3H4) w(r86f) = k(r86f) * c(sC2H4) * c(sSC4H7) w(r87f) = k(r87f) * c(sC2H4) * cqss(sqssCH2C3H5) w(r88f) = k(r88f) * c(sC3H6) * cqss(sqssCH2C3H5) w(r89f) = k(r89f) * c(sC2H6) w(r90f) = k(r90f) * c(sC3H6) w(r91f) = k(r91f) * c(sC3H6) w(r92f) = k(r92f) * c(sC3H8) w(r93f) = k(r93f) * c(sC2H2)**2.0_pr w(r94f) = k(r94f) * c(sNC4H8) w(r95f) = k(r95f) * c(sC2H4)**2.0_pr w(r96f) = k(r96f) * c(sC3H6)**2.0_pr w(r97f) = k(r97f) * c(sAC3H4)**2.0_pr w(r98f) = k(r98f) * c(sC3H6) * cqss(sqssOH) w(r99f) = k(r99f) * c(sNC4H8) * cqss(sqssOH) w(r100f) = k(r100f) * c(sCH3) * cqss(sqssOH) w(r101f) = k(r101f) * cqss(sqssOH) * c(sSC4H7) w(r102f) = k(r102f) * cqss(sqssCH2CHO) * c(sH) w(r103f) = k(r103f) * c(sC2H2) * cqss(sqssOH) w(r104f) = k(r104f) * c(sC4H6) * cqss(sqssOH) w(r105f) = k(r105f) * c(sCH2O) * c(sCH3) w(r106f) = k(r106f) * c(sC3H6) * c(sH) w(r107f) = k(r107f) * c(sC2H4) * cqss(sqssOH) w(r108f) = k(r108f) * c(sAC3H4) * c(sH) w(r109f) = k(r109f) * c(sAC3H4) * cqss(sqssOH) w(r110f) = k(r110f) * c(sH) * c(sPC3H4) w(r111f) = k(r111f) * cqss(sqssOH) * c(sPC3H4) w(r112f) = k(r112f) * c(sCH3) * c(sPC3H4) w(r113f) = k(r113f) * c(sAC3H4) * c(sCH3) w(r114f) = k(r114f) * c(sH) * c(sH2O) w(r115f) = k(r115f) * c(sCH4) * c(sH) w(r116f) = k(r116f) * c(sC2H6) * c(sH) w(r117f) = k(r117f) * c(sC3H8) * c(sH) w(r118f) = k(r118f) * c(sC3H8) * c(sH) w(r119f) = k(r119f) * c(sC3H6) * cqss(sqssOH) w(r120f) = k(r120f) * c(sC2H4) * cqss(sqssIC4H7) w(r121f) = k(r121f) * c(sH) * cqss(sqssNC4H9P) w(r122f) = k(r122f) * c(sH) * cqss(sqssNC4H9S) w(r123f) = k(r123f) * c(sNC4H10) w(r124f) = k(r124f) * cqss(sqssNC4H9P) w(r125f) = k(r125f) * cqss(sqssNC4H9P) w(r126f) = k(r126f) * cqss(sqssNC4H9P) w(r127f) = k(r127f) * cqss(sqssNC4H9S) w(r128f) = k(r128f) * cqss(sqssNC4H9S) w(r129f) = k(r129f) * cqss(sqssIC4H9P) w(r130f) = k(r130f) * cqss(sqssIC4H9P) w(r131f) = k(r131f) * c(sC2H5) * c(sNC4H8) w(r132f) = k(r132f) * c(sC2H4) * cqss(sqssNC4H9P) w(r133f) = k(r133f) * cqss(sqssCH2C3H5) * c(sNC4H8) w(r134f) = k(r134f) * c(sNC4H10) w(r135f) = k(r135f) * c(sH) * c(sNC4H10) w(r136f) = k(r136f) * c(sH) * c(sNC4H10) w(r137f) = k(r137f) * cqss(sqssC2H3) * c(sH2) w(r138f) = k(r138f) * cqss(sqssC4H5) * c(sH2) w(r139f) = k(r139f) * c(sH2) * c(sSC4H7) w(r140f) = k(r140f) * c(sH2) * cqss(sqssIC4H7) w(r141f) = k(r141f) * cqss(sqssC3H5GL1G) * c(sH2) w(r142f) = k(r142f) * cqss(sqssC3H5GL1G) * c(sH2) w(r143f) = k(r143f) * cqss(sqssCH2C3H5) * c(sH2) w(r144f) = k(r144f) * cqss(sqssCH2CHO) * c(sH2) w(r145f) = k(r145f) * c(sCH4) * cqss(sqssOH) w(r146f) = k(r146f) * c(sC2H5) * c(sCH4) w(r147f) = k(r147f) * c(sCH2CHCH2) * c(sCH4) w(r148f) = k(r148f) * c(sCH4) * cqss(sqssNC3H7) w(r149f) = k(r149f) * c(sCH4) * cqss(sqssIC3H7) w(r150f) = k(r150f) * cqss(sqssC2H3) * c(sCH4) w(r151f) = k(r151f) * cqss(sqssC4H5) * c(sCH4) w(r152f) = k(r152f) * c(sCH4) * c(sSC4H7) w(r153f) = k(r153f) * c(sCH4) * cqss(sqssIC4H7) w(r154f) = k(r154f) * cqss(sqssC3H5GL1G) * c(sCH4) w(r155f) = k(r155f) * cqss(sqssC3H5GL1G) * c(sCH4) w(r156f) = k(r156f) * cqss(sqssCH2C3H5) * c(sCH4) w(r157f) = k(r157f) * cqss(sqssCH2CHO) * c(sCH4) w(r158f) = k(r158f) * c(sCH4) * cqss(sqssNC4H9P) w(r159f) = k(r159f) * c(sCH4) * cqss(sqssNC4H9S) w(r160f) = k(r160f) * c(sC2H4) * c(sH) w(r161f) = k(r161f) * c(sC2H4) * c(sCH3) w(r162f) = k(r162f) * c(sC2H4) * c(sC2H5) w(r163f) = k(r163f) * c(sC2H4) * c(sCH2CHCH2) w(r164f) = k(r164f) * c(sC2H4) * cqss(sqssNC3H7) w(r165f) = k(r165f) * c(sC2H4) * cqss(sqssIC3H7) w(r166f) = k(r166f) * c(sC2H4) * c(sC3H3) w(r167f) = k(r167f) * c(sC2H4) * cqss(sqssC4H5) w(r168f) = k(r168f) * c(sC2H4) * c(sSC4H7) w(r169f) = k(r169f) * c(sC2H4) * cqss(sqssIC4H7) w(r170f) = k(r170f) * c(sC2H4) * cqss(sqssC3H5GL1G) w(r171f) = k(r171f) * c(sC2H4) * cqss(sqssC3H5GL1G) w(r172f) = k(r172f) * c(sC2H4) * cqss(sqssCH2C3H5) w(r173f) = k(r173f) * c(sC2H4) * cqss(sqssCH2CHO) w(r174f) = k(r174f) * c(sC2H4) * cqss(sqssNC4H9P) w(r175f) = k(r175f) * c(sC2H4) * cqss(sqssNC4H9S) w(r176f) = k(r176f) * c(sC2H6) * cqss(sqssOH) w(r177f) = k(r177f) * c(sC2H6) * c(sCH3) w(r178f) = k(r178f) * c(sC2H6) * c(sCH2CHCH2) w(r179f) = k(r179f) * c(sC2H6) * cqss(sqssNC3H7) w(r180f) = k(r180f) * c(sC2H6) * cqss(sqssIC3H7) w(r181f) = k(r181f) * cqss(sqssC2H3) * c(sC2H6) w(r182f) = k(r182f) * c(sC2H6) * c(sC3H3) w(r183f) = k(r183f) * c(sC2H6) * cqss(sqssC4H5) w(r184f) = k(r184f) * c(sC2H6) * c(sSC4H7) w(r185f) = k(r185f) * c(sC2H6) * cqss(sqssIC4H7) w(r186f) = k(r186f) * c(sC2H6) * cqss(sqssC3H5GL1G) w(r187f) = k(r187f) * c(sC2H6) * cqss(sqssC3H5GL1G) w(r188f) = k(r188f) * c(sC2H6) * cqss(sqssCH2C3H5) w(r189f) = k(r189f) * c(sC2H6) * cqss(sqssCH2CHO) w(r190f) = k(r190f) * c(sC2H6) * cqss(sqssNC4H9P) w(r191f) = k(r191f) * c(sC2H6) * cqss(sqssNC4H9S) w(r192f) = k(r192f) * c(sC3H6) * c(sCH3) w(r193f) = k(r193f) * c(sC2H5) * c(sC3H6) w(r194f) = k(r194f) * c(sC3H6) * cqss(sqssNC3H7) w(r195f) = k(r195f) * c(sC3H6) * cqss(sqssIC3H7) w(r196f) = k(r196f) * cqss(sqssC2H3) * c(sC3H6) w(r197f) = k(r197f) * c(sC3H3) * c(sC3H6) w(r198f) = k(r198f) * c(sC3H6) * cqss(sqssC4H5) w(r199f) = k(r199f) * c(sC3H6) * c(sSC4H7) w(r200f) = k(r200f) * c(sC3H6) * cqss(sqssIC4H7) w(r201f) = k(r201f) * cqss(sqssC3H5GL1G) * c(sC3H6) w(r202f) = k(r202f) * cqss(sqssC3H5GL1G) * c(sC3H6) w(r203f) = k(r203f) * c(sC3H6) * cqss(sqssCH2C3H5) w(r204f) = k(r204f) * c(sC3H6) * cqss(sqssCH2CHO) w(r205f) = k(r205f) * c(sC3H6) * cqss(sqssNC4H9P) w(r206f) = k(r206f) * c(sC3H6) * cqss(sqssNC4H9S) w(r207f) = k(r207f) * c(sC3H6) * c(sH) w(r208f) = k(r208f) * c(sC3H6) * cqss(sqssOH) w(r209f) = k(r209f) * c(sC3H6) * c(sCH3) w(r210f) = k(r210f) * c(sC2H5) * c(sC3H6) w(r211f) = k(r211f) * c(sC3H6) * c(sCH2CHCH2) w(r212f) = k(r212f) * c(sC3H6) * cqss(sqssNC3H7) w(r213f) = k(r213f) * c(sC3H6) * cqss(sqssIC3H7) w(r214f) = k(r214f) * cqss(sqssC2H3) * c(sC3H6) w(r215f) = k(r215f) * c(sC3H3) * c(sC3H6) w(r216f) = k(r216f) * c(sC3H6) * cqss(sqssC4H5) w(r217f) = k(r217f) * c(sC3H6) * c(sSC4H7) w(r218f) = k(r218f) * c(sC3H6) * cqss(sqssIC4H7) w(r219f) = k(r219f) * cqss(sqssC3H5GL1G) * c(sC3H6) w(r220f) = k(r220f) * c(sC3H6) * cqss(sqssCH2C3H5) w(r221f) = k(r221f) * c(sC3H6) * cqss(sqssCH2CHO) w(r222f) = k(r222f) * c(sC3H6) * cqss(sqssNC4H9P) w(r223f) = k(r223f) * c(sC3H6) * cqss(sqssNC4H9S) w(r224f) = k(r224f) * c(sC3H8) * cqss(sqssOH) w(r225f) = k(r225f) * c(sC3H8) * c(sCH3) w(r226f) = k(r226f) * c(sC2H5) * c(sC3H8) w(r227f) = k(r227f) * c(sC3H8) * c(sCH2CHCH2) w(r228f) = k(r228f) * c(sC3H8) * cqss(sqssIC3H7) w(r229f) = k(r229f) * cqss(sqssC2H3) * c(sC3H8) w(r230f) = k(r230f) * c(sC3H3) * c(sC3H8) w(r231f) = k(r231f) * c(sC3H8) * cqss(sqssC4H5) w(r232f) = k(r232f) * c(sC3H8) * c(sSC4H7) w(r233f) = k(r233f) * c(sC3H8) * cqss(sqssIC4H7) w(r234f) = k(r234f) * cqss(sqssC3H5GL1G) * c(sC3H8) w(r235f) = k(r235f) * cqss(sqssC3H5GL1G) * c(sC3H8) w(r236f) = k(r236f) * c(sC3H8) * cqss(sqssCH2C3H5) w(r237f) = k(r237f) * c(sC3H8) * cqss(sqssCH2CHO) w(r238f) = k(r238f) * c(sC3H8) * cqss(sqssNC4H9P) w(r239f) = k(r239f) * c(sC3H8) * cqss(sqssNC4H9S) w(r240f) = k(r240f) * c(sC3H8) * cqss(sqssOH) w(r241f) = k(r241f) * c(sC3H8) * c(sCH3) w(r242f) = k(r242f) * c(sC2H5) * c(sC3H8) w(r243f) = k(r243f) * c(sC3H8) * c(sCH2CHCH2) w(r244f) = k(r244f) * c(sC3H8) * cqss(sqssNC3H7) w(r245f) = k(r245f) * cqss(sqssC2H3) * c(sC3H8) w(r246f) = k(r246f) * c(sC3H3) * c(sC3H8) w(r247f) = k(r247f) * c(sC3H8) * cqss(sqssC4H5) w(r248f) = k(r248f) * c(sC3H8) * c(sSC4H7) w(r249f) = k(r249f) * c(sC3H8) * cqss(sqssIC4H7) w(r250f) = k(r250f) * cqss(sqssC3H5GL1G) * c(sC3H8) w(r251f) = k(r251f) * cqss(sqssC3H5GL1G) * c(sC3H8) w(r252f) = k(r252f) * c(sC3H8) * cqss(sqssCH2C3H5) w(r253f) = k(r253f) * c(sC3H8) * cqss(sqssCH2CHO) w(r254f) = k(r254f) * c(sC3H8) * cqss(sqssNC4H9P) w(r255f) = k(r255f) * c(sC3H8) * cqss(sqssNC4H9S) w(r256f) = k(r256f) * c(sC4H6) * c(sH) w(r257f) = k(r257f) * c(sC4H6) * cqss(sqssOH) w(r258f) = k(r258f) * c(sC4H6) * c(sCH3) w(r259f) = k(r259f) * c(sC2H5) * c(sC4H6) w(r260f) = k(r260f) * c(sC4H6) * c(sCH2CHCH2) w(r261f) = k(r261f) * c(sC4H6) * cqss(sqssNC3H7) w(r262f) = k(r262f) * c(sC4H6) * cqss(sqssIC3H7) w(r263f) = k(r263f) * cqss(sqssC2H3) * c(sC4H6) w(r264f) = k(r264f) * c(sC4H6) * c(sSC4H7) w(r265f) = k(r265f) * c(sC4H6) * cqss(sqssIC4H7) w(r266f) = k(r266f) * cqss(sqssC3H5GL1G) * c(sC4H6) w(r267f) = k(r267f) * cqss(sqssC3H5GL1G) * c(sC4H6) w(r268f) = k(r268f) * c(sC4H6) * cqss(sqssCH2C3H5) w(r269f) = k(r269f) * c(sC4H6) * cqss(sqssCH2CHO) w(r270f) = k(r270f) * c(sC4H6) * cqss(sqssNC4H9P) w(r271f) = k(r271f) * c(sC4H6) * cqss(sqssNC4H9S) w(r272f) = k(r272f) * c(sH) * c(sNC4H8) w(r273f) = k(r273f) * c(sNC4H8) * cqss(sqssOH) w(r274f) = k(r274f) * c(sCH3) * c(sNC4H8) w(r275f) = k(r275f) * c(sC2H5) * c(sNC4H8) w(r276f) = k(r276f) * c(sCH2CHCH2) * c(sNC4H8) w(r277f) = k(r277f) * cqss(sqssNC3H7) * c(sNC4H8) w(r278f) = k(r278f) * cqss(sqssIC3H7) * c(sNC4H8) w(r279f) = k(r279f) * cqss(sqssC2H3) * c(sNC4H8) w(r280f) = k(r280f) * c(sC3H3) * c(sNC4H8) w(r281f) = k(r281f) * cqss(sqssC4H5) * c(sNC4H8) w(r282f) = k(r282f) * cqss(sqssIC4H7) * c(sNC4H8) w(r283f) = k(r283f) * cqss(sqssC3H5GL1G) * c(sNC4H8) w(r284f) = k(r284f) * cqss(sqssC3H5GL1G) * c(sNC4H8) w(r285f) = k(r285f) * cqss(sqssCH2C3H5) * c(sNC4H8) w(r286f) = k(r286f) * cqss(sqssCH2CHO) * c(sNC4H8) w(r287f) = k(r287f) * c(sNC4H8) * cqss(sqssNC4H9P) w(r288f) = k(r288f) * c(sNC4H8) * cqss(sqssNC4H9S) w(r289f) = k(r289f) * c(sH) * c(sNC4H8) w(r290f) = k(r290f) * c(sNC4H8) * cqss(sqssOH) w(r291f) = k(r291f) * c(sCH3) * c(sNC4H8) w(r292f) = k(r292f) * c(sC2H5) * c(sNC4H8) w(r293f) = k(r293f) * c(sCH2CHCH2) * c(sNC4H8) w(r294f) = k(r294f) * cqss(sqssNC3H7) * c(sNC4H8) w(r295f) = k(r295f) * cqss(sqssIC3H7) * c(sNC4H8) w(r296f) = k(r296f) * cqss(sqssC2H3) * c(sNC4H8) w(r297f) = k(r297f) * c(sC3H3) * c(sNC4H8) w(r298f) = k(r298f) * cqss(sqssC4H5) * c(sNC4H8) w(r299f) = k(r299f) * c(sNC4H8) * c(sSC4H7) w(r300f) = k(r300f) * cqss(sqssIC4H7) * c(sNC4H8) w(r301f) = k(r301f) * cqss(sqssC3H5GL1G) * c(sNC4H8) w(r302f) = k(r302f) * cqss(sqssC3H5GL1G) * c(sNC4H8) w(r303f) = k(r303f) * cqss(sqssCH2CHO) * c(sNC4H8) w(r304f) = k(r304f) * c(sNC4H8) * cqss(sqssNC4H9P) w(r305f) = k(r305f) * c(sNC4H8) * cqss(sqssNC4H9S) w(r306f) = k(r306f) * c(sH) * c(sIC4H8) w(r307f) = k(r307f) * c(sIC4H8) * cqss(sqssOH) w(r308f) = k(r308f) * c(sCH3) * c(sIC4H8) w(r309f) = k(r309f) * c(sC2H5) * c(sIC4H8) w(r310f) = k(r310f) * c(sCH2CHCH2) * c(sIC4H8) w(r311f) = k(r311f) * c(sIC4H8) * cqss(sqssNC3H7) w(r312f) = k(r312f) * cqss(sqssIC3H7) * c(sIC4H8) w(r313f) = k(r313f) * cqss(sqssC2H3) * c(sIC4H8) w(r314f) = k(r314f) * c(sC3H3) * c(sIC4H8) w(r315f) = k(r315f) * cqss(sqssC4H5) * c(sIC4H8) w(r316f) = k(r316f) * c(sIC4H8) * c(sSC4H7) w(r317f) = k(r317f) * cqss(sqssC3H5GL1G) * c(sIC4H8) w(r318f) = k(r318f) * cqss(sqssC3H5GL1G) * c(sIC4H8) w(r319f) = k(r319f) * cqss(sqssCH2C3H5) * c(sIC4H8) w(r320f) = k(r320f) * cqss(sqssCH2CHO) * c(sIC4H8) w(r321f) = k(r321f) * c(sIC4H8) * cqss(sqssNC4H9P) w(r322f) = k(r322f) * c(sIC4H8) * cqss(sqssNC4H9S) w(r323f) = k(r323f) * c(sCH3) * c(sH2O) w(r324f) = k(r324f) * c(sC2H5) * c(sH2O) w(r325f) = k(r325f) * c(sCH2CHCH2) * c(sH2O) w(r326f) = k(r326f) * c(sH2O) * cqss(sqssNC3H7) w(r327f) = k(r327f) * c(sH2O) * cqss(sqssIC3H7) w(r328f) = k(r328f) * cqss(sqssC4H5) * c(sH2O) w(r329f) = k(r329f) * c(sH2O) * c(sSC4H7) w(r330f) = k(r330f) * c(sH2O) * cqss(sqssIC4H7) w(r331f) = k(r331f) * cqss(sqssC3H5GL1G) * c(sH2O) w(r332f) = k(r332f) * cqss(sqssC3H5GL1G) * c(sH2O) w(r333f) = k(r333f) * cqss(sqssCH2C3H5) * c(sH2O) w(r334f) = k(r334f) * cqss(sqssCH2CHO) * c(sH2O) w(r335f) = k(r335f) * c(sH2O) * cqss(sqssNC4H9P) w(r336f) = k(r336f) * c(sH2O) * cqss(sqssNC4H9S) w(r337f) = k(r337f) * c(sCH3CHO) * c(sH) w(r338f) = k(r338f) * c(sCH3CHO) * cqss(sqssOH) w(r339f) = k(r339f) * c(sCH3) * c(sCH3CHO) w(r340f) = k(r340f) * c(sC2H5) * c(sCH3CHO) w(r341f) = k(r341f) * c(sCH2CHCH2) * c(sCH3CHO) w(r342f) = k(r342f) * c(sCH3CHO) * cqss(sqssNC3H7) w(r343f) = k(r343f) * c(sCH3CHO) * cqss(sqssIC3H7) w(r344f) = k(r344f) * cqss(sqssC2H3) * c(sCH3CHO) w(r345f) = k(r345f) * c(sC3H3) * c(sCH3CHO) w(r346f) = k(r346f) * cqss(sqssC4H5) * c(sCH3CHO) w(r347f) = k(r347f) * c(sCH3CHO) * c(sSC4H7) w(r348f) = k(r348f) * c(sCH3CHO) * cqss(sqssIC4H7) w(r349f) = k(r349f) * cqss(sqssC3H5GL1G) * c(sCH3CHO) w(r350f) = k(r350f) * cqss(sqssC3H5GL1G) * c(sCH3CHO) w(r351f) = k(r351f) * cqss(sqssCH2C3H5) * c(sCH3CHO) w(r352f) = k(r352f) * c(sCH3CHO) * cqss(sqssNC4H9P) w(r353f) = k(r353f) * c(sCH3CHO) * cqss(sqssNC4H9S) w(r354f) = k(r354f) * c(sC2H5) * c(sPC3H4) w(r355f) = k(r355f) * c(sCH2CHCH2) * c(sPC3H4) w(r356f) = k(r356f) * cqss(sqssNC3H7) * c(sPC3H4) w(r357f) = k(r357f) * cqss(sqssIC3H7) * c(sPC3H4) w(r358f) = k(r358f) * cqss(sqssC2H3) * c(sPC3H4) w(r359f) = k(r359f) * c(sC3H3) * c(sPC3H4) w(r360f) = k(r360f) * cqss(sqssC4H5) * c(sPC3H4) w(r361f) = k(r361f) * c(sPC3H4) * c(sSC4H7) w(r362f) = k(r362f) * cqss(sqssIC4H7) * c(sPC3H4) w(r363f) = k(r363f) * cqss(sqssC3H5GL1G) * c(sPC3H4) w(r364f) = k(r364f) * cqss(sqssCH2C3H5) * c(sPC3H4) w(r365f) = k(r365f) * cqss(sqssCH2CHO) * c(sPC3H4) w(r366f) = k(r366f) * cqss(sqssNC4H9P) * c(sPC3H4) w(r367f) = k(r367f) * cqss(sqssNC4H9S) * c(sPC3H4) w(r368f) = k(r368f) * c(sAC3H4) * c(sC2H5) w(r369f) = k(r369f) * c(sAC3H4) * c(sCH2CHCH2) w(r370f) = k(r370f) * c(sAC3H4) * cqss(sqssNC3H7) w(r371f) = k(r371f) * c(sAC3H4) * cqss(sqssIC3H7) w(r372f) = k(r372f) * c(sAC3H4) * cqss(sqssC2H3) w(r373f) = k(r373f) * c(sAC3H4) * cqss(sqssC4H5) w(r374f) = k(r374f) * c(sAC3H4) * c(sSC4H7) w(r375f) = k(r375f) * c(sAC3H4) * cqss(sqssIC4H7) w(r376f) = k(r376f) * c(sAC3H4) * cqss(sqssC3H5GL1G) w(r377f) = k(r377f) * c(sAC3H4) * cqss(sqssC3H5GL1G) w(r378f) = k(r378f) * c(sAC3H4) * cqss(sqssCH2C3H5) w(r379f) = k(r379f) * c(sAC3H4) * cqss(sqssCH2CHO) w(r380f) = k(r380f) * c(sAC3H4) * cqss(sqssNC4H9P) w(r381f) = k(r381f) * c(sAC3H4) * cqss(sqssNC4H9S) w(r382f) = k(r382f) * c(sNC4H10) * cqss(sqssOH) w(r383f) = k(r383f) * c(sCH3) * c(sNC4H10) w(r384f) = k(r384f) * c(sC2H5) * c(sNC4H10) w(r385f) = k(r385f) * c(sCH2CHCH2) * c(sNC4H10) w(r386f) = k(r386f) * cqss(sqssNC3H7) * c(sNC4H10) w(r387f) = k(r387f) * cqss(sqssIC3H7) * c(sNC4H10) w(r388f) = k(r388f) * cqss(sqssC2H3) * c(sNC4H10) w(r389f) = k(r389f) * c(sC3H3) * c(sNC4H10) w(r390f) = k(r390f) * cqss(sqssC4H5) * c(sNC4H10) w(r391f) = k(r391f) * c(sNC4H10) * c(sSC4H7) w(r392f) = k(r392f) * cqss(sqssIC4H7) * c(sNC4H10) w(r393f) = k(r393f) * cqss(sqssC3H5GL1G) * c(sNC4H10) w(r394f) = k(r394f) * cqss(sqssC3H5GL1G) * c(sNC4H10) w(r395f) = k(r395f) * cqss(sqssCH2C3H5) * c(sNC4H10) w(r396f) = k(r396f) * cqss(sqssCH2CHO) * c(sNC4H10) w(r397f) = k(r397f) * c(sNC4H10) * cqss(sqssNC4H9S) w(r398f) = k(r398f) * c(sNC4H10) * cqss(sqssOH) w(r399f) = k(r399f) * c(sCH3) * c(sNC4H10) w(r400f) = k(r400f) * c(sC2H5) * c(sNC4H10) w(r401f) = k(r401f) * c(sCH2CHCH2) * c(sNC4H10) w(r402f) = k(r402f) * cqss(sqssNC3H7) * c(sNC4H10) w(r403f) = k(r403f) * cqss(sqssIC3H7) * c(sNC4H10) w(r404f) = k(r404f) * cqss(sqssC2H3) * c(sNC4H10) w(r405f) = k(r405f) * c(sC3H3) * c(sNC4H10) w(r406f) = k(r406f) * cqss(sqssC4H5) * c(sNC4H10) w(r407f) = k(r407f) * c(sNC4H10) * c(sSC4H7) w(r408f) = k(r408f) * cqss(sqssIC4H7) * c(sNC4H10) w(r409f) = k(r409f) * cqss(sqssC3H5GL1G) * c(sNC4H10) w(r410f) = k(r410f) * cqss(sqssC3H5GL1G) * c(sNC4H10) w(r411f) = k(r411f) * cqss(sqssCH2C3H5) * c(sNC4H10) w(r412f) = k(r412f) * cqss(sqssCH2CHO) * c(sNC4H10) w(r413f) = k(r413f) * c(sNC4H10) * cqss(sqssNC4H9P) w(r1b) = k(r1b) * c(sH)**2.0_pr * m(mM1) w(r2b) = k(r2b) * c(sH2O) * m(mM2) w(r3b) = k(r3b) * c(sCH4) w(r4b) = k(r4b) * c(sC2H6) w(r5b) = k(r5b) * c(sC2H6) w(r6b) = k(r6b) * c(sAC3H4) * c(sH2) w(r7b) = k(r7b) * c(sC3H6) w(r8b) = k(r8b) * c(sC3H8) w(r9b) = k(r9b) * c(sC3H8) w(r10b) = k(r10b) * c(sC3H8) w(r11b) = k(r11b) * c(sC2H2) * c(sH2) w(r12b) = k(r12b) * c(sC2H4) w(r13b) = k(r13b) * c(sAC3H4) w(r14b) = k(r14b) * c(sPC3H4) w(r15b) = k(r15b) * c(sC3H6) w(r16b) = k(r16b) * c(sNC4H8) w(r17b) = k(r17b) * c(sCH2CHCH2) * c(sCH3) w(r18b) = k(r18b) * c(sNC4H8) w(r19b) = k(r19b) * c(sH) * cqss(sqssIC4H7) w(r20b) = k(r20b) * c(sC4H4) * c(sH) w(r21b) = k(r21b) * c(sC2H2) * cqss(sqssC2H3) w(r22b) = k(r22b) * c(sC4H6) w(r23b) = k(r23b) * c(sC4H4) * c(sH2) w(r24b) = k(r24b) * c(sC2H2) * c(sH2) w(r25b) = k(r25b) * c(sC2H5) * c(sH) w(r28b) = k(r28b) * c(sC2H2) * c(sCH4) w(r33b) = k(r33b) * c(sC2H2) * c(sC2H4) w(r34b) = k(r34b) * c(sC4H4) * c(sH2) w(r35b) = k(r35b) * cqss(sqssC2H3) * c(sC2H5) w(r36b) = k(r36b) * cqss(sqssC2H3) * c(sCH2CHCH2) w(r37b) = k(r37b) * cqss(sqssC2H3) * c(sC2H5) w(r38b) = k(r38b) * c(sC2H5) * c(sCH2CHCH2) w(r47b) = k(r47b) * cqss(sqssC4H5) * c(sSC4H7) w(r48b) = k(r48b) * c(sPC3H4) w(r49b) = k(r49b) * cqss(sqssC2H3) w(r50b) = k(r50b) * c(sC2H5) w(r51b) = k(r51b) * cqss(sqssC3H5GL1G) w(r52b) = k(r52b) * c(sCH2CHCH2) w(r53b) = k(r53b) * cqss(sqssC3H5GL1G) w(r54b) = k(r54b) * c(sC2H2) * c(sCH3) w(r55b) = k(r55b) * c(sNC4H8) w(r56b) = k(r56b) * cqss(sqssC3H5GL1G) w(r57b) = k(r57b) * c(sC2H2) * c(sCH3) w(r58b) = k(r58b) * c(sC3H6) * c(sH) w(r59b) = k(r59b) * cqss(sqssNC3H7) w(r60b) = k(r60b) * c(sC2H4) * c(sCH3) w(r61b) = k(r61b) * c(sC3H6) * c(sH) w(r62b) = k(r62b) * c(sC4H4) * c(sH) w(r63b) = k(r63b) * c(sC4H6) * c(sH) w(r64b) = k(r64b) * c(sSC4H7) w(r65b) = k(r65b) * cqss(sqssC2H3) * c(sC2H4) w(r66b) = k(r66b) * c(sC4H6) * c(sH) w(r68b) = k(r68b) * c(sAC3H4) * c(sCH3) w(r69b) = k(r69b) * c(sC2H5) * c(sH) w(r70b) = k(r70b) * c(sCH2CHCH2) * c(sH) w(r71b) = k(r71b) * c(sC2H2) * c(sCH3) w(r89b) = k(r89b) * c(sC2H4) * c(sH2) w(r90b) = k(r90b) * c(sAC3H4) * c(sH2) w(r91b) = k(r91b) * c(sH2) * c(sPC3H4) w(r92b) = k(r92b) * c(sC3H6) * c(sH2) w(r93b) = k(r93b) * c(sC4H4) w(r94b) = k(r94b) * c(sC4H6) * c(sH2) w(r95b) = k(r95b) * c(sNC4H8) w(r96b) = k(r96b) * c(sC2H4) * c(sNC4H8) w(r100b) = k(r100b) * c(sCH2O) * c(sH2) w(r105b) = k(r105b) * c(sCH3CHO) * c(sH) w(r106b) = k(r106b) * c(sCH2CHCH2) * c(sH2) w(r107b) = k(r107b) * cqss(sqssC2H3) * c(sH2O) w(r108b) = k(r108b) * c(sC3H3) * c(sH2) w(r109b) = k(r109b) * c(sC3H3) * c(sH2O) w(r110b) = k(r110b) * c(sC3H3) * c(sH2) w(r111b) = k(r111b) * c(sC3H3) * c(sH2O) w(r112b) = k(r112b) * c(sC3H3) * c(sCH4) w(r113b) = k(r113b) * c(sC3H3) * c(sCH4) w(r114b) = k(r114b) * c(sH2) * cqss(sqssOH) w(r115b) = k(r115b) * c(sCH3) * c(sH2) w(r116b) = k(r116b) * c(sC2H5) * c(sH2) w(r117b) = k(r117b) * c(sH2) * cqss(sqssNC3H7) w(r118b) = k(r118b) * c(sH2) * cqss(sqssIC3H7) w(r121b) = k(r121b) * c(sNC4H10) w(r122b) = k(r122b) * c(sNC4H10) w(r123b) = k(r123b) * c(sC2H5)**2.0_pr w(r124b) = k(r124b) * c(sC2H4) * c(sC2H5) w(r125b) = k(r125b) * c(sH) * c(sNC4H8) w(r126b) = k(r126b) * cqss(sqssNC4H9S) w(r127b) = k(r127b) * c(sC3H6) * c(sCH3) w(r128b) = k(r128b) * c(sH) * c(sNC4H8) w(r129b) = k(r129b) * c(sC3H6) * c(sCH3) w(r130b) = k(r130b) * c(sH) * c(sIC4H8) w(r134b) = k(r134b) * c(sH2) * c(sNC4H8) w(r135b) = k(r135b) * c(sH2) * cqss(sqssNC4H9P) w(r136b) = k(r136b) * c(sH2) * cqss(sqssNC4H9S) 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(r6f) & - w(r6b) & + w(r11f) & - w(r11b) & + w(r23f) & - w(r23b) & + w(r24f) & - w(r24b) & - w(r25f) & + w(r25b) & + w(r27f) & + w(r34f) & - w(r34b) & + w(r89f) & - w(r89b) & + w(r90f) & - w(r90b) & + w(r91f) & - w(r91b) & + w(r92f) & - w(r92b) & + w(r94f) & - w(r94b) & + w(r100f) & - w(r100b) & + w(r106f) & - w(r106b) & + w(r108f) & - w(r108b) & + w(r110f) & - w(r110b) & + w(r114f) & - w(r114b) & + w(r115f) & - w(r115b) & + w(r116f) & - w(r116b) & + w(r117f) & - w(r117b) & + w(r118f) & - w(r118b) & + w(r134f) & - w(r134b) & + w(r135f) & - w(r135b) & + w(r136f) & - w(r136b) & - w(r137f) & - w(r138f) & - w(r139f) & - w(r140f) & - w(r141f) & - w(r142f) & - w(r143f) & - w(r144f) & + w(r160f) & + w(r207f) & + w(r256f) & + w(r272f) & + w(r289f) & + w(r306f) & + w(r337f) cdot(sH2O) = 0.0_pr & + w(r2f) & - w(r2b) & + w(r107f) & - w(r107b) & + w(r109f) & - w(r109b) & + w(r111f) & - w(r111b) & - w(r114f) & + w(r114b) & + w(r119f) & + w(r145f) & + w(r176f) & + w(r208f) & + w(r224f) & + w(r240f) & + w(r257f) & + w(r273f) & + w(r290f) & + w(r307f) & - w(r323f) & - w(r324f) & - w(r325f) & - w(r326f) & - w(r327f) & - w(r328f) & - w(r329f) & - w(r330f) & - w(r331f) & - w(r332f) & - w(r333f) & - w(r334f) & - w(r335f) & - w(r336f) & + w(r338f) & + w(r382f) & + w(r398f) cdot(sCH2O) = 0.0_pr & + 0.5_pr * w(r99f) & + w(r100f) & - w(r100b) & + 0.55_pr * w(r104f) & - w(r105f) & + w(r105b) cdot(sCH4) = 0.0_pr & + w(r3f) & - w(r3b) & + w(r26f) & + w(r28f) & - w(r28b) & - w(r29f) & - w(r74f) & + w(r112f) & - w(r112b) & + w(r113f) & - w(r113b) & - w(r115f) & + w(r115b) & - w(r145f) & - w(r146f) & - w(r147f) & - w(r148f) & - w(r149f) & - w(r150f) & - w(r151f) & - w(r152f) & - w(r153f) & - w(r154f) & - w(r155f) & - w(r156f) & - w(r157f) & - w(r158f) & - w(r159f) & + w(r161f) & + w(r177f) & + w(r192f) & + w(r209f) & + w(r225f) & + w(r241f) & + w(r258f) & + w(r274f) & + w(r291f) & + w(r308f) & + w(r323f) & + w(r339f) & + w(r383f) & + w(r399f) cdot(sC2H2) = 0.0_pr & + w(r11f) & - w(r11b) & - w(r20f) & + w(r20b) & + w(r21f) & - w(r21b) & - w(r22f) & + w(r22b) & + w(r24f) & - w(r24b) & + w(r28f) & - w(r28b) & + w(r33f) & - w(r33b) & - w(r35f) & + w(r35b) & - w(r36f) & + w(r36b) & + w(r40f) & + w(r42f) & - w(r49f) & + w(r49b) & + w(r54f) & - w(r54b) & + w(r57f) & - w(r57b) & + w(r71f) & - w(r71b) & - w(r76f) & -2.0_pr * w(r93f) & + 2.0_pr * w(r93b) & - w(r103f) cdot(sC2H4) = 0.0_pr & - w(r11f) & + w(r11b) & + w(r12f) & - w(r12b) & - w(r22f) & + w(r22b) & - w(r25f) & + w(r25b) & + w(r27f) & - w(r29f) & + w(r30f) & + w(r33f) & - w(r33b) & -2.0_pr * w(r37f) & + 2.0_pr * w(r37b) & - w(r38f) & + w(r38b) & + w(r39f) & - w(r50f) & + w(r50b) & + w(r60f) & - w(r60b) & + w(r65f) & - w(r65b) & + w(r75f) & + 0.5_pr * w(r77f) & + w(r78f) & - w(r79f) & - w(r80f) & + 0.8_pr * w(r83f) & - w(r84f) & - w(r86f) & - w(r87f) & + w(r89f) & - w(r89b) & -2.0_pr * w(r95f) & + 2.0_pr * w(r95b) & + w(r96f) & - w(r96b) & + w(r97f) & + w(r101f) & + 0.25_pr * w(r104f) & - w(r107f) & + w(r107b) & - w(r120f) & + w(r124f) & - w(r124b) & + 0.55_pr * w(r131f) & - w(r132f) & + w(r137f) & + w(r150f) & - w(r160f) & - w(r161f) & - w(r162f) & - w(r163f) & - w(r164f) & - w(r165f) & - w(r166f) & - w(r167f) & - w(r168f) & - w(r169f) & - w(r170f) & - w(r171f) & - w(r172f) & - w(r173f) & - w(r174f) & - w(r175f) & + w(r181f) & + w(r196f) & + w(r214f) & + w(r229f) & + w(r245f) & + w(r263f) & + w(r279f) & + w(r296f) & + w(r313f) & + w(r344f) & + w(r358f) & + w(r372f) & + w(r388f) & + w(r404f) cdot(sCH3CHO) = 0.0_pr & + w(r98f) & + 0.5_pr * w(r99f) & + w(r101f) & + w(r102f) & + 0.2_pr * w(r104f) & + w(r105f) & - w(r105b) & + w(r144f) & + w(r157f) & + w(r173f) & + w(r189f) & + w(r204f) & + w(r221f) & + w(r237f) & + w(r253f) & + w(r269f) & + w(r286f) & + w(r303f) & + w(r320f) & + w(r334f) & - w(r337f) & - w(r338f) & - w(r339f) & - w(r340f) & - w(r341f) & - w(r342f) & - w(r343f) & - w(r344f) & - w(r345f) & - w(r346f) & - w(r347f) & - w(r348f) & - w(r349f) & - w(r350f) & - w(r351f) & - w(r352f) & - w(r353f) & + w(r365f) & + w(r379f) & + w(r396f) & + w(r412f) cdot(sC2H6) = 0.0_pr & + w(r4f) & - w(r4b) & + w(r5f) & - w(r5b) & + w(r32f) & - w(r35f) & + w(r35b) & + w(r74f) & - w(r89f) & + w(r89b) & - w(r116f) & + w(r116b) & + w(r146f) & + w(r162f) & - w(r176f) & - w(r177f) & - w(r178f) & - w(r179f) & - w(r180f) & - w(r181f) & - w(r182f) & - w(r183f) & - w(r184f) & - w(r185f) & - w(r186f) & - w(r187f) & - w(r188f) & - w(r189f) & - w(r190f) & - w(r191f) & + w(r193f) & + w(r210f) & + w(r226f) & + w(r242f) & + w(r259f) & + w(r275f) & + w(r292f) & + w(r309f) & + w(r324f) & + w(r340f) & + w(r354f) & + w(r368f) & + w(r384f) & + w(r400f) cdot(sPC3H4) = 0.0_pr & + w(r14f) & - w(r14b) & + w(r48f) & - w(r48b) & - w(r51f) & + w(r51b) & - w(r56f) & + w(r56b) & - w(r71f) & + w(r71b) & - w(r85f) & + w(r91f) & - w(r91b) & - w(r110f) & + w(r110b) & - w(r111f) & + w(r111b) & - w(r112f) & + w(r112b) & - w(r354f) & - w(r355f) & - w(r356f) & - w(r357f) & - w(r358f) & - w(r359f) & - w(r360f) & - w(r361f) & - w(r362f) & - w(r363f) & - w(r364f) & - w(r365f) & - w(r366f) & - w(r367f) cdot(sAC3H4) = 0.0_pr & + w(r6f) & - w(r6b) & + w(r13f) & - w(r13b) & + w(r41f) & + w(r44f) & - w(r48f) & + w(r48b) & - w(r52f) & + w(r52b) & - w(r53f) & + w(r53b) & + w(r68f) & - w(r68b) & + w(r82f) & + w(r90f) & - w(r90b) & -2.0_pr * w(r97f) & - w(r108f) & + w(r108b) & - w(r109f) & + w(r109b) & - w(r113f) & + w(r113b) & + 0.33_pr * w(r120f) & + w(r166f) & + w(r182f) & + w(r197f) & + w(r215f) & + w(r230f) & + w(r246f) & + w(r280f) & + w(r297f) & + w(r314f) & + w(r345f) & + w(r359f) & - w(r368f) & - w(r369f) & - w(r370f) & - w(r371f) & - w(r372f) & - w(r373f) & - w(r374f) & - w(r375f) & - w(r376f) & - w(r377f) & - w(r378f) & - w(r379f) & - w(r380f) & - w(r381f) & + w(r389f) & + w(r405f) cdot(sC3H6) = 0.0_pr & + w(r7f) & - w(r7b) & + w(r15f) & - w(r15b) & + w(r26f) & - w(r36f) & + w(r36b) & - w(r38f) & + w(r38b) & + w(r41f) & + w(r43f) & + w(r58f) & - w(r58b) & + w(r61f) & - w(r61b) & + w(r72f) & + w(r73f) & - w(r77f) & + w(r79f) & + 0.8_pr * w(r80f) & - w(r83f) & + w(r85f) & + 0.85_pr * w(r86f) & + 0.2_pr * w(r87f) & - w(r88f) & - w(r90f) & + w(r90b) & - w(r91f) & + w(r91b) & + w(r92f) & - w(r92b) & -2.0_pr * w(r96f) & + 2.0_pr * w(r96b) & - w(r98f) & - w(r106f) & + w(r106b) & - w(r119f) & + 0.67_pr * w(r120f) & + w(r127f) & - w(r127b) & + w(r129f) & - w(r129b) & + 0.45_pr * w(r131f) & + w(r132f) & + w(r141f) & + w(r142f) & + w(r147f) & + w(r154f) & + w(r155f) & + w(r163f) & + w(r170f) & + w(r171f) & + w(r178f) & + w(r186f) & + w(r187f) & - w(r192f) & - w(r193f) & - w(r194f) & - w(r195f) & - w(r196f) & - w(r197f) & - w(r198f) & - w(r199f) & - w(r200f) & - w(r203f) & - w(r204f) & - w(r205f) & - w(r206f) & - w(r207f) & - w(r208f) & - w(r209f) & - w(r210f) & - w(r212f) & - w(r213f) & - w(r214f) & - w(r215f) & - w(r216f) & - w(r217f) & - w(r218f) & - w(r220f) & - w(r221f) & - w(r222f) & - w(r223f) & + w(r227f) & + w(r234f) & + w(r235f) & + w(r243f) & + w(r250f) & + w(r251f) & + w(r260f) & + w(r266f) & + w(r267f) & + w(r276f) & + w(r283f) & + w(r284f) & + w(r293f) & + w(r301f) & + w(r302f) & + w(r310f) & + w(r317f) & + w(r318f) & + w(r325f) & + w(r331f) & + w(r332f) & + w(r341f) & + w(r349f) & + w(r350f) & + w(r355f) & + w(r363f) & + w(r369f) & + w(r376f) & + w(r377f) & + w(r385f) & + w(r393f) & + w(r394f) & + w(r401f) & + w(r409f) & + w(r410f) cdot(sC3H8) = 0.0_pr & + w(r8f) & - w(r8b) & + w(r9f) & - w(r9b) & + w(r10f) & - w(r10b) & + w(r30f) & - w(r92f) & + w(r92b) & - w(r117f) & + w(r117b) & - w(r118f) & + w(r118b) & + w(r148f) & + w(r149f) & + w(r164f) & + w(r165f) & + w(r179f) & + w(r180f) & + w(r194f) & + w(r195f) & + w(r212f) & + w(r213f) & - w(r224f) & - w(r225f) & - w(r226f) & - w(r227f) & - w(r229f) & - w(r230f) & - w(r231f) & - w(r232f) & - w(r233f) & - w(r234f) & - w(r235f) & - w(r236f) & - w(r237f) & - w(r238f) & - w(r239f) & - w(r240f) & - w(r241f) & - w(r242f) & - w(r243f) & - w(r245f) & - w(r246f) & - w(r247f) & - w(r248f) & - w(r249f) & - w(r250f) & - w(r251f) & - w(r252f) & - w(r253f) & - w(r254f) & - w(r255f) & + w(r261f) & + w(r262f) & + w(r277f) & + w(r278f) & + w(r294f) & + w(r295f) & + w(r311f) & + w(r312f) & + w(r326f) & + w(r327f) & + w(r342f) & + w(r343f) & + w(r356f) & + w(r357f) & + w(r370f) & + w(r371f) & + w(r386f) & + w(r387f) & + w(r402f) & + w(r403f) cdot(sC4H4) = 0.0_pr & + w(r20f) & - w(r20b) & + w(r23f) & - w(r23b) & + w(r34f) & - w(r34b) & + w(r40f) & + w(r62f) & - w(r62b) & + w(r72f) & + w(r73f) & + w(r93f) & - w(r93b) & + w(r97f) cdot(sC4H6) = 0.0_pr & + w(r22f) & - w(r22b) & - w(r23f) & + w(r23b) & + w(r32f) & + w(r39f) & + w(r42f) & + w(r43f) & + w(r45f) & + w(r46f) & -2.0_pr * w(r47f) & + 2.0_pr * w(r47b) & + w(r63f) & - w(r63b) & + w(r66f) & - w(r66b) & - w(r75f) & - w(r78f) & - w(r82f) & + 0.2_pr * w(r83f) & + w(r84f) & + 0.15_pr * w(r86f) & + 0.8_pr * w(r87f) & + w(r88f) & + w(r94f) & - w(r94b) & - w(r104f) & + w(r133f) & + w(r138f) & + w(r151f) & + w(r167f) & + w(r183f) & + w(r198f) & + w(r216f) & + w(r231f) & + w(r247f) & - w(r256f) & - w(r257f) & - w(r258f) & - w(r259f) & - w(r260f) & - w(r261f) & - w(r262f) & - w(r263f) & - w(r264f) & - w(r265f) & - w(r266f) & - w(r267f) & - w(r268f) & - w(r269f) & - w(r270f) & - w(r271f) & + w(r281f) & + w(r298f) & + w(r315f) & + w(r328f) & + w(r346f) & + w(r360f) & + w(r373f) & + w(r390f) & + w(r406f) cdot(sIC4H8) = 0.0_pr & - w(r19f) & + w(r19b) & + w(r44f) & + w(r46f) & + w(r130f) & - w(r130b) & + w(r140f) & + w(r153f) & + w(r169f) & + w(r185f) & + w(r200f) & + w(r218f) & + w(r233f) & + w(r249f) & + w(r265f) & + w(r282f) & + w(r300f) & - w(r306f) & - w(r307f) & - w(r308f) & - w(r309f) & - w(r310f) & - w(r311f) & - w(r312f) & - w(r313f) & - w(r314f) & - w(r315f) & - w(r316f) & - w(r317f) & - w(r318f) & - w(r319f) & - w(r320f) & - w(r321f) & - w(r322f) & + w(r330f) & + w(r348f) & + w(r362f) & + w(r375f) & + w(r392f) & + w(r408f) cdot(sNC4H8) = 0.0_pr & + w(r16f) & - w(r16b) & - w(r17f) & + w(r17b) & + w(r18f) & - w(r18b) & + w(r31f) & + w(r45f) & + w(r55f) & - w(r55b) & + 0.5_pr * w(r77f) & + 0.2_pr * w(r80f) & - w(r94f) & + w(r94b) & + w(r95f) & - w(r95b) & + w(r96f) & - w(r96b) & - w(r99f) & + w(r125f) & - w(r125b) & + w(r128f) & - w(r128b) & - w(r131f) & - w(r133f) & + w(r134f) & - w(r134b) & + w(r139f) & + w(r143f) & + w(r152f) & + w(r156f) & + w(r168f) & + w(r172f) & + w(r184f) & + w(r188f) & + w(r199f) & + w(r203f) & + w(r217f) & + w(r220f) & + w(r232f) & + w(r236f) & + w(r248f) & + w(r252f) & + w(r264f) & + w(r268f) & - w(r272f) & - w(r273f) & - w(r274f) & - w(r275f) & - w(r276f) & - w(r277f) & - w(r278f) & - w(r279f) & - w(r280f) & - w(r281f) & - w(r282f) & - w(r283f) & - w(r284f) & - w(r286f) & - w(r287f) & - w(r288f) & - w(r289f) & - w(r290f) & - w(r291f) & - w(r292f) & - w(r293f) & - w(r294f) & - w(r295f) & - w(r296f) & - w(r297f) & - w(r298f) & - w(r300f) & - w(r301f) & - w(r302f) & - w(r303f) & - w(r304f) & - w(r305f) & + w(r316f) & + w(r319f) & + w(r329f) & + w(r333f) & + w(r347f) & + w(r351f) & + w(r361f) & + w(r364f) & + w(r374f) & + w(r378f) & + w(r391f) & + w(r395f) & + w(r407f) & + w(r411f) cdot(sNC4H10) = 0.0_pr & + w(r121f) & - w(r121b) & + w(r122f) & - w(r122b) & - w(r123f) & + w(r123b) & - w(r134f) & + w(r134b) & - w(r135f) & + w(r135b) & - w(r136f) & + w(r136b) & + w(r158f) & + w(r159f) & + w(r174f) & + w(r175f) & + w(r190f) & + w(r191f) & + w(r205f) & + w(r206f) & + w(r222f) & + w(r223f) & + w(r238f) & + w(r239f) & + w(r254f) & + w(r255f) & + w(r270f) & + w(r271f) & + w(r287f) & + w(r288f) & + w(r304f) & + w(r305f) & + w(r321f) & + w(r322f) & + w(r335f) & + w(r336f) & + w(r352f) & + w(r353f) & + w(r366f) & + w(r367f) & + w(r380f) & + w(r381f) & - w(r382f) & - w(r383f) & - w(r384f) & - w(r385f) & - w(r386f) & - w(r387f) & - w(r388f) & - w(r389f) & - w(r390f) & - w(r391f) & - w(r392f) & - w(r393f) & - w(r394f) & - w(r395f) & - w(r396f) & - w(r398f) & - w(r399f) & - w(r400f) & - w(r401f) & - w(r402f) & - w(r403f) & - w(r404f) & - w(r405f) & - w(r406f) & - w(r407f) & - w(r408f) & - w(r409f) & - w(r410f) & - w(r411f) & - w(r412f) cdot(sH) = 0.0_pr & + 2.0_pr * w(r1f) & - 2.0_pr * w(r1b) & - w(r2f) & + w(r2b) & - w(r3f) & + w(r3b) & - w(r5f) & + w(r5b) & - w(r6f) & + w(r6b) & - w(r7f) & + w(r7b) & - w(r9f) & + w(r9b) & - w(r10f) & + w(r10b) & - w(r12f) & + w(r12b) & - w(r13f) & + w(r13b) & - w(r14f) & + w(r14b) & - w(r18f) & + w(r18b) & + w(r19f) & - w(r19b) & + w(r20f) & - w(r20b) & - w(r24f) & + w(r24b) & + w(r25f) & - w(r25b) & - w(r33f) & + w(r33b) & - w(r34f) & + w(r34b) & - w(r49f) & + w(r49b) & - w(r50f) & + w(r50b) & - w(r51f) & + w(r51b) & - w(r52f) & + w(r52b) & - w(r53f) & + w(r53b) & - w(r56f) & + w(r56b) & + w(r58f) & - w(r58b) & + w(r61f) & - w(r61b) & + w(r62f) & - w(r62b) & + w(r63f) & - w(r63b) & + w(r66f) & - w(r66b) & + w(r69f) & - w(r69b) & + w(r70f) & - w(r70b) & - w(r71f) & + w(r71b) & + w(r74f) & - w(r102f) & + w(r105f) & - w(r105b) & - w(r106f) & + w(r106b) & - w(r108f) & + w(r108b) & - w(r110f) & + w(r110b) & - w(r114f) & + w(r114b) & - w(r115f) & + w(r115b) & - w(r116f) & + w(r116b) & - w(r117f) & + w(r117b) & - w(r118f) & + w(r118b) & - w(r121f) & + w(r121b) & - w(r122f) & + w(r122b) & + w(r125f) & - w(r125b) & + w(r128f) & - w(r128b) & + w(r130f) & - w(r130b) & - w(r135f) & + w(r135b) & - w(r136f) & + w(r136b) & + w(r137f) & + w(r138f) & + w(r139f) & + w(r140f) & + w(r141f) & + w(r142f) & + w(r143f) & + w(r144f) & - w(r160f) & - w(r207f) & - w(r256f) & - w(r272f) & - w(r289f) & - w(r306f) & - w(r337f) cdot(sCH3) = 0.0_pr & - w(r3f) & + w(r3b) & -2.0_pr * w(r4f) & + 2.0_pr * w(r4b) & - w(r8f) & + w(r8b) & - w(r15f) & + w(r15b) & + w(r17f) & - w(r17b) & - w(r26f) & -2.0_pr * w(r27f) & - w(r28f) & + w(r28b) & + w(r29f) & + w(r54f) & - w(r54b) & - w(r55f) & + w(r55b) & + w(r57f) & - w(r57b) & + w(r60f) & - w(r60b) & + w(r68f) & - w(r68b) & -2.0_pr * w(r69f) & + 2.0_pr * w(r69b) & - w(r70f) & + w(r70b) & + w(r71f) & - w(r71b) & - w(r74f) & - w(r75f) & + 0.5_pr * w(r77f) & + 0.2_pr * w(r80f) & + w(r84f) & + w(r98f) & - w(r100f) & + w(r100b) & - w(r105f) & + w(r105b) & - w(r112f) & + w(r112b) & - w(r113f) & + w(r113b) & + w(r115f) & - w(r115b) & + w(r127f) & - w(r127b) & + w(r129f) & - w(r129b) & + w(r145f) & + w(r146f) & + w(r147f) & + w(r148f) & + w(r149f) & + w(r150f) & + w(r151f) & + w(r152f) & + w(r153f) & + w(r154f) & + w(r155f) & + w(r156f) & + w(r157f) & + w(r158f) & + w(r159f) & - w(r161f) & - w(r177f) & - w(r192f) & - w(r209f) & - w(r225f) & - w(r241f) & - w(r258f) & - w(r274f) & - w(r291f) & - w(r308f) & - w(r323f) & - w(r339f) & - w(r383f) & - w(r399f) cdot(sC2H5) = 0.0_pr & - w(r5f) & + w(r5b) & - w(r8f) & + w(r8b) & - w(r16f) & + w(r16b) & + w(r25f) & - w(r25b) & + w(r29f) & - w(r30f) & - w(r31f) & - w(r32f) & + w(r35f) & - w(r35b) & + w(r37f) & - w(r37b) & + w(r38f) & - w(r38b) & + w(r50f) & - w(r50b) & + w(r69f) & - w(r69b) & - w(r76f) & - w(r77f) & - w(r78f) & + w(r79f) & + 0.8_pr * w(r80f) & + 0.2_pr * w(r83f) & + 0.15_pr * w(r86f) & + 0.8_pr * w(r87f) & + 0.5_pr * w(r99f) & + w(r116f) & - w(r116b) & + 2.0_pr * w(r123f) & - 2.0_pr * w(r123b) & + w(r124f) & - w(r124b) & - w(r131f) & - w(r146f) & - w(r162f) & + w(r176f) & + w(r177f) & + w(r178f) & + w(r179f) & + w(r180f) & + w(r181f) & + w(r182f) & + w(r183f) & + w(r184f) & + w(r185f) & + w(r186f) & + w(r187f) & + w(r188f) & + w(r189f) & + w(r190f) & + w(r191f) & - w(r193f) & - w(r210f) & - w(r226f) & - w(r242f) & - w(r259f) & - w(r275f) & - w(r292f) & - w(r309f) & - w(r324f) & - w(r340f) & - w(r354f) & - w(r368f) & - w(r384f) & - w(r400f) cdot(sC3H3) = 0.0_pr & - w(r13f) & + w(r13b) & - w(r14f) & + w(r14b) & -2.0_pr * w(r40f) & - w(r42f) & - w(r72f) & - w(r73f) & - w(r82f) & + w(r85f) & + w(r108f) & - w(r108b) & + w(r109f) & - w(r109b) & + w(r110f) & - w(r110b) & + w(r111f) & - w(r111b) & + w(r112f) & - w(r112b) & + w(r113f) & - w(r113b) & - w(r166f) & - w(r182f) & - w(r197f) & - w(r215f) & - w(r230f) & - w(r246f) & - w(r280f) & - w(r297f) & - w(r314f) & - w(r345f) & + w(r354f) & + w(r355f) & + w(r356f) & + w(r357f) & + w(r358f) & + w(r360f) & + w(r361f) & + w(r362f) & + w(r363f) & + w(r364f) & + w(r365f) & + w(r366f) & + w(r367f) & + w(r368f) & + w(r369f) & + w(r370f) & + w(r371f) & + w(r372f) & + w(r373f) & + w(r374f) & + w(r375f) & + w(r376f) & + w(r377f) & + w(r378f) & + w(r379f) & + w(r380f) & + w(r381f) & - w(r389f) & - w(r405f) cdot(sCH2CHCH2) = 0.0_pr & - w(r6f) & + w(r6b) & - w(r7f) & + w(r7b) & + w(r17f) & - w(r17b) & + w(r36f) & - w(r36b) & + w(r38f) & - w(r38b) & -2.0_pr * w(r41f) & - w(r42f) & - w(r43f) & - w(r44f) & + w(r52f) & - w(r52b) & + w(r70f) & - w(r70b) & + w(r75f) & - w(r83f) & + 0.85_pr * w(r86f) & + 0.1_pr * w(r87f) & + w(r106f) & - w(r106b) & + w(r119f) & - w(r147f) & - w(r163f) & - w(r178f) & + w(r192f) & + w(r193f) & + w(r194f) & + w(r195f) & + w(r196f) & + w(r197f) & + w(r198f) & + w(r199f) & + w(r200f) & + w(r201f) & + w(r202f) & + w(r203f) & + w(r204f) & + w(r205f) & + w(r206f) & - w(r211f) & - w(r227f) & - w(r243f) & - w(r260f) & - w(r276f) & - w(r293f) & - w(r310f) & - w(r325f) & - w(r341f) & - w(r355f) & - w(r369f) & - w(r385f) & - w(r401f) cdot(sSC4H7) = 0.0_pr & - w(r18f) & + w(r18b) & - w(r32f) & - w(r39f) & - w(r43f) & -2.0_pr * w(r45f) & - w(r46f) & + w(r47f) & - w(r47b) & - w(r63f) & + w(r63b) & + w(r64f) & - w(r64b) & - w(r72f) & + w(r78f) & - w(r86f) & - w(r101f) & - w(r139f) & - w(r152f) & - w(r168f) & - w(r184f) & - w(r199f) & - w(r217f) & - w(r232f) & - w(r248f) & - w(r264f) & + w(r272f) & + w(r273f) & + w(r274f) & + w(r275f) & + w(r276f) & + w(r277f) & + w(r278f) & + w(r279f) & + w(r280f) & + w(r281f) & + w(r282f) & + w(r283f) & + w(r284f) & + w(r285f) & + w(r286f) & + w(r287f) & + w(r288f) & - w(r299f) & - w(r316f) & - w(r329f) & - w(r347f) & - w(r361f) & - w(r374f) & - w(r391f) & - w(r407f) 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) :: OH_ct real(pr) :: OH_num real(pr) :: OH_denom real(pr) :: OH_C2H3 real(pr) :: OH_CH2CHO real(pr) :: OH_NC3H7 real(pr) :: OH_IC3H7 real(pr) :: OH_C4H5 real(pr) :: OH_CH2C3H5 real(pr) :: OH_IC4H7 real(pr) :: OH_NC4H9S real(pr) :: OH_NC4H9P real(pr) :: OH_C3H5GL1G real(pr) :: C2H3_ct real(pr) :: C2H3_num real(pr) :: C2H3_denom real(pr) :: C2H3_OH real(pr) :: C2H3_CH2CHO real(pr) :: C2H3_NC3H7 real(pr) :: C2H3_IC3H7 real(pr) :: C2H3_C4H5 real(pr) :: C2H3_CH2C3H5 real(pr) :: C2H3_IC4H7 real(pr) :: C2H3_NC4H9S real(pr) :: C2H3_NC4H9P real(pr) :: C2H3_C3H5GL1G real(pr) :: CH2CHO_ct real(pr) :: CH2CHO_num real(pr) :: CH2CHO_denom real(pr) :: CH2CHO_OH real(pr) :: CH2CHO_C2H3 real(pr) :: CH2CHO_NC3H7 real(pr) :: CH2CHO_IC3H7 real(pr) :: CH2CHO_C4H5 real(pr) :: CH2CHO_CH2C3H5 real(pr) :: CH2CHO_IC4H7 real(pr) :: CH2CHO_NC4H9S real(pr) :: CH2CHO_NC4H9P real(pr) :: CH2CHO_C3H5GL1G real(pr) :: NC3H7_ct real(pr) :: NC3H7_num real(pr) :: NC3H7_denom real(pr) :: NC3H7_OH real(pr) :: NC3H7_C2H3 real(pr) :: NC3H7_CH2CHO real(pr) :: NC3H7_IC3H7 real(pr) :: NC3H7_C4H5 real(pr) :: NC3H7_CH2C3H5 real(pr) :: NC3H7_IC4H7 real(pr) :: NC3H7_NC4H9S real(pr) :: NC3H7_NC4H9P real(pr) :: NC3H7_C3H5GL1G real(pr) :: IC3H7_ct real(pr) :: IC3H7_num real(pr) :: IC3H7_denom real(pr) :: IC3H7_OH real(pr) :: IC3H7_C2H3 real(pr) :: IC3H7_CH2CHO real(pr) :: IC3H7_NC3H7 real(pr) :: IC3H7_C4H5 real(pr) :: IC3H7_CH2C3H5 real(pr) :: IC3H7_IC4H7 real(pr) :: IC3H7_NC4H9S real(pr) :: IC3H7_NC4H9P real(pr) :: IC3H7_C3H5GL1G real(pr) :: C4H5_ct real(pr) :: C4H5_num real(pr) :: C4H5_denom real(pr) :: C4H5_OH real(pr) :: C4H5_C2H3 real(pr) :: C4H5_CH2CHO real(pr) :: C4H5_NC3H7 real(pr) :: C4H5_IC3H7 real(pr) :: C4H5_CH2C3H5 real(pr) :: C4H5_IC4H7 real(pr) :: C4H5_NC4H9S real(pr) :: C4H5_NC4H9P real(pr) :: C4H5_C3H5GL1G real(pr) :: CH2C3H5_ct real(pr) :: CH2C3H5_num real(pr) :: CH2C3H5_denom real(pr) :: CH2C3H5_OH real(pr) :: CH2C3H5_C2H3 real(pr) :: CH2C3H5_CH2CHO real(pr) :: CH2C3H5_NC3H7 real(pr) :: CH2C3H5_IC3H7 real(pr) :: CH2C3H5_C4H5 real(pr) :: CH2C3H5_IC4H7 real(pr) :: CH2C3H5_NC4H9S real(pr) :: CH2C3H5_NC4H9P real(pr) :: CH2C3H5_C3H5GL1G real(pr) :: IC4H7_ct real(pr) :: IC4H7_num real(pr) :: IC4H7_denom real(pr) :: IC4H7_OH real(pr) :: IC4H7_C2H3 real(pr) :: IC4H7_CH2CHO real(pr) :: IC4H7_NC3H7 real(pr) :: IC4H7_IC3H7 real(pr) :: IC4H7_C4H5 real(pr) :: IC4H7_CH2C3H5 real(pr) :: IC4H7_NC4H9S real(pr) :: IC4H7_NC4H9P real(pr) :: IC4H7_C3H5GL1G real(pr) :: IC4H9P_ct real(pr) :: IC4H9P_num real(pr) :: IC4H9P_denom real(pr) :: NC4H9S_ct real(pr) :: NC4H9S_num real(pr) :: NC4H9S_denom real(pr) :: NC4H9S_OH real(pr) :: NC4H9S_C2H3 real(pr) :: NC4H9S_CH2CHO real(pr) :: NC4H9S_NC3H7 real(pr) :: NC4H9S_IC3H7 real(pr) :: NC4H9S_C4H5 real(pr) :: NC4H9S_CH2C3H5 real(pr) :: NC4H9S_IC4H7 real(pr) :: NC4H9S_NC4H9P real(pr) :: NC4H9S_C3H5GL1G real(pr) :: NC4H9P_ct real(pr) :: NC4H9P_num real(pr) :: NC4H9P_denom real(pr) :: NC4H9P_OH real(pr) :: NC4H9P_C2H3 real(pr) :: NC4H9P_CH2CHO real(pr) :: NC4H9P_NC3H7 real(pr) :: NC4H9P_IC3H7 real(pr) :: NC4H9P_C4H5 real(pr) :: NC4H9P_CH2C3H5 real(pr) :: NC4H9P_IC4H7 real(pr) :: NC4H9P_NC4H9S real(pr) :: NC4H9P_C3H5GL1G real(pr) :: C3H5GL1G_ct real(pr) :: C3H5GL1G_num real(pr) :: C3H5GL1G_denom real(pr) :: C3H5GL1G_OH real(pr) :: C3H5GL1G_C2H3 real(pr) :: C3H5GL1G_CH2CHO real(pr) :: C3H5GL1G_NC3H7 real(pr) :: C3H5GL1G_IC3H7 real(pr) :: C3H5GL1G_C4H5 real(pr) :: C3H5GL1G_CH2C3H5 real(pr) :: C3H5GL1G_IC4H7 real(pr) :: C3H5GL1G_NC4H9S real(pr) :: C3H5GL1G_NC4H9P real(pr) :: a_l_a real(pr) :: a_m_a real(pr) :: a_n_a real(pr) :: a_o_a real(pr) :: a_p_a real(pr) :: a_q_a real(pr) :: a_r_a real(pr) :: a_s_a real(pr) :: a_t_a real(pr) :: a_u_a real(pr) :: a_w_a real(pr) :: a_x_a real(pr) :: a_y_a real(pr) :: a_z_a real(pr) :: a_aa_a real(pr) :: a_ab_a real(pr) :: a_ac_a real(pr) :: a_ad_a real(pr) :: a_ae_a real(pr) :: a_af_a real(pr) :: a_ah_a real(pr) :: a_ai_a real(pr) :: a_aj_a real(pr) :: a_ak_a real(pr) :: a_al_a real(pr) :: a_am_a real(pr) :: a_an_a real(pr) :: a_ao_a real(pr) :: a_ap_a real(pr) :: a_aq_a real(pr) :: a_as_a real(pr) :: a_at_a real(pr) :: a_au_a real(pr) :: a_av_a real(pr) :: a_aw_a real(pr) :: a_ax_a real(pr) :: a_ay_a real(pr) :: a_bz_a real(pr) :: a_ba_a real(pr) :: a_bb_a real(pr) :: a_bd_a real(pr) :: a_be_a real(pr) :: a_bf_a real(pr) :: a_bg_a real(pr) :: a_bh_a real(pr) :: a_bi_a real(pr) :: a_bj_a real(pr) :: a_bk_a real(pr) :: a_bl_a real(pr) :: a_bm_a real(pr) :: a_bo_a real(pr) :: a_bp_a real(pr) :: a_bq_a real(pr) :: a_br_a real(pr) :: a_bs_a real(pr) :: a_bt_a real(pr) :: a_bu_a real(pr) :: a_bv_a real(pr) :: a_bw_a real(pr) :: a_bx_a real(pr) :: a_cz_a real(pr) :: a_ca_a real(pr) :: a_cb_a real(pr) :: a_cc_a real(pr) :: a_cd_a real(pr) :: a_ce_a real(pr) :: a_cf_a real(pr) :: a_cg_a real(pr) :: a_ch_a real(pr) :: a_ci_a real(pr) :: a_ck_a real(pr) :: a_cl_a real(pr) :: a_cm_a real(pr) :: a_cn_a real(pr) :: a_co_a real(pr) :: a_cp_a real(pr) :: a_cq_a real(pr) :: a_cr_a real(pr) :: a_cs_a real(pr) :: a_ct_a real(pr) :: a_cv_a real(pr) :: a_cw_a real(pr) :: a_cx_a real(pr) :: a_cy_a real(pr) :: a_dz_a real(pr) :: a_da_a real(pr) :: a_db_a real(pr) :: a_dc_a real(pr) :: a_dd_a real(pr) :: a_de_a real(pr) :: a_dg_a real(pr) :: a_dh_a real(pr) :: a_di_a real(pr) :: a_dj_a real(pr) :: a_dk_a real(pr) :: a_dl_a real(pr) :: a_dm_a real(pr) :: a_dn_a real(pr) :: a_do_a real(pr) :: a_dp_a real(pr) :: a_x_b real(pr) :: a_y_b real(pr) :: a_z_b real(pr) :: a_aa_b real(pr) :: a_ab_b real(pr) :: a_ac_b real(pr) :: a_ad_b real(pr) :: a_ae_b real(pr) :: a_af_b real(pr) :: a_ai_b real(pr) :: a_aj_b real(pr) :: a_ak_b real(pr) :: a_al_b real(pr) :: a_am_b real(pr) :: a_an_b real(pr) :: a_ao_b real(pr) :: a_ap_b real(pr) :: a_aq_b real(pr) :: a_at_b real(pr) :: a_au_b real(pr) :: a_av_b real(pr) :: a_aw_b real(pr) :: a_ax_b real(pr) :: a_ay_b real(pr) :: a_bz_b real(pr) :: a_ba_b real(pr) :: a_bb_b real(pr) :: a_be_b real(pr) :: a_bf_b real(pr) :: a_bg_b real(pr) :: a_bh_b real(pr) :: a_bi_b real(pr) :: a_bj_b real(pr) :: a_bk_b real(pr) :: a_bl_b real(pr) :: a_bm_b real(pr) :: a_bp_b real(pr) :: a_bq_b real(pr) :: a_br_b real(pr) :: a_bs_b real(pr) :: a_bt_b real(pr) :: a_bu_b real(pr) :: a_bv_b real(pr) :: a_bw_b real(pr) :: a_bx_b real(pr) :: a_ca_b real(pr) :: a_cb_b real(pr) :: a_cc_b real(pr) :: a_cd_b real(pr) :: a_ce_b real(pr) :: a_cf_b real(pr) :: a_cg_b real(pr) :: a_ch_b real(pr) :: a_ci_b real(pr) :: a_cl_b real(pr) :: a_cm_b real(pr) :: a_cn_b real(pr) :: a_co_b real(pr) :: a_cp_b real(pr) :: a_cq_b real(pr) :: a_cr_b real(pr) :: a_cs_b real(pr) :: a_ct_b real(pr) :: a_cw_b real(pr) :: a_cx_b real(pr) :: a_cy_b real(pr) :: a_dz_b real(pr) :: a_da_b real(pr) :: a_db_b real(pr) :: a_dc_b real(pr) :: a_dd_b real(pr) :: a_de_b real(pr) :: a_dh_b real(pr) :: a_di_b real(pr) :: a_dj_b real(pr) :: a_dk_b real(pr) :: a_dl_b real(pr) :: a_dm_b real(pr) :: a_dn_b real(pr) :: a_do_b real(pr) :: a_dp_b real(pr) :: a_aj_c real(pr) :: a_ak_c real(pr) :: a_al_c real(pr) :: a_am_c real(pr) :: a_an_c real(pr) :: a_ao_c real(pr) :: a_ap_c real(pr) :: a_aq_c real(pr) :: a_au_c real(pr) :: a_av_c real(pr) :: a_aw_c real(pr) :: a_ax_c real(pr) :: a_ay_c real(pr) :: a_bz_c real(pr) :: a_ba_c real(pr) :: a_bb_c real(pr) :: a_bf_c real(pr) :: a_bg_c real(pr) :: a_bh_c real(pr) :: a_bi_c real(pr) :: a_bj_c real(pr) :: a_bk_c real(pr) :: a_bl_c real(pr) :: a_bm_c real(pr) :: a_bq_c real(pr) :: a_br_c real(pr) :: a_bs_c real(pr) :: a_bt_c real(pr) :: a_bu_c real(pr) :: a_bv_c real(pr) :: a_bw_c real(pr) :: a_bx_c real(pr) :: a_cb_c real(pr) :: a_cc_c real(pr) :: a_cd_c real(pr) :: a_ce_c real(pr) :: a_cf_c real(pr) :: a_cg_c real(pr) :: a_ch_c real(pr) :: a_ci_c real(pr) :: a_cm_c real(pr) :: a_cn_c real(pr) :: a_co_c real(pr) :: a_cp_c real(pr) :: a_cq_c real(pr) :: a_cr_c real(pr) :: a_cs_c real(pr) :: a_ct_c real(pr) :: a_cx_c real(pr) :: a_cy_c real(pr) :: a_dz_c real(pr) :: a_da_c real(pr) :: a_db_c real(pr) :: a_dc_c real(pr) :: a_dd_c real(pr) :: a_de_c real(pr) :: a_di_c real(pr) :: a_dj_c real(pr) :: a_dk_c real(pr) :: a_dl_c real(pr) :: a_dm_c real(pr) :: a_dn_c real(pr) :: a_do_c real(pr) :: a_dp_c real(pr) :: a_av_d real(pr) :: a_aw_d real(pr) :: a_ax_d real(pr) :: a_ay_d real(pr) :: a_bz_d real(pr) :: a_ba_d real(pr) :: a_bb_d real(pr) :: a_bg_d real(pr) :: a_bh_d real(pr) :: a_bi_d real(pr) :: a_bj_d real(pr) :: a_bk_d real(pr) :: a_bl_d real(pr) :: a_bm_d real(pr) :: a_br_d real(pr) :: a_bs_d real(pr) :: a_bt_d real(pr) :: a_bu_d real(pr) :: a_bv_d real(pr) :: a_bw_d real(pr) :: a_bx_d real(pr) :: a_cc_d real(pr) :: a_cd_d real(pr) :: a_ce_d real(pr) :: a_cf_d real(pr) :: a_cg_d real(pr) :: a_ch_d real(pr) :: a_ci_d real(pr) :: a_cn_d real(pr) :: a_co_d real(pr) :: a_cp_d real(pr) :: a_cq_d real(pr) :: a_cr_d real(pr) :: a_cs_d real(pr) :: a_ct_d real(pr) :: a_cy_d real(pr) :: a_dz_d real(pr) :: a_da_d real(pr) :: a_db_d real(pr) :: a_dc_d real(pr) :: a_dd_d real(pr) :: a_de_d real(pr) :: a_dj_d real(pr) :: a_dk_d real(pr) :: a_dl_d real(pr) :: a_dm_d real(pr) :: a_dn_d real(pr) :: a_do_d real(pr) :: a_dp_d real(pr) :: a_bh_e real(pr) :: a_bi_e real(pr) :: a_bj_e real(pr) :: a_bk_e real(pr) :: a_bl_e real(pr) :: a_bm_e real(pr) :: a_bs_e real(pr) :: a_bt_e real(pr) :: a_bu_e real(pr) :: a_bv_e real(pr) :: a_bw_e real(pr) :: a_bx_e real(pr) :: a_cd_e real(pr) :: a_ce_e real(pr) :: a_cf_e real(pr) :: a_cg_e real(pr) :: a_ch_e real(pr) :: a_ci_e real(pr) :: a_co_e real(pr) :: a_cp_e real(pr) :: a_cq_e real(pr) :: a_cr_e real(pr) :: a_cs_e real(pr) :: a_ct_e real(pr) :: a_dz_e real(pr) :: a_da_e real(pr) :: a_db_e real(pr) :: a_dc_e real(pr) :: a_dd_e real(pr) :: a_de_e real(pr) :: a_dk_e real(pr) :: a_dl_e real(pr) :: a_dm_e real(pr) :: a_dn_e real(pr) :: a_do_e real(pr) :: a_dp_e real(pr) :: a_bt_f real(pr) :: a_bu_f real(pr) :: a_bv_f real(pr) :: a_bw_f real(pr) :: a_bx_f real(pr) :: a_ce_f real(pr) :: a_cf_f real(pr) :: a_cg_f real(pr) :: a_ch_f real(pr) :: a_ci_f real(pr) :: a_cp_f real(pr) :: a_cq_f real(pr) :: a_cr_f real(pr) :: a_cs_f real(pr) :: a_ct_f real(pr) :: a_da_f real(pr) :: a_db_f real(pr) :: a_dc_f real(pr) :: a_dd_f real(pr) :: a_de_f real(pr) :: a_dl_f real(pr) :: a_dm_f real(pr) :: a_dn_f real(pr) :: a_do_f real(pr) :: a_dp_f real(pr) :: a_cf_g real(pr) :: a_cg_g real(pr) :: a_ch_g real(pr) :: a_ci_g real(pr) :: a_cq_g real(pr) :: a_cr_g real(pr) :: a_cs_g real(pr) :: a_ct_g real(pr) :: a_db_g real(pr) :: a_dc_g real(pr) :: a_dd_g real(pr) :: a_de_g real(pr) :: a_dm_g real(pr) :: a_dn_g real(pr) :: a_do_g real(pr) :: a_dp_g real(pr) :: a_cr_h real(pr) :: a_cs_h real(pr) :: a_ct_h real(pr) :: a_dc_h real(pr) :: a_dd_h real(pr) :: a_de_h real(pr) :: a_dn_h real(pr) :: a_do_h real(pr) :: a_dp_h real(pr) :: a_dd_i real(pr) :: a_de_i real(pr) :: a_do_i real(pr) :: a_dp_i real(pr) :: a_dp_j 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 CH2C3H5_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r64f)& + k(r65f)& + k(r66f)& + k(r67f)& + k(r87f)* c(sC2H4) & + k(r88f)* c(sC3H6) & + k(r133f)* c(sNC4H8) & + k(r143f)* c(sH2) & + k(r156f)* c(sCH4) & + k(r172f)* c(sC2H4) & + k(r188f)* c(sC2H6) & + k(r203f)* c(sC3H6) & + k(r220f)* c(sC3H6) & + k(r236f)* c(sC3H8) & + k(r252f)* c(sC3H8) & + k(r268f)* c(sC4H6) & + k(r285f)* c(sNC4H8) & + k(r319f)* c(sIC4H8) & + k(r333f)* c(sH2O) & + k(r351f)* c(sCH3CHO) & + k(r364f)* c(sPC3H4) & + k(r378f)* c(sAC3H4) & + k(r395f)* c(sNC4H10) & + k(r411f)* c(sNC4H10) ) CH2C3H5_num = ( 0.0_pr & + k(r76f)* c(sC2H2) * c(sC2H5) & +0.8_pr * k(r83f)* c(sC3H6) * c(sCH2CHCH2) & + k(r289f)* c(sH) * c(sNC4H8) & + k(r291f)* c(sCH3) * c(sNC4H8) & + k(r292f)* c(sC2H5) * c(sNC4H8) & + k(r293f)* c(sCH2CHCH2) * c(sNC4H8) & + k(r297f)* c(sC3H3) * c(sNC4H8) & + k(r299f)* c(sNC4H8) * c(sSC4H7) & + k(r64b)* c(sSC4H7) & + k(r66b)* c(sC4H6) * c(sH) ) CH2C3H5_ct = CH2C3H5_num / CH2C3H5_denom CH2C3H5_OH = - ( 0.0_pr & + k(r290f) * c(sNC4H8) ) / CH2C3H5_denom CH2C3H5_C2H3 = - ( 0.0_pr & + k(r296f) * c(sNC4H8) & + k(r65b) * c(sC2H4) ) / CH2C3H5_denom CH2C3H5_CH2CHO = - ( 0.0_pr & + k(r303f) * c(sNC4H8) ) / CH2C3H5_denom CH2C3H5_NC3H7 = - ( 0.0_pr & + k(r294f) * c(sNC4H8) ) / CH2C3H5_denom CH2C3H5_IC3H7 = - ( 0.0_pr & + k(r295f) * c(sNC4H8) ) / CH2C3H5_denom CH2C3H5_C4H5 = - ( 0.0_pr & + k(r298f) * c(sNC4H8) ) / CH2C3H5_denom CH2C3H5_IC4H7 = - ( 0.0_pr & + k(r300f) * c(sNC4H8) ) / CH2C3H5_denom CH2C3H5_NC4H9S = - ( 0.0_pr & + k(r305f) * c(sNC4H8) ) / CH2C3H5_denom CH2C3H5_NC4H9P = - ( 0.0_pr & + k(r304f) * c(sNC4H8) ) / CH2C3H5_denom CH2C3H5_C3H5GL1G = - ( 0.0_pr & + k(r301f) * c(sNC4H8) & + k(r302f) * c(sNC4H8) ) / CH2C3H5_denom C3H5GL1G_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r54f)& + k(r55f)* c(sCH3) & + k(r57f)& + k(r84f)* c(sC2H4) & + k(r85f)* c(sPC3H4) & + k(r141f)* c(sH2) & + k(r142f)* c(sH2) & + k(r154f)* c(sCH4) & + k(r155f)* c(sCH4) & + k(r170f)* c(sC2H4) & + k(r171f)* c(sC2H4) & + k(r186f)* c(sC2H6) & + k(r187f)* c(sC2H6) & + k(r201f)* c(sC3H6) & + k(r202f)* c(sC3H6) & + k(r219f)* c(sC3H6) & + k(r234f)* c(sC3H8) & + k(r235f)* c(sC3H8) & + k(r250f)* c(sC3H8) & + k(r251f)* c(sC3H8) & + k(r266f)* c(sC4H6) & + k(r267f)* c(sC4H6) & + k(r283f)* c(sNC4H8) & + k(r284f)* c(sNC4H8) & + k(r301f)* c(sNC4H8) & + k(r302f)* c(sNC4H8) & + k(r317f)* c(sIC4H8) & + k(r318f)* c(sIC4H8) & + k(r331f)* c(sH2O) & + k(r332f)* c(sH2O) & + k(r349f)* c(sCH3CHO) & + k(r350f)* c(sCH3CHO) & + k(r363f)* c(sPC3H4) & + k(r376f)* c(sAC3H4) & + k(r377f)* c(sAC3H4) & + k(r393f)* c(sNC4H10) & + k(r394f)* c(sNC4H10) & + k(r409f)* c(sNC4H10) & + k(r410f)* c(sNC4H10) & + k(r51b)& + k(r53b)& + k(r56b) ) C3H5GL1G_num = ( 0.0_pr & + k(r51f)* c(sH) * c(sPC3H4) & + k(r53f)* c(sAC3H4) * c(sH) & + k(r56f)* c(sH) * c(sPC3H4) & + k(r207f)* c(sC3H6) * c(sH) & + k(r209f)* c(sC3H6) * c(sCH3) & + k(r210f)* c(sC2H5) * c(sC3H6) & + k(r211f)* c(sC3H6) * c(sCH2CHCH2) & + k(r215f)* c(sC3H3) * c(sC3H6) & + k(r217f)* c(sC3H6) * c(sSC4H7) & + k(r54b)* c(sC2H2) * c(sCH3) & + k(r55b)* c(sNC4H8) & + k(r57b)* c(sC2H2) * c(sCH3) ) C3H5GL1G_ct = C3H5GL1G_num / C3H5GL1G_denom C3H5GL1G_OH = - ( 0.0_pr & + k(r104f) * 0.55_pr * c(sC4H6) & + k(r208f) * c(sC3H6) ) / C3H5GL1G_denom C3H5GL1G_C2H3 = - ( 0.0_pr & + k(r214f) * c(sC3H6) ) / C3H5GL1G_denom C3H5GL1G_CH2CHO = - ( 0.0_pr & + k(r221f) * c(sC3H6) ) / C3H5GL1G_denom C3H5GL1G_NC3H7 = - ( 0.0_pr & + k(r212f) * c(sC3H6) ) / C3H5GL1G_denom C3H5GL1G_IC3H7 = - ( 0.0_pr & + k(r213f) * c(sC3H6) ) / C3H5GL1G_denom C3H5GL1G_C4H5 = - ( 0.0_pr & + k(r216f) * c(sC3H6) ) / C3H5GL1G_denom C3H5GL1G_CH2C3H5 = - ( 0.0_pr & + k(r87f) * 0.1_pr * c(sC2H4) & + k(r220f) * c(sC3H6) ) / C3H5GL1G_denom C3H5GL1G_IC4H7 = - ( 0.0_pr & + k(r120f) * 0.67_pr * c(sC2H4) & + k(r218f) * c(sC3H6) ) / C3H5GL1G_denom C3H5GL1G_NC4H9S = - ( 0.0_pr & + k(r223f) * c(sC3H6) ) / C3H5GL1G_denom C3H5GL1G_NC4H9P = - ( 0.0_pr & + k(r222f) * c(sC3H6) ) / C3H5GL1G_denom OH_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r2f)* c(sH) * m(mM2) & + k(r98f)* c(sC3H6) & + k(r99f)* c(sNC4H8) & + k(r100f)* c(sCH3) & + k(r101f)* c(sSC4H7) & + k(r103f)* c(sC2H2) & + k(r104f)* c(sC4H6) & + k(r107f)* c(sC2H4) & + k(r109f)* c(sAC3H4) & + k(r111f)* c(sPC3H4) & + k(r119f)* c(sC3H6) & + k(r145f)* c(sCH4) & + k(r176f)* c(sC2H6) & + k(r208f)* c(sC3H6) & + k(r224f)* c(sC3H8) & + k(r240f)* c(sC3H8) & + k(r257f)* c(sC4H6) & + k(r273f)* c(sNC4H8) & + k(r290f)* c(sNC4H8) & + k(r307f)* c(sIC4H8) & + k(r338f)* c(sCH3CHO) & + k(r382f)* c(sNC4H10) & + k(r398f)* c(sNC4H10) & + k(r114b)* c(sH2) ) OH_num = ( 0.0_pr & + k(r114f)* c(sH) * c(sH2O) & + k(r323f)* c(sCH3) * c(sH2O) & + k(r324f)* c(sC2H5) * c(sH2O) & + k(r325f)* c(sCH2CHCH2) * c(sH2O) & + k(r329f)* c(sH2O) * c(sSC4H7) & + k(r2b)* c(sH2O) * m(mM2) & + k(r100b)* c(sCH2O) * c(sH2) & + k(r109b)* c(sC3H3) * c(sH2O) & + k(r111b)* c(sC3H3) * c(sH2O) ) OH_ct = OH_num / OH_denom OH_C2H3 = - ( 0.0_pr & + k(r107b) * c(sH2O) ) / OH_denom OH_CH2CHO = - ( 0.0_pr & + k(r334f) * c(sH2O) ) / OH_denom OH_NC3H7 = - ( 0.0_pr & + k(r326f) * c(sH2O) ) / OH_denom OH_IC3H7 = - ( 0.0_pr & + k(r327f) * c(sH2O) ) / OH_denom OH_C4H5 = - ( 0.0_pr & + k(r328f) * c(sH2O) ) / OH_denom OH_CH2C3H5 = - ( 0.0_pr & + k(r333f) * c(sH2O) ) / OH_denom OH_IC4H7 = - ( 0.0_pr & + k(r330f) * c(sH2O) ) / OH_denom OH_NC4H9S = - ( 0.0_pr & + k(r336f) * c(sH2O) ) / OH_denom OH_NC4H9P = - ( 0.0_pr & + k(r335f) * c(sH2O) ) / OH_denom OH_C3H5GL1G = - ( 0.0_pr & + k(r331f) * c(sH2O) & + k(r332f) * c(sH2O) ) / OH_denom NC4H9P_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r121f)* c(sH) & + k(r124f)& + k(r125f)& + k(r126f)& + k(r132f)* c(sC2H4) & + k(r158f)* c(sCH4) & + k(r174f)* c(sC2H4) & + k(r190f)* c(sC2H6) & + k(r205f)* c(sC3H6) & + k(r222f)* c(sC3H6) & + k(r238f)* c(sC3H8) & + k(r254f)* c(sC3H8) & + k(r270f)* c(sC4H6) & + k(r287f)* c(sNC4H8) & + k(r304f)* c(sNC4H8) & + k(r321f)* c(sIC4H8) & + k(r335f)* c(sH2O) & + k(r352f)* c(sCH3CHO) & + k(r366f)* c(sPC3H4) & + k(r380f)* c(sAC3H4) & + k(r413f)* c(sNC4H10) & + k(r135b)* c(sH2) ) NC4H9P_num = ( 0.0_pr & +0.23_pr * k(r131f)* c(sC2H5) * c(sNC4H8) & + k(r135f)* c(sH) * c(sNC4H10) & + k(r383f)* c(sCH3) * c(sNC4H10) & + k(r384f)* c(sC2H5) * c(sNC4H10) & + k(r385f)* c(sCH2CHCH2) * c(sNC4H10) & + k(r389f)* c(sC3H3) * c(sNC4H10) & + k(r391f)* c(sNC4H10) * c(sSC4H7) & + k(r121b)* c(sNC4H10) & + k(r124b)* c(sC2H4) * c(sC2H5) & + k(r125b)* c(sH) * c(sNC4H8) ) NC4H9P_ct = NC4H9P_num / NC4H9P_denom NC4H9P_OH = - ( 0.0_pr & + k(r382f) * c(sNC4H10) ) / NC4H9P_denom NC4H9P_C2H3 = - ( 0.0_pr & + k(r388f) * c(sNC4H10) ) / NC4H9P_denom NC4H9P_CH2CHO = - ( 0.0_pr & + k(r396f) * c(sNC4H10) ) / NC4H9P_denom NC4H9P_NC3H7 = - ( 0.0_pr & + k(r386f) * c(sNC4H10) ) / NC4H9P_denom NC4H9P_IC3H7 = - ( 0.0_pr & + k(r387f) * c(sNC4H10) ) / NC4H9P_denom NC4H9P_C4H5 = - ( 0.0_pr & + k(r390f) * c(sNC4H10) ) / NC4H9P_denom NC4H9P_CH2C3H5 = - ( 0.0_pr & + k(r133f) * 0.5_pr * c(sNC4H8) & + k(r395f) * c(sNC4H10) ) / NC4H9P_denom NC4H9P_IC4H7 = - ( 0.0_pr & + k(r392f) * c(sNC4H10) ) / NC4H9P_denom NC4H9P_NC4H9S = - ( 0.0_pr & + k(r397f) * c(sNC4H10) & + k(r126b) ) / NC4H9P_denom NC4H9P_C3H5GL1G = - ( 0.0_pr & + k(r393f) * c(sNC4H10) & + k(r394f) * c(sNC4H10) ) / NC4H9P_denom C2H3_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r12f)* c(sH) & + k(r15f)* c(sCH3) & + k(r16f)* c(sC2H5) & + k(r20f)* c(sC2H2) & + k(r24f)* c(sH) & + k(r28f)* c(sCH3) & + k(r31f)* c(sC2H5) & + k(r39f)* c(sSC4H7) & + k(r70f)* c(sCH3) & + k(r137f)* c(sH2) & + k(r150f)* c(sCH4) & + k(r181f)* c(sC2H6) & + k(r196f)* c(sC3H6) & + k(r214f)* c(sC3H6) & + k(r229f)* c(sC3H8) & + k(r245f)* c(sC3H8) & + k(r263f)* c(sC4H6) & + k(r279f)* c(sNC4H8) & + k(r296f)* c(sNC4H8) & + k(r313f)* c(sIC4H8) & + k(r344f)* c(sCH3CHO) & + k(r358f)* c(sPC3H4) & + k(r372f)* c(sAC3H4) & + k(r388f)* c(sNC4H10) & + k(r404f)* c(sNC4H10) & + k(r21b)* c(sC2H2) & + k(r35b)* c(sC2H5) & + k(r36b)* c(sCH2CHCH2) & + k(r37b)* c(sC2H5) & + k(r49b)& + k(r65b)* c(sC2H4) & + k(r107b)* c(sH2O) ) C2H3_num = ( 0.0_pr & + k(r35f)* c(sC2H2) * c(sC2H6) & + k(r36f)* c(sC2H2) * c(sC3H6) & + k(r37f) *c(sC2H4)** 2.0_pr& + k(r49f)* c(sC2H2) * c(sH) & + k(r160f)* c(sC2H4) * c(sH) & + k(r161f)* c(sC2H4) * c(sCH3) & + k(r162f)* c(sC2H4) * c(sC2H5) & + k(r163f)* c(sC2H4) * c(sCH2CHCH2) & + k(r166f)* c(sC2H4) * c(sC3H3) & + k(r168f)* c(sC2H4) * c(sSC4H7) & + k(r12b)* c(sC2H4) & + k(r15b)* c(sC3H6) & + k(r16b)* c(sNC4H8) & + k(r20b)* c(sC4H4) * c(sH) & + k(r24b)* c(sC2H2) * c(sH2) & + k(r28b)* c(sC2H2) * c(sCH4) & + k(r70b)* c(sCH2CHCH2) * c(sH) ) C2H3_ct = C2H3_num / C2H3_denom C2H3_OH = - ( 0.0_pr & + k(r104f) * 0.2_pr * c(sC4H6) & + k(r107f) * c(sC2H4) ) / C2H3_denom C2H3_CH2CHO = - ( 0.0_pr & + k(r173f) * c(sC2H4) ) / C2H3_denom C2H3_NC3H7 = - ( 0.0_pr & + k(r164f) * c(sC2H4) ) / C2H3_denom C2H3_IC3H7 = - ( 0.0_pr & + k(r165f) * c(sC2H4) ) / C2H3_denom C2H3_C4H5 = - ( 0.0_pr & + k(r21f) & + k(r167f) * c(sC2H4) ) / C2H3_denom C2H3_CH2C3H5 = - ( 0.0_pr & + k(r65f) & + k(r172f) * c(sC2H4) ) / C2H3_denom C2H3_IC4H7 = - ( 0.0_pr & + k(r169f) * c(sC2H4) ) / C2H3_denom C2H3_NC4H9S = - ( 0.0_pr & + k(r175f) * c(sC2H4) ) / C2H3_denom C2H3_NC4H9P = - ( 0.0_pr & + k(r174f) * c(sC2H4) ) / C2H3_denom C2H3_C3H5GL1G = - ( 0.0_pr & + k(r170f) * c(sC2H4) & + k(r171f) * c(sC2H4) ) / C2H3_denom IC3H7_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r10f)* c(sH) & + k(r26f)* c(sCH3) & + k(r30f)* c(sC2H5) & + k(r58f)& + k(r59f)& + k(r80f)* c(sC2H4) & + k(r81f)* c(sC3H6) & + k(r149f)* c(sCH4) & + k(r165f)* c(sC2H4) & + k(r180f)* c(sC2H6) & + k(r195f)* c(sC3H6) & + k(r213f)* c(sC3H6) & + k(r228f)* c(sC3H8) & + k(r262f)* c(sC4H6) & + k(r278f)* c(sNC4H8) & + k(r295f)* c(sNC4H8) & + k(r312f)* c(sIC4H8) & + k(r327f)* c(sH2O) & + k(r343f)* c(sCH3CHO) & + k(r357f)* c(sPC3H4) & + k(r371f)* c(sAC3H4) & + k(r387f)* c(sNC4H10) & + k(r403f)* c(sNC4H10) & + k(r118b)* c(sH2) ) IC3H7_num = ( 0.0_pr & + k(r118f)* c(sC3H8) * c(sH) & + k(r241f)* c(sC3H8) * c(sCH3) & + k(r242f)* c(sC2H5) * c(sC3H8) & + k(r243f)* c(sC3H8) * c(sCH2CHCH2) & + k(r246f)* c(sC3H3) * c(sC3H8) & + k(r248f)* c(sC3H8) * c(sSC4H7) & + k(r10b)* c(sC3H8) & + k(r58b)* c(sC3H6) * c(sH) ) IC3H7_ct = IC3H7_num / IC3H7_denom IC3H7_OH = - ( 0.0_pr & + k(r240f) * c(sC3H8) ) / IC3H7_denom IC3H7_C2H3 = - ( 0.0_pr & + k(r245f) * c(sC3H8) ) / IC3H7_denom IC3H7_CH2CHO = - ( 0.0_pr & + k(r253f) * c(sC3H8) ) / IC3H7_denom IC3H7_NC3H7 = - ( 0.0_pr & + k(r244f) * c(sC3H8) & + k(r59b) ) / IC3H7_denom IC3H7_C4H5 = - ( 0.0_pr & + k(r247f) * c(sC3H8) ) / IC3H7_denom IC3H7_CH2C3H5 = - ( 0.0_pr & + k(r252f) * c(sC3H8) ) / IC3H7_denom IC3H7_IC4H7 = - ( 0.0_pr & + k(r249f) * c(sC3H8) ) / IC3H7_denom IC3H7_NC4H9S = - ( 0.0_pr & + k(r255f) * c(sC3H8) ) / IC3H7_denom IC3H7_NC4H9P = - ( 0.0_pr & + k(r254f) * c(sC3H8) ) / IC3H7_denom IC3H7_C3H5GL1G = - ( 0.0_pr & + k(r250f) * c(sC3H8) & + k(r251f) * c(sC3H8) ) / IC3H7_denom CH2CHO_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r102f)* c(sH) & + k(r144f)* c(sH2) & + k(r157f)* c(sCH4) & + k(r173f)* c(sC2H4) & + k(r189f)* c(sC2H6) & + k(r204f)* c(sC3H6) & + k(r221f)* c(sC3H6) & + k(r237f)* c(sC3H8) & + k(r253f)* c(sC3H8) & + k(r269f)* c(sC4H6) & + k(r286f)* c(sNC4H8) & + k(r303f)* c(sNC4H8) & + k(r320f)* c(sIC4H8) & + k(r334f)* c(sH2O) & + k(r365f)* c(sPC3H4) & + k(r379f)* c(sAC3H4) & + k(r396f)* c(sNC4H10) & + k(r412f)* c(sNC4H10) ) CH2CHO_num = ( 0.0_pr & + k(r337f)* c(sCH3CHO) * c(sH) & + k(r339f)* c(sCH3) * c(sCH3CHO) & + k(r340f)* c(sC2H5) * c(sCH3CHO) & + k(r341f)* c(sCH2CHCH2) * c(sCH3CHO) & + k(r345f)* c(sC3H3) * c(sCH3CHO) & + k(r347f)* c(sCH3CHO) * c(sSC4H7) ) CH2CHO_ct = CH2CHO_num / CH2CHO_denom CH2CHO_OH = - ( 0.0_pr & + k(r103f) * c(sC2H2) & + k(r104f) * 0.25_pr * c(sC4H6) & + k(r338f) * c(sCH3CHO) ) / CH2CHO_denom CH2CHO_C2H3 = - ( 0.0_pr & + k(r344f) * c(sCH3CHO) ) / CH2CHO_denom CH2CHO_NC3H7 = - ( 0.0_pr & + k(r342f) * c(sCH3CHO) ) / CH2CHO_denom CH2CHO_IC3H7 = - ( 0.0_pr & + k(r343f) * c(sCH3CHO) ) / CH2CHO_denom CH2CHO_C4H5 = - ( 0.0_pr & + k(r346f) * c(sCH3CHO) ) / CH2CHO_denom CH2CHO_CH2C3H5 = - ( 0.0_pr & + k(r351f) * c(sCH3CHO) ) / CH2CHO_denom CH2CHO_IC4H7 = - ( 0.0_pr & + k(r348f) * c(sCH3CHO) ) / CH2CHO_denom CH2CHO_NC4H9S = - ( 0.0_pr & + k(r353f) * c(sCH3CHO) ) / CH2CHO_denom CH2CHO_NC4H9P = - ( 0.0_pr & + k(r352f) * c(sCH3CHO) ) / CH2CHO_denom CH2CHO_C3H5GL1G = - ( 0.0_pr & + k(r349f) * c(sCH3CHO) & + k(r350f) * c(sCH3CHO) ) / CH2CHO_denom NC4H9S_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r122f)* c(sH) & + k(r127f)& + k(r128f)& + k(r159f)* c(sCH4) & + k(r175f)* c(sC2H4) & + k(r191f)* c(sC2H6) & + k(r206f)* c(sC3H6) & + k(r223f)* c(sC3H6) & + k(r239f)* c(sC3H8) & + k(r255f)* c(sC3H8) & + k(r271f)* c(sC4H6) & + k(r288f)* c(sNC4H8) & + k(r305f)* c(sNC4H8) & + k(r322f)* c(sIC4H8) & + k(r336f)* c(sH2O) & + k(r353f)* c(sCH3CHO) & + k(r367f)* c(sPC3H4) & + k(r381f)* c(sAC3H4) & + k(r397f)* c(sNC4H10) & + k(r126b)& + k(r136b)* c(sH2) ) NC4H9S_num = ( 0.0_pr & +0.32_pr * k(r131f)* c(sC2H5) * c(sNC4H8) & + k(r136f)* c(sH) * c(sNC4H10) & + k(r399f)* c(sCH3) * c(sNC4H10) & + k(r400f)* c(sC2H5) * c(sNC4H10) & + k(r401f)* c(sCH2CHCH2) * c(sNC4H10) & + k(r405f)* c(sC3H3) * c(sNC4H10) & + k(r407f)* c(sNC4H10) * c(sSC4H7) & + k(r122b)* c(sNC4H10) & + k(r127b)* c(sC3H6) * c(sCH3) & + k(r128b)* c(sH) * c(sNC4H8) ) NC4H9S_ct = NC4H9S_num / NC4H9S_denom NC4H9S_OH = - ( 0.0_pr & + k(r398f) * c(sNC4H10) ) / NC4H9S_denom NC4H9S_C2H3 = - ( 0.0_pr & + k(r404f) * c(sNC4H10) ) / NC4H9S_denom NC4H9S_CH2CHO = - ( 0.0_pr & + k(r412f) * c(sNC4H10) ) / NC4H9S_denom NC4H9S_NC3H7 = - ( 0.0_pr & + k(r402f) * c(sNC4H10) ) / NC4H9S_denom NC4H9S_IC3H7 = - ( 0.0_pr & + k(r403f) * c(sNC4H10) ) / NC4H9S_denom NC4H9S_C4H5 = - ( 0.0_pr & + k(r406f) * c(sNC4H10) ) / NC4H9S_denom NC4H9S_CH2C3H5 = - ( 0.0_pr & + k(r133f) * 0.5_pr * c(sNC4H8) & + k(r411f) * c(sNC4H10) ) / NC4H9S_denom NC4H9S_IC4H7 = - ( 0.0_pr & + k(r408f) * c(sNC4H10) ) / NC4H9S_denom NC4H9S_NC4H9P = - ( 0.0_pr & + k(r126f) & + k(r413f) * c(sNC4H10) ) / NC4H9S_denom NC4H9S_C3H5GL1G = - ( 0.0_pr & + k(r409f) * c(sNC4H10) & + k(r410f) * c(sNC4H10) ) / NC4H9S_denom NC3H7_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r9f)* c(sH) & + k(r60f)& + k(r61f)& + k(r79f)* c(sC2H4) & + k(r148f)* c(sCH4) & + k(r164f)* c(sC2H4) & + k(r179f)* c(sC2H6) & + k(r194f)* c(sC3H6) & + k(r212f)* c(sC3H6) & + k(r244f)* c(sC3H8) & + k(r261f)* c(sC4H6) & + k(r277f)* c(sNC4H8) & + k(r294f)* c(sNC4H8) & + k(r311f)* c(sIC4H8) & + k(r326f)* c(sH2O) & + k(r342f)* c(sCH3CHO) & + k(r356f)* c(sPC3H4) & + k(r370f)* c(sAC3H4) & + k(r386f)* c(sNC4H10) & + k(r402f)* c(sNC4H10) & + k(r59b)& + k(r117b)* c(sH2) ) NC3H7_num = ( 0.0_pr & +0.5_pr * k(r77f)* c(sC2H5) * c(sC3H6) & + k(r117f)* c(sC3H8) * c(sH) & +0.45_pr * k(r131f)* c(sC2H5) * c(sNC4H8) & + k(r225f)* c(sC3H8) * c(sCH3) & + k(r226f)* c(sC2H5) * c(sC3H8) & + k(r227f)* c(sC3H8) * c(sCH2CHCH2) & + k(r230f)* c(sC3H3) * c(sC3H8) & + k(r232f)* c(sC3H8) * c(sSC4H7) & + k(r9b)* c(sC3H8) & + k(r60b)* c(sC2H4) * c(sCH3) & + k(r61b)* c(sC3H6) * c(sH) ) NC3H7_ct = NC3H7_num / NC3H7_denom NC3H7_OH = - ( 0.0_pr & + k(r99f) * 0.5_pr * c(sNC4H8) & + k(r224f) * c(sC3H8) ) / NC3H7_denom NC3H7_C2H3 = - ( 0.0_pr & + k(r229f) * c(sC3H8) ) / NC3H7_denom NC3H7_CH2CHO = - ( 0.0_pr & + k(r237f) * c(sC3H8) ) / NC3H7_denom NC3H7_IC3H7 = - ( 0.0_pr & + k(r59f) & + k(r81f) * c(sC3H6) & + k(r228f) * c(sC3H8) ) / NC3H7_denom NC3H7_C4H5 = - ( 0.0_pr & + k(r231f) * c(sC3H8) ) / NC3H7_denom NC3H7_CH2C3H5 = - ( 0.0_pr & + k(r88f) * c(sC3H6) & + k(r236f) * c(sC3H8) ) / NC3H7_denom NC3H7_IC4H7 = - ( 0.0_pr & + k(r120f) * 0.33_pr * c(sC2H4) & + k(r233f) * c(sC3H8) ) / NC3H7_denom NC3H7_NC4H9S = - ( 0.0_pr & + k(r239f) * c(sC3H8) ) / NC3H7_denom NC3H7_NC4H9P = - ( 0.0_pr & + k(r132f) * c(sC2H4) & + k(r238f) * c(sC3H8) ) / NC3H7_denom NC3H7_C3H5GL1G = - ( 0.0_pr & + k(r234f) * c(sC3H8) & + k(r235f) * c(sC3H8) ) / NC3H7_denom IC4H7_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r44f)* c(sCH2CHCH2) & + k(r46f)* c(sSC4H7) & + k(r68f)& + k(r73f)* c(sC3H3) & + k(r120f)* c(sC2H4) & + k(r140f)* c(sH2) & + k(r153f)* c(sCH4) & + k(r169f)* c(sC2H4) & + k(r185f)* c(sC2H6) & + k(r200f)* c(sC3H6) & + k(r218f)* c(sC3H6) & + k(r233f)* c(sC3H8) & + k(r249f)* c(sC3H8) & + k(r265f)* c(sC4H6) & + k(r282f)* c(sNC4H8) & + k(r300f)* c(sNC4H8) & + k(r330f)* c(sH2O) & + k(r348f)* c(sCH3CHO) & + k(r362f)* c(sPC3H4) & + k(r375f)* c(sAC3H4) & + k(r392f)* c(sNC4H10) & + k(r408f)* c(sNC4H10) & + k(r19b)* c(sH) ) IC4H7_num = ( 0.0_pr & + k(r19f)* c(sIC4H8) & + k(r306f)* c(sH) * c(sIC4H8) & + k(r308f)* c(sCH3) * c(sIC4H8) & + k(r309f)* c(sC2H5) * c(sIC4H8) & + k(r310f)* c(sCH2CHCH2) * c(sIC4H8) & + k(r314f)* c(sC3H3) * c(sIC4H8) & + k(r316f)* c(sIC4H8) * c(sSC4H7) & + k(r68b)* c(sAC3H4) * c(sCH3) ) IC4H7_ct = IC4H7_num / IC4H7_denom IC4H7_OH = - ( 0.0_pr & + k(r307f) * c(sIC4H8) ) / IC4H7_denom IC4H7_C2H3 = - ( 0.0_pr & + k(r313f) * c(sIC4H8) ) / IC4H7_denom IC4H7_CH2CHO = - ( 0.0_pr & + k(r320f) * c(sIC4H8) ) / IC4H7_denom IC4H7_NC3H7 = - ( 0.0_pr & + k(r311f) * c(sIC4H8) ) / IC4H7_denom IC4H7_IC3H7 = - ( 0.0_pr & + k(r312f) * c(sIC4H8) ) / IC4H7_denom IC4H7_C4H5 = - ( 0.0_pr & + k(r315f) * c(sIC4H8) ) / IC4H7_denom IC4H7_CH2C3H5 = - ( 0.0_pr & + k(r67f) & + k(r319f) * c(sIC4H8) ) / IC4H7_denom IC4H7_NC4H9S = - ( 0.0_pr & + k(r322f) * c(sIC4H8) ) / IC4H7_denom IC4H7_NC4H9P = - ( 0.0_pr & + k(r321f) * c(sIC4H8) ) / IC4H7_denom IC4H7_C3H5GL1G = - ( 0.0_pr & + k(r317f) * c(sIC4H8) & + k(r318f) * c(sIC4H8) ) / IC4H7_denom C4H5_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r21f)& + k(r33f)* c(sH) & + k(r34f)* c(sH) & + k(r62f)& + k(r138f)* c(sH2) & + k(r151f)* c(sCH4) & + k(r167f)* c(sC2H4) & + k(r183f)* c(sC2H6) & + k(r198f)* c(sC3H6) & + k(r216f)* c(sC3H6) & + k(r231f)* c(sC3H8) & + k(r247f)* c(sC3H8) & + k(r281f)* c(sNC4H8) & + k(r298f)* c(sNC4H8) & + k(r315f)* c(sIC4H8) & + k(r328f)* c(sH2O) & + k(r346f)* c(sCH3CHO) & + k(r360f)* c(sPC3H4) & + k(r373f)* c(sAC3H4) & + k(r390f)* c(sNC4H10) & + k(r406f)* c(sNC4H10) & + k(r47b)* c(sSC4H7) ) C4H5_num = ( 0.0_pr & + k(r47f) *c(sC4H6)** 2.0_pr& + k(r82f)* c(sC3H3) * c(sC4H6) & + k(r256f)* c(sC4H6) * c(sH) & + k(r258f)* c(sC4H6) * c(sCH3) & + k(r259f)* c(sC2H5) * c(sC4H6) & + k(r260f)* c(sC4H6) * c(sCH2CHCH2) & + k(r264f)* c(sC4H6) * c(sSC4H7) & + k(r33b)* c(sC2H2) * c(sC2H4) & + k(r34b)* c(sC4H4) * c(sH2) & + k(r62b)* c(sC4H4) * c(sH) ) C4H5_ct = C4H5_num / C4H5_denom C4H5_OH = - ( 0.0_pr & + k(r257f) * c(sC4H6) ) / C4H5_denom C4H5_C2H3 = - ( 0.0_pr & + k(r263f) * c(sC4H6) & + k(r21b) * c(sC2H2) ) / C4H5_denom C4H5_CH2CHO = - ( 0.0_pr & + k(r269f) * c(sC4H6) ) / C4H5_denom C4H5_NC3H7 = - ( 0.0_pr & + k(r261f) * c(sC4H6) ) / C4H5_denom C4H5_IC3H7 = - ( 0.0_pr & + k(r262f) * c(sC4H6) ) / C4H5_denom C4H5_CH2C3H5 = - ( 0.0_pr & + k(r268f) * c(sC4H6) ) / C4H5_denom C4H5_IC4H7 = - ( 0.0_pr & + k(r265f) * c(sC4H6) ) / C4H5_denom C4H5_NC4H9S = - ( 0.0_pr & + k(r271f) * c(sC4H6) ) / C4H5_denom C4H5_NC4H9P = - ( 0.0_pr & + k(r270f) * c(sC4H6) ) / C4H5_denom C4H5_C3H5GL1G = - ( 0.0_pr & + k(r266f) * c(sC4H6) & + k(r267f) * c(sC4H6) ) / C4H5_denom a_l_a = (1.0_pr) - (C4H5_IC4H7) * (IC4H7_C4H5) a_m_a = (IC4H7_NC3H7) - (C4H5_NC3H7) * (IC4H7_C4H5) a_n_a = (IC4H7_NC4H9S) - (C4H5_NC4H9S) * (IC4H7_C4H5) a_o_a = (IC4H7_CH2CHO) - (C4H5_CH2CHO) * (IC4H7_C4H5) a_p_a = (IC4H7_IC3H7) - (C4H5_IC3H7) * (IC4H7_C4H5) a_q_a = (IC4H7_C2H3) - (C4H5_C2H3) * (IC4H7_C4H5) a_r_a = (IC4H7_NC4H9P) - (C4H5_NC4H9P) * (IC4H7_C4H5) a_s_a = (IC4H7_OH) - (C4H5_OH) * (IC4H7_C4H5) a_t_a = (IC4H7_C3H5GL1G) - (C4H5_C3H5GL1G) * (IC4H7_C4H5) a_u_a = (IC4H7_CH2C3H5) - (C4H5_CH2C3H5) * (IC4H7_C4H5) a_w_a = (NC3H7_IC4H7) - (C4H5_IC4H7) * (NC3H7_C4H5) a_x_a = (1.0_pr) - (C4H5_NC3H7) * (NC3H7_C4H5) a_y_a = (NC3H7_NC4H9S) - (C4H5_NC4H9S) * (NC3H7_C4H5) a_z_a = (NC3H7_CH2CHO) - (C4H5_CH2CHO) * (NC3H7_C4H5) a_aa_a = (NC3H7_IC3H7) - (C4H5_IC3H7) * (NC3H7_C4H5) a_ab_a = (NC3H7_C2H3) - (C4H5_C2H3) * (NC3H7_C4H5) a_ac_a = (NC3H7_NC4H9P) - (C4H5_NC4H9P) * (NC3H7_C4H5) a_ad_a = (NC3H7_OH) - (C4H5_OH) * (NC3H7_C4H5) a_ae_a = (NC3H7_C3H5GL1G) - (C4H5_C3H5GL1G) * (NC3H7_C4H5) a_af_a = (NC3H7_CH2C3H5) - (C4H5_CH2C3H5) * (NC3H7_C4H5) a_ah_a = (NC4H9S_IC4H7) - (C4H5_IC4H7) * (NC4H9S_C4H5) a_ai_a = (NC4H9S_NC3H7) - (C4H5_NC3H7) * (NC4H9S_C4H5) a_aj_a = (1.0_pr) - (C4H5_NC4H9S) * (NC4H9S_C4H5) a_ak_a = (NC4H9S_CH2CHO) - (C4H5_CH2CHO) * (NC4H9S_C4H5) a_al_a = (NC4H9S_IC3H7) - (C4H5_IC3H7) * (NC4H9S_C4H5) a_am_a = (NC4H9S_C2H3) - (C4H5_C2H3) * (NC4H9S_C4H5) a_an_a = (NC4H9S_NC4H9P) - (C4H5_NC4H9P) * (NC4H9S_C4H5) a_ao_a = (NC4H9S_OH) - (C4H5_OH) * (NC4H9S_C4H5) a_ap_a = (NC4H9S_C3H5GL1G) - (C4H5_C3H5GL1G) * (NC4H9S_C4H5) a_aq_a = (NC4H9S_CH2C3H5) - (C4H5_CH2C3H5) * (NC4H9S_C4H5) a_as_a = (CH2CHO_IC4H7) - (C4H5_IC4H7) * (CH2CHO_C4H5) a_at_a = (CH2CHO_NC3H7) - (C4H5_NC3H7) * (CH2CHO_C4H5) a_au_a = (CH2CHO_NC4H9S) - (C4H5_NC4H9S) * (CH2CHO_C4H5) a_av_a = (1.0_pr) - (C4H5_CH2CHO) * (CH2CHO_C4H5) a_aw_a = (CH2CHO_IC3H7) - (C4H5_IC3H7) * (CH2CHO_C4H5) a_ax_a = (CH2CHO_C2H3) - (C4H5_C2H3) * (CH2CHO_C4H5) a_ay_a = (CH2CHO_NC4H9P) - (C4H5_NC4H9P) * (CH2CHO_C4H5) a_bz_a = (CH2CHO_OH) - (C4H5_OH) * (CH2CHO_C4H5) a_ba_a = (CH2CHO_C3H5GL1G) - (C4H5_C3H5GL1G) * (CH2CHO_C4H5) a_bb_a = (CH2CHO_CH2C3H5) - (C4H5_CH2C3H5) * (CH2CHO_C4H5) a_bd_a = (IC3H7_IC4H7) - (C4H5_IC4H7) * (IC3H7_C4H5) a_be_a = (IC3H7_NC3H7) - (C4H5_NC3H7) * (IC3H7_C4H5) a_bf_a = (IC3H7_NC4H9S) - (C4H5_NC4H9S) * (IC3H7_C4H5) a_bg_a = (IC3H7_CH2CHO) - (C4H5_CH2CHO) * (IC3H7_C4H5) a_bh_a = (1.0_pr) - (C4H5_IC3H7) * (IC3H7_C4H5) a_bi_a = (IC3H7_C2H3) - (C4H5_C2H3) * (IC3H7_C4H5) a_bj_a = (IC3H7_NC4H9P) - (C4H5_NC4H9P) * (IC3H7_C4H5) a_bk_a = (IC3H7_OH) - (C4H5_OH) * (IC3H7_C4H5) a_bl_a = (IC3H7_C3H5GL1G) - (C4H5_C3H5GL1G) * (IC3H7_C4H5) a_bm_a = (IC3H7_CH2C3H5) - (C4H5_CH2C3H5) * (IC3H7_C4H5) a_bo_a = (C2H3_IC4H7) - (C4H5_IC4H7) * (C2H3_C4H5) a_bp_a = (C2H3_NC3H7) - (C4H5_NC3H7) * (C2H3_C4H5) a_bq_a = (C2H3_NC4H9S) - (C4H5_NC4H9S) * (C2H3_C4H5) a_br_a = (C2H3_CH2CHO) - (C4H5_CH2CHO) * (C2H3_C4H5) a_bs_a = (C2H3_IC3H7) - (C4H5_IC3H7) * (C2H3_C4H5) a_bt_a = (1.0_pr) - (C4H5_C2H3) * (C2H3_C4H5) a_bu_a = (C2H3_NC4H9P) - (C4H5_NC4H9P) * (C2H3_C4H5) a_bv_a = (C2H3_OH) - (C4H5_OH) * (C2H3_C4H5) a_bw_a = (C2H3_C3H5GL1G) - (C4H5_C3H5GL1G) * (C2H3_C4H5) a_bx_a = (C2H3_CH2C3H5) - (C4H5_CH2C3H5) * (C2H3_C4H5) a_cz_a = (NC4H9P_IC4H7) - (C4H5_IC4H7) * (NC4H9P_C4H5) a_ca_a = (NC4H9P_NC3H7) - (C4H5_NC3H7) * (NC4H9P_C4H5) a_cb_a = (NC4H9P_NC4H9S) - (C4H5_NC4H9S) * (NC4H9P_C4H5) a_cc_a = (NC4H9P_CH2CHO) - (C4H5_CH2CHO) * (NC4H9P_C4H5) a_cd_a = (NC4H9P_IC3H7) - (C4H5_IC3H7) * (NC4H9P_C4H5) a_ce_a = (NC4H9P_C2H3) - (C4H5_C2H3) * (NC4H9P_C4H5) a_cf_a = (1.0_pr) - (C4H5_NC4H9P) * (NC4H9P_C4H5) a_cg_a = (NC4H9P_OH) - (C4H5_OH) * (NC4H9P_C4H5) a_ch_a = (NC4H9P_C3H5GL1G) - (C4H5_C3H5GL1G) * (NC4H9P_C4H5) a_ci_a = (NC4H9P_CH2C3H5) - (C4H5_CH2C3H5) * (NC4H9P_C4H5) a_ck_a = (OH_IC4H7) - (C4H5_IC4H7) * (OH_C4H5) a_cl_a = (OH_NC3H7) - (C4H5_NC3H7) * (OH_C4H5) a_cm_a = (OH_NC4H9S) - (C4H5_NC4H9S) * (OH_C4H5) a_cn_a = (OH_CH2CHO) - (C4H5_CH2CHO) * (OH_C4H5) a_co_a = (OH_IC3H7) - (C4H5_IC3H7) * (OH_C4H5) a_cp_a = (OH_C2H3) - (C4H5_C2H3) * (OH_C4H5) a_cq_a = (OH_NC4H9P) - (C4H5_NC4H9P) * (OH_C4H5) a_cr_a = (1.0_pr) - (C4H5_OH) * (OH_C4H5) a_cs_a = (OH_C3H5GL1G) - (C4H5_C3H5GL1G) * (OH_C4H5) a_ct_a = (OH_CH2C3H5) - (C4H5_CH2C3H5) * (OH_C4H5) a_cv_a = (C3H5GL1G_IC4H7) - (C4H5_IC4H7) * (C3H5GL1G_C4H5) a_cw_a = (C3H5GL1G_NC3H7) - (C4H5_NC3H7) * (C3H5GL1G_C4H5) a_cx_a = (C3H5GL1G_NC4H9S) - (C4H5_NC4H9S) * (C3H5GL1G_C4H5) a_cy_a = (C3H5GL1G_CH2CHO) - (C4H5_CH2CHO) * (C3H5GL1G_C4H5) a_dz_a = (C3H5GL1G_IC3H7) - (C4H5_IC3H7) * (C3H5GL1G_C4H5) a_da_a = (C3H5GL1G_C2H3) - (C4H5_C2H3) * (C3H5GL1G_C4H5) a_db_a = (C3H5GL1G_NC4H9P) - (C4H5_NC4H9P) * (C3H5GL1G_C4H5) a_dc_a = (C3H5GL1G_OH) - (C4H5_OH) * (C3H5GL1G_C4H5) a_dd_a = (1.0_pr) - (C4H5_C3H5GL1G) * (C3H5GL1G_C4H5) a_de_a = (C3H5GL1G_CH2C3H5) - (C4H5_CH2C3H5) * (C3H5GL1G_C4H5) a_dg_a = (CH2C3H5_IC4H7) - (C4H5_IC4H7) * (CH2C3H5_C4H5) a_dh_a = (CH2C3H5_NC3H7) - (C4H5_NC3H7) * (CH2C3H5_C4H5) a_di_a = (CH2C3H5_NC4H9S) - (C4H5_NC4H9S) * (CH2C3H5_C4H5) a_dj_a = (CH2C3H5_CH2CHO) - (C4H5_CH2CHO) * (CH2C3H5_C4H5) a_dk_a = (CH2C3H5_IC3H7) - (C4H5_IC3H7) * (CH2C3H5_C4H5) a_dl_a = (CH2C3H5_C2H3) - (C4H5_C2H3) * (CH2C3H5_C4H5) a_dm_a = (CH2C3H5_NC4H9P) - (C4H5_NC4H9P) * (CH2C3H5_C4H5) a_dn_a = (CH2C3H5_OH) - (C4H5_OH) * (CH2C3H5_C4H5) a_do_a = (CH2C3H5_C3H5GL1G) - (C4H5_C3H5GL1G) * (CH2C3H5_C4H5) a_dp_a = (1.0_pr) - (C4H5_CH2C3H5) * (CH2C3H5_C4H5) a_x_b = (a_x_a) - (a_m_a) * (a_w_a) / (a_l_a) a_y_b = (a_y_a) - (a_n_a) * (a_w_a) / (a_l_a) a_z_b = (a_z_a) - (a_o_a) * (a_w_a) / (a_l_a) a_aa_b = (a_aa_a) - (a_p_a) * (a_w_a) / (a_l_a) a_ab_b = (a_ab_a) - (a_q_a) * (a_w_a) / (a_l_a) a_ac_b = (a_ac_a) - (a_r_a) * (a_w_a) / (a_l_a) a_ad_b = (a_ad_a) - (a_s_a) * (a_w_a) / (a_l_a) a_ae_b = (a_ae_a) - (a_t_a) * (a_w_a) / (a_l_a) a_af_b = (a_af_a) - (a_u_a) * (a_w_a) / (a_l_a) a_ai_b = (a_ai_a) - (a_m_a) * (a_ah_a) / (a_l_a) a_aj_b = (a_aj_a) - (a_n_a) * (a_ah_a) / (a_l_a) a_ak_b = (a_ak_a) - (a_o_a) * (a_ah_a) / (a_l_a) a_al_b = (a_al_a) - (a_p_a) * (a_ah_a) / (a_l_a) a_am_b = (a_am_a) - (a_q_a) * (a_ah_a) / (a_l_a) a_an_b = (a_an_a) - (a_r_a) * (a_ah_a) / (a_l_a) a_ao_b = (a_ao_a) - (a_s_a) * (a_ah_a) / (a_l_a) a_ap_b = (a_ap_a) - (a_t_a) * (a_ah_a) / (a_l_a) a_aq_b = (a_aq_a) - (a_u_a) * (a_ah_a) / (a_l_a) a_at_b = (a_at_a) - (a_m_a) * (a_as_a) / (a_l_a) a_au_b = (a_au_a) - (a_n_a) * (a_as_a) / (a_l_a) a_av_b = (a_av_a) - (a_o_a) * (a_as_a) / (a_l_a) a_aw_b = (a_aw_a) - (a_p_a) * (a_as_a) / (a_l_a) a_ax_b = (a_ax_a) - (a_q_a) * (a_as_a) / (a_l_a) a_ay_b = (a_ay_a) - (a_r_a) * (a_as_a) / (a_l_a) a_bz_b = (a_bz_a) - (a_s_a) * (a_as_a) / (a_l_a) a_ba_b = (a_ba_a) - (a_t_a) * (a_as_a) / (a_l_a) a_bb_b = (a_bb_a) - (a_u_a) * (a_as_a) / (a_l_a) a_be_b = (a_be_a) - (a_m_a) * (a_bd_a) / (a_l_a) a_bf_b = (a_bf_a) - (a_n_a) * (a_bd_a) / (a_l_a) a_bg_b = (a_bg_a) - (a_o_a) * (a_bd_a) / (a_l_a) a_bh_b = (a_bh_a) - (a_p_a) * (a_bd_a) / (a_l_a) a_bi_b = (a_bi_a) - (a_q_a) * (a_bd_a) / (a_l_a) a_bj_b = (a_bj_a) - (a_r_a) * (a_bd_a) / (a_l_a) a_bk_b = (a_bk_a) - (a_s_a) * (a_bd_a) / (a_l_a) a_bl_b = (a_bl_a) - (a_t_a) * (a_bd_a) / (a_l_a) a_bm_b = (a_bm_a) - (a_u_a) * (a_bd_a) / (a_l_a) a_bp_b = (a_bp_a) - (a_m_a) * (a_bo_a) / (a_l_a) a_bq_b = (a_bq_a) - (a_n_a) * (a_bo_a) / (a_l_a) a_br_b = (a_br_a) - (a_o_a) * (a_bo_a) / (a_l_a) a_bs_b = (a_bs_a) - (a_p_a) * (a_bo_a) / (a_l_a) a_bt_b = (a_bt_a) - (a_q_a) * (a_bo_a) / (a_l_a) a_bu_b = (a_bu_a) - (a_r_a) * (a_bo_a) / (a_l_a) a_bv_b = (a_bv_a) - (a_s_a) * (a_bo_a) / (a_l_a) a_bw_b = (a_bw_a) - (a_t_a) * (a_bo_a) / (a_l_a) a_bx_b = (a_bx_a) - (a_u_a) * (a_bo_a) / (a_l_a) a_ca_b = (a_ca_a) - (a_m_a) * (a_cz_a) / (a_l_a) a_cb_b = (a_cb_a) - (a_n_a) * (a_cz_a) / (a_l_a) a_cc_b = (a_cc_a) - (a_o_a) * (a_cz_a) / (a_l_a) a_cd_b = (a_cd_a) - (a_p_a) * (a_cz_a) / (a_l_a) a_ce_b = (a_ce_a) - (a_q_a) * (a_cz_a) / (a_l_a) a_cf_b = (a_cf_a) - (a_r_a) * (a_cz_a) / (a_l_a) a_cg_b = (a_cg_a) - (a_s_a) * (a_cz_a) / (a_l_a) a_ch_b = (a_ch_a) - (a_t_a) * (a_cz_a) / (a_l_a) a_ci_b = (a_ci_a) - (a_u_a) * (a_cz_a) / (a_l_a) a_cl_b = (a_cl_a) - (a_m_a) * (a_ck_a) / (a_l_a) a_cm_b = (a_cm_a) - (a_n_a) * (a_ck_a) / (a_l_a) a_cn_b = (a_cn_a) - (a_o_a) * (a_ck_a) / (a_l_a) a_co_b = (a_co_a) - (a_p_a) * (a_ck_a) / (a_l_a) a_cp_b = (a_cp_a) - (a_q_a) * (a_ck_a) / (a_l_a) a_cq_b = (a_cq_a) - (a_r_a) * (a_ck_a) / (a_l_a) a_cr_b = (a_cr_a) - (a_s_a) * (a_ck_a) / (a_l_a) a_cs_b = (a_cs_a) - (a_t_a) * (a_ck_a) / (a_l_a) a_ct_b = (a_ct_a) - (a_u_a) * (a_ck_a) / (a_l_a) a_cw_b = (a_cw_a) - (a_m_a) * (a_cv_a) / (a_l_a) a_cx_b = (a_cx_a) - (a_n_a) * (a_cv_a) / (a_l_a) a_cy_b = (a_cy_a) - (a_o_a) * (a_cv_a) / (a_l_a) a_dz_b = (a_dz_a) - (a_p_a) * (a_cv_a) / (a_l_a) a_da_b = (a_da_a) - (a_q_a) * (a_cv_a) / (a_l_a) a_db_b = (a_db_a) - (a_r_a) * (a_cv_a) / (a_l_a) a_dc_b = (a_dc_a) - (a_s_a) * (a_cv_a) / (a_l_a) a_dd_b = (a_dd_a) - (a_t_a) * (a_cv_a) / (a_l_a) a_de_b = (a_de_a) - (a_u_a) * (a_cv_a) / (a_l_a) a_dh_b = (a_dh_a) - (a_m_a) * (a_dg_a) / (a_l_a) a_di_b = (a_di_a) - (a_n_a) * (a_dg_a) / (a_l_a) a_dj_b = (a_dj_a) - (a_o_a) * (a_dg_a) / (a_l_a) a_dk_b = (a_dk_a) - (a_p_a) * (a_dg_a) / (a_l_a) a_dl_b = (a_dl_a) - (a_q_a) * (a_dg_a) / (a_l_a) a_dm_b = (a_dm_a) - (a_r_a) * (a_dg_a) / (a_l_a) a_dn_b = (a_dn_a) - (a_s_a) * (a_dg_a) / (a_l_a) a_do_b = (a_do_a) - (a_t_a) * (a_dg_a) / (a_l_a) a_dp_b = (a_dp_a) - (a_u_a) * (a_dg_a) / (a_l_a) a_aj_c = (a_aj_b) - (a_y_b) * (a_ai_b) / (a_x_b) a_ak_c = (a_ak_b) - (a_z_b) * (a_ai_b) / (a_x_b) a_al_c = (a_al_b) - (a_aa_b) * (a_ai_b) / (a_x_b) a_am_c = (a_am_b) - (a_ab_b) * (a_ai_b) / (a_x_b) a_an_c = (a_an_b) - (a_ac_b) * (a_ai_b) / (a_x_b) a_ao_c = (a_ao_b) - (a_ad_b) * (a_ai_b) / (a_x_b) a_ap_c = (a_ap_b) - (a_ae_b) * (a_ai_b) / (a_x_b) a_aq_c = (a_aq_b) - (a_af_b) * (a_ai_b) / (a_x_b) a_au_c = (a_au_b) - (a_y_b) * (a_at_b) / (a_x_b) a_av_c = (a_av_b) - (a_z_b) * (a_at_b) / (a_x_b) a_aw_c = (a_aw_b) - (a_aa_b) * (a_at_b) / (a_x_b) a_ax_c = (a_ax_b) - (a_ab_b) * (a_at_b) / (a_x_b) a_ay_c = (a_ay_b) - (a_ac_b) * (a_at_b) / (a_x_b) a_bz_c = (a_bz_b) - (a_ad_b) * (a_at_b) / (a_x_b) a_ba_c = (a_ba_b) - (a_ae_b) * (a_at_b) / (a_x_b) a_bb_c = (a_bb_b) - (a_af_b) * (a_at_b) / (a_x_b) a_bf_c = (a_bf_b) - (a_y_b) * (a_be_b) / (a_x_b) a_bg_c = (a_bg_b) - (a_z_b) * (a_be_b) / (a_x_b) a_bh_c = (a_bh_b) - (a_aa_b) * (a_be_b) / (a_x_b) a_bi_c = (a_bi_b) - (a_ab_b) * (a_be_b) / (a_x_b) a_bj_c = (a_bj_b) - (a_ac_b) * (a_be_b) / (a_x_b) a_bk_c = (a_bk_b) - (a_ad_b) * (a_be_b) / (a_x_b) a_bl_c = (a_bl_b) - (a_ae_b) * (a_be_b) / (a_x_b) a_bm_c = (a_bm_b) - (a_af_b) * (a_be_b) / (a_x_b) a_bq_c = (a_bq_b) - (a_y_b) * (a_bp_b) / (a_x_b) a_br_c = (a_br_b) - (a_z_b) * (a_bp_b) / (a_x_b) a_bs_c = (a_bs_b) - (a_aa_b) * (a_bp_b) / (a_x_b) a_bt_c = (a_bt_b) - (a_ab_b) * (a_bp_b) / (a_x_b) a_bu_c = (a_bu_b) - (a_ac_b) * (a_bp_b) / (a_x_b) a_bv_c = (a_bv_b) - (a_ad_b) * (a_bp_b) / (a_x_b) a_bw_c = (a_bw_b) - (a_ae_b) * (a_bp_b) / (a_x_b) a_bx_c = (a_bx_b) - (a_af_b) * (a_bp_b) / (a_x_b) a_cb_c = (a_cb_b) - (a_y_b) * (a_ca_b) / (a_x_b) a_cc_c = (a_cc_b) - (a_z_b) * (a_ca_b) / (a_x_b) a_cd_c = (a_cd_b) - (a_aa_b) * (a_ca_b) / (a_x_b) a_ce_c = (a_ce_b) - (a_ab_b) * (a_ca_b) / (a_x_b) a_cf_c = (a_cf_b) - (a_ac_b) * (a_ca_b) / (a_x_b) a_cg_c = (a_cg_b) - (a_ad_b) * (a_ca_b) / (a_x_b) a_ch_c = (a_ch_b) - (a_ae_b) * (a_ca_b) / (a_x_b) a_ci_c = (a_ci_b) - (a_af_b) * (a_ca_b) / (a_x_b) a_cm_c = (a_cm_b) - (a_y_b) * (a_cl_b) / (a_x_b) a_cn_c = (a_cn_b) - (a_z_b) * (a_cl_b) / (a_x_b) a_co_c = (a_co_b) - (a_aa_b) * (a_cl_b) / (a_x_b) a_cp_c = (a_cp_b) - (a_ab_b) * (a_cl_b) / (a_x_b) a_cq_c = (a_cq_b) - (a_ac_b) * (a_cl_b) / (a_x_b) a_cr_c = (a_cr_b) - (a_ad_b) * (a_cl_b) / (a_x_b) a_cs_c = (a_cs_b) - (a_ae_b) * (a_cl_b) / (a_x_b) a_ct_c = (a_ct_b) - (a_af_b) * (a_cl_b) / (a_x_b) a_cx_c = (a_cx_b) - (a_y_b) * (a_cw_b) / (a_x_b) a_cy_c = (a_cy_b) - (a_z_b) * (a_cw_b) / (a_x_b) a_dz_c = (a_dz_b) - (a_aa_b) * (a_cw_b) / (a_x_b) a_da_c = (a_da_b) - (a_ab_b) * (a_cw_b) / (a_x_b) a_db_c = (a_db_b) - (a_ac_b) * (a_cw_b) / (a_x_b) a_dc_c = (a_dc_b) - (a_ad_b) * (a_cw_b) / (a_x_b) a_dd_c = (a_dd_b) - (a_ae_b) * (a_cw_b) / (a_x_b) a_de_c = (a_de_b) - (a_af_b) * (a_cw_b) / (a_x_b) a_di_c = (a_di_b) - (a_y_b) * (a_dh_b) / (a_x_b) a_dj_c = (a_dj_b) - (a_z_b) * (a_dh_b) / (a_x_b) a_dk_c = (a_dk_b) - (a_aa_b) * (a_dh_b) / (a_x_b) a_dl_c = (a_dl_b) - (a_ab_b) * (a_dh_b) / (a_x_b) a_dm_c = (a_dm_b) - (a_ac_b) * (a_dh_b) / (a_x_b) a_dn_c = (a_dn_b) - (a_ad_b) * (a_dh_b) / (a_x_b) a_do_c = (a_do_b) - (a_ae_b) * (a_dh_b) / (a_x_b) a_dp_c = (a_dp_b) - (a_af_b) * (a_dh_b) / (a_x_b) a_av_d = (a_av_c) - (a_ak_c) * (a_au_c) / (a_aj_c) a_aw_d = (a_aw_c) - (a_al_c) * (a_au_c) / (a_aj_c) a_ax_d = (a_ax_c) - (a_am_c) * (a_au_c) / (a_aj_c) a_ay_d = (a_ay_c) - (a_an_c) * (a_au_c) / (a_aj_c) a_bz_d = (a_bz_c) - (a_ao_c) * (a_au_c) / (a_aj_c) a_ba_d = (a_ba_c) - (a_ap_c) * (a_au_c) / (a_aj_c) a_bb_d = (a_bb_c) - (a_aq_c) * (a_au_c) / (a_aj_c) a_bg_d = (a_bg_c) - (a_ak_c) * (a_bf_c) / (a_aj_c) a_bh_d = (a_bh_c) - (a_al_c) * (a_bf_c) / (a_aj_c) a_bi_d = (a_bi_c) - (a_am_c) * (a_bf_c) / (a_aj_c) a_bj_d = (a_bj_c) - (a_an_c) * (a_bf_c) / (a_aj_c) a_bk_d = (a_bk_c) - (a_ao_c) * (a_bf_c) / (a_aj_c) a_bl_d = (a_bl_c) - (a_ap_c) * (a_bf_c) / (a_aj_c) a_bm_d = (a_bm_c) - (a_aq_c) * (a_bf_c) / (a_aj_c) a_br_d = (a_br_c) - (a_ak_c) * (a_bq_c) / (a_aj_c) a_bs_d = (a_bs_c) - (a_al_c) * (a_bq_c) / (a_aj_c) a_bt_d = (a_bt_c) - (a_am_c) * (a_bq_c) / (a_aj_c) a_bu_d = (a_bu_c) - (a_an_c) * (a_bq_c) / (a_aj_c) a_bv_d = (a_bv_c) - (a_ao_c) * (a_bq_c) / (a_aj_c) a_bw_d = (a_bw_c) - (a_ap_c) * (a_bq_c) / (a_aj_c) a_bx_d = (a_bx_c) - (a_aq_c) * (a_bq_c) / (a_aj_c) a_cc_d = (a_cc_c) - (a_ak_c) * (a_cb_c) / (a_aj_c) a_cd_d = (a_cd_c) - (a_al_c) * (a_cb_c) / (a_aj_c) a_ce_d = (a_ce_c) - (a_am_c) * (a_cb_c) / (a_aj_c) a_cf_d = (a_cf_c) - (a_an_c) * (a_cb_c) / (a_aj_c) a_cg_d = (a_cg_c) - (a_ao_c) * (a_cb_c) / (a_aj_c) a_ch_d = (a_ch_c) - (a_ap_c) * (a_cb_c) / (a_aj_c) a_ci_d = (a_ci_c) - (a_aq_c) * (a_cb_c) / (a_aj_c) a_cn_d = (a_cn_c) - (a_ak_c) * (a_cm_c) / (a_aj_c) a_co_d = (a_co_c) - (a_al_c) * (a_cm_c) / (a_aj_c) a_cp_d = (a_cp_c) - (a_am_c) * (a_cm_c) / (a_aj_c) a_cq_d = (a_cq_c) - (a_an_c) * (a_cm_c) / (a_aj_c) a_cr_d = (a_cr_c) - (a_ao_c) * (a_cm_c) / (a_aj_c) a_cs_d = (a_cs_c) - (a_ap_c) * (a_cm_c) / (a_aj_c) a_ct_d = (a_ct_c) - (a_aq_c) * (a_cm_c) / (a_aj_c) a_cy_d = (a_cy_c) - (a_ak_c) * (a_cx_c) / (a_aj_c) a_dz_d = (a_dz_c) - (a_al_c) * (a_cx_c) / (a_aj_c) a_da_d = (a_da_c) - (a_am_c) * (a_cx_c) / (a_aj_c) a_db_d = (a_db_c) - (a_an_c) * (a_cx_c) / (a_aj_c) a_dc_d = (a_dc_c) - (a_ao_c) * (a_cx_c) / (a_aj_c) a_dd_d = (a_dd_c) - (a_ap_c) * (a_cx_c) / (a_aj_c) a_de_d = (a_de_c) - (a_aq_c) * (a_cx_c) / (a_aj_c) a_dj_d = (a_dj_c) - (a_ak_c) * (a_di_c) / (a_aj_c) a_dk_d = (a_dk_c) - (a_al_c) * (a_di_c) / (a_aj_c) a_dl_d = (a_dl_c) - (a_am_c) * (a_di_c) / (a_aj_c) a_dm_d = (a_dm_c) - (a_an_c) * (a_di_c) / (a_aj_c) a_dn_d = (a_dn_c) - (a_ao_c) * (a_di_c) / (a_aj_c) a_do_d = (a_do_c) - (a_ap_c) * (a_di_c) / (a_aj_c) a_dp_d = (a_dp_c) - (a_aq_c) * (a_di_c) / (a_aj_c) a_bh_e = (a_bh_d) - (a_aw_d) * (a_bg_d) / (a_av_d) a_bi_e = (a_bi_d) - (a_ax_d) * (a_bg_d) / (a_av_d) a_bj_e = (a_bj_d) - (a_ay_d) * (a_bg_d) / (a_av_d) a_bk_e = (a_bk_d) - (a_bz_d) * (a_bg_d) / (a_av_d) a_bl_e = (a_bl_d) - (a_ba_d) * (a_bg_d) / (a_av_d) a_bm_e = (a_bm_d) - (a_bb_d) * (a_bg_d) / (a_av_d) a_bs_e = (a_bs_d) - (a_aw_d) * (a_br_d) / (a_av_d) a_bt_e = (a_bt_d) - (a_ax_d) * (a_br_d) / (a_av_d) a_bu_e = (a_bu_d) - (a_ay_d) * (a_br_d) / (a_av_d) a_bv_e = (a_bv_d) - (a_bz_d) * (a_br_d) / (a_av_d) a_bw_e = (a_bw_d) - (a_ba_d) * (a_br_d) / (a_av_d) a_bx_e = (a_bx_d) - (a_bb_d) * (a_br_d) / (a_av_d) a_cd_e = (a_cd_d) - (a_aw_d) * (a_cc_d) / (a_av_d) a_ce_e = (a_ce_d) - (a_ax_d) * (a_cc_d) / (a_av_d) a_cf_e = (a_cf_d) - (a_ay_d) * (a_cc_d) / (a_av_d) a_cg_e = (a_cg_d) - (a_bz_d) * (a_cc_d) / (a_av_d) a_ch_e = (a_ch_d) - (a_ba_d) * (a_cc_d) / (a_av_d) a_ci_e = (a_ci_d) - (a_bb_d) * (a_cc_d) / (a_av_d) a_co_e = (a_co_d) - (a_aw_d) * (a_cn_d) / (a_av_d) a_cp_e = (a_cp_d) - (a_ax_d) * (a_cn_d) / (a_av_d) a_cq_e = (a_cq_d) - (a_ay_d) * (a_cn_d) / (a_av_d) a_cr_e = (a_cr_d) - (a_bz_d) * (a_cn_d) / (a_av_d) a_cs_e = (a_cs_d) - (a_ba_d) * (a_cn_d) / (a_av_d) a_ct_e = (a_ct_d) - (a_bb_d) * (a_cn_d) / (a_av_d) a_dz_e = (a_dz_d) - (a_aw_d) * (a_cy_d) / (a_av_d) a_da_e = (a_da_d) - (a_ax_d) * (a_cy_d) / (a_av_d) a_db_e = (a_db_d) - (a_ay_d) * (a_cy_d) / (a_av_d) a_dc_e = (a_dc_d) - (a_bz_d) * (a_cy_d) / (a_av_d) a_dd_e = (a_dd_d) - (a_ba_d) * (a_cy_d) / (a_av_d) a_de_e = (a_de_d) - (a_bb_d) * (a_cy_d) / (a_av_d) a_dk_e = (a_dk_d) - (a_aw_d) * (a_dj_d) / (a_av_d) a_dl_e = (a_dl_d) - (a_ax_d) * (a_dj_d) / (a_av_d) a_dm_e = (a_dm_d) - (a_ay_d) * (a_dj_d) / (a_av_d) a_dn_e = (a_dn_d) - (a_bz_d) * (a_dj_d) / (a_av_d) a_do_e = (a_do_d) - (a_ba_d) * (a_dj_d) / (a_av_d) a_dp_e = (a_dp_d) - (a_bb_d) * (a_dj_d) / (a_av_d) a_bt_f = (a_bt_e) - (a_bi_e) * (a_bs_e) / (a_bh_e) a_bu_f = (a_bu_e) - (a_bj_e) * (a_bs_e) / (a_bh_e) a_bv_f = (a_bv_e) - (a_bk_e) * (a_bs_e) / (a_bh_e) a_bw_f = (a_bw_e) - (a_bl_e) * (a_bs_e) / (a_bh_e) a_bx_f = (a_bx_e) - (a_bm_e) * (a_bs_e) / (a_bh_e) a_ce_f = (a_ce_e) - (a_bi_e) * (a_cd_e) / (a_bh_e) a_cf_f = (a_cf_e) - (a_bj_e) * (a_cd_e) / (a_bh_e) a_cg_f = (a_cg_e) - (a_bk_e) * (a_cd_e) / (a_bh_e) a_ch_f = (a_ch_e) - (a_bl_e) * (a_cd_e) / (a_bh_e) a_ci_f = (a_ci_e) - (a_bm_e) * (a_cd_e) / (a_bh_e) a_cp_f = (a_cp_e) - (a_bi_e) * (a_co_e) / (a_bh_e) a_cq_f = (a_cq_e) - (a_bj_e) * (a_co_e) / (a_bh_e) a_cr_f = (a_cr_e) - (a_bk_e) * (a_co_e) / (a_bh_e) a_cs_f = (a_cs_e) - (a_bl_e) * (a_co_e) / (a_bh_e) a_ct_f = (a_ct_e) - (a_bm_e) * (a_co_e) / (a_bh_e) a_da_f = (a_da_e) - (a_bi_e) * (a_dz_e) / (a_bh_e) a_db_f = (a_db_e) - (a_bj_e) * (a_dz_e) / (a_bh_e) a_dc_f = (a_dc_e) - (a_bk_e) * (a_dz_e) / (a_bh_e) a_dd_f = (a_dd_e) - (a_bl_e) * (a_dz_e) / (a_bh_e) a_de_f = (a_de_e) - (a_bm_e) * (a_dz_e) / (a_bh_e) a_dl_f = (a_dl_e) - (a_bi_e) * (a_dk_e) / (a_bh_e) a_dm_f = (a_dm_e) - (a_bj_e) * (a_dk_e) / (a_bh_e) a_dn_f = (a_dn_e) - (a_bk_e) * (a_dk_e) / (a_bh_e) a_do_f = (a_do_e) - (a_bl_e) * (a_dk_e) / (a_bh_e) a_dp_f = (a_dp_e) - (a_bm_e) * (a_dk_e) / (a_bh_e) a_cf_g = (a_cf_f) - (a_bu_f) * (a_ce_f) / (a_bt_f) a_cg_g = (a_cg_f) - (a_bv_f) * (a_ce_f) / (a_bt_f) a_ch_g = (a_ch_f) - (a_bw_f) * (a_ce_f) / (a_bt_f) a_ci_g = (a_ci_f) - (a_bx_f) * (a_ce_f) / (a_bt_f) a_cq_g = (a_cq_f) - (a_bu_f) * (a_cp_f) / (a_bt_f) a_cr_g = (a_cr_f) - (a_bv_f) * (a_cp_f) / (a_bt_f) a_cs_g = (a_cs_f) - (a_bw_f) * (a_cp_f) / (a_bt_f) a_ct_g = (a_ct_f) - (a_bx_f) * (a_cp_f) / (a_bt_f) a_db_g = (a_db_f) - (a_bu_f) * (a_da_f) / (a_bt_f) a_dc_g = (a_dc_f) - (a_bv_f) * (a_da_f) / (a_bt_f) a_dd_g = (a_dd_f) - (a_bw_f) * (a_da_f) / (a_bt_f) a_de_g = (a_de_f) - (a_bx_f) * (a_da_f) / (a_bt_f) a_dm_g = (a_dm_f) - (a_bu_f) * (a_dl_f) / (a_bt_f) a_dn_g = (a_dn_f) - (a_bv_f) * (a_dl_f) / (a_bt_f) a_do_g = (a_do_f) - (a_bw_f) * (a_dl_f) / (a_bt_f) a_dp_g = (a_dp_f) - (a_bx_f) * (a_dl_f) / (a_bt_f) a_cr_h = (a_cr_g) - (a_cg_g) * (a_cq_g) / (a_cf_g) a_cs_h = (a_cs_g) - (a_ch_g) * (a_cq_g) / (a_cf_g) a_ct_h = (a_ct_g) - (a_ci_g) * (a_cq_g) / (a_cf_g) a_dc_h = (a_dc_g) - (a_cg_g) * (a_db_g) / (a_cf_g) a_dd_h = (a_dd_g) - (a_ch_g) * (a_db_g) / (a_cf_g) a_de_h = (a_de_g) - (a_ci_g) * (a_db_g) / (a_cf_g) a_dn_h = (a_dn_g) - (a_cg_g) * (a_dm_g) / (a_cf_g) a_do_h = (a_do_g) - (a_ch_g) * (a_dm_g) / (a_cf_g) a_dp_h = (a_dp_g) - (a_ci_g) * (a_dm_g) / (a_cf_g) a_dd_i = (a_dd_h) - (a_cs_h) * (a_dc_h) / (a_cr_h) a_de_i = (a_de_h) - (a_ct_h) * (a_dc_h) / (a_cr_h) a_do_i = (a_do_h) - (a_cs_h) * (a_dn_h) / (a_cr_h) a_dp_i = (a_dp_h) - (a_ct_h) * (a_dn_h) / (a_cr_h) a_dp_j = (a_dp_i) - (a_de_i) * (a_do_i) / (a_dd_i) A_A_A = (IC4H7_ct) - (C4H5_ct) * (IC4H7_C4H5) A_B_A = (NC3H7_ct) - (C4H5_ct) * (NC3H7_C4H5) A_C_A = (NC4H9S_ct) - (C4H5_ct) * (NC4H9S_C4H5) A_D_A = (CH2CHO_ct) - (C4H5_ct) * (CH2CHO_C4H5) A_E_A = (IC3H7_ct) - (C4H5_ct) * (IC3H7_C4H5) A_F_A = (C2H3_ct) - (C4H5_ct) * (C2H3_C4H5) A_G_A = (NC4H9P_ct) - (C4H5_ct) * (NC4H9P_C4H5) A_H_A = (OH_ct) - (C4H5_ct) * (OH_C4H5) A_I_A = (C3H5GL1G_ct) - (C4H5_ct) * (C3H5GL1G_C4H5) A_J_A = (CH2C3H5_ct) - (C4H5_ct) * (CH2C3H5_C4H5) A_B_B = (A_B_A) - (A_A_A) * (a_w_a) / (a_l_a) A_C_B = (A_C_A) - (A_A_A) * (a_ah_a) / (a_l_a) A_D_B = (A_D_A) - (A_A_A) * (a_as_a) / (a_l_a) A_E_B = (A_E_A) - (A_A_A) * (a_bd_a) / (a_l_a) A_F_B = (A_F_A) - (A_A_A) * (a_bo_a) / (a_l_a) A_G_B = (A_G_A) - (A_A_A) * (a_cz_a) / (a_l_a) A_H_B = (A_H_A) - (A_A_A) * (a_ck_a) / (a_l_a) A_I_B = (A_I_A) - (A_A_A) * (a_cv_a) / (a_l_a) A_J_B = (A_J_A) - (A_A_A) * (a_dg_a) / (a_l_a) A_C_C = (A_C_B) - (A_B_B) * (a_ai_b) / (a_x_b) A_D_C = (A_D_B) - (A_B_B) * (a_at_b) / (a_x_b) A_E_C = (A_E_B) - (A_B_B) * (a_be_b) / (a_x_b) A_F_C = (A_F_B) - (A_B_B) * (a_bp_b) / (a_x_b) A_G_C = (A_G_B) - (A_B_B) * (a_ca_b) / (a_x_b) A_H_C = (A_H_B) - (A_B_B) * (a_cl_b) / (a_x_b) A_I_C = (A_I_B) - (A_B_B) * (a_cw_b) / (a_x_b) A_J_C = (A_J_B) - (A_B_B) * (a_dh_b) / (a_x_b) A_D_D = (A_D_C) - (A_C_C) * (a_au_c) / (a_aj_c) A_E_D = (A_E_C) - (A_C_C) * (a_bf_c) / (a_aj_c) A_F_D = (A_F_C) - (A_C_C) * (a_bq_c) / (a_aj_c) A_G_D = (A_G_C) - (A_C_C) * (a_cb_c) / (a_aj_c) A_H_D = (A_H_C) - (A_C_C) * (a_cm_c) / (a_aj_c) A_I_D = (A_I_C) - (A_C_C) * (a_cx_c) / (a_aj_c) A_J_D = (A_J_C) - (A_C_C) * (a_di_c) / (a_aj_c) A_E_E = (A_E_D) - (A_D_D) * (a_bg_d) / (a_av_d) A_F_E = (A_F_D) - (A_D_D) * (a_br_d) / (a_av_d) A_G_E = (A_G_D) - (A_D_D) * (a_cc_d) / (a_av_d) A_H_E = (A_H_D) - (A_D_D) * (a_cn_d) / (a_av_d) A_I_E = (A_I_D) - (A_D_D) * (a_cy_d) / (a_av_d) A_J_E = (A_J_D) - (A_D_D) * (a_dj_d) / (a_av_d) A_F_F = (A_F_E) - (A_E_E) * (a_bs_e) / (a_bh_e) A_G_F = (A_G_E) - (A_E_E) * (a_cd_e) / (a_bh_e) A_H_F = (A_H_E) - (A_E_E) * (a_co_e) / (a_bh_e) A_I_F = (A_I_E) - (A_E_E) * (a_dz_e) / (a_bh_e) A_J_F = (A_J_E) - (A_E_E) * (a_dk_e) / (a_bh_e) A_G_G = (A_G_F) - (A_F_F) * (a_ce_f) / (a_bt_f) A_H_G = (A_H_F) - (A_F_F) * (a_cp_f) / (a_bt_f) A_I_G = (A_I_F) - (A_F_F) * (a_da_f) / (a_bt_f) A_J_G = (A_J_F) - (A_F_F) * (a_dl_f) / (a_bt_f) A_H_H = (A_H_G) - (A_G_G) * (a_cq_g) / (a_cf_g) A_I_H = (A_I_G) - (A_G_G) * (a_db_g) / (a_cf_g) A_J_H = (A_J_G) - (A_G_G) * (a_dm_g) / (a_cf_g) A_I_I = (A_I_H) - (A_H_H) * (a_dc_h) / (a_cr_h) A_J_I = (A_J_H) - (A_H_H) * (a_dn_h) / (a_cr_h) A_J_J = (A_J_I) - (A_I_I) * (a_do_i) / (a_dd_i) cqss(sqssCH2C3H5) = ( A_J_J ) / ( a_dp_j ) cqss(sqssC3H5GL1G) = (A_I_I - (a_de_i) * cqss(sqssCH2C3H5)) / (a_dd_i) cqss(sqssOH) = (A_H_H - (a_ct_h) * cqss(sqssCH2C3H5) - (a_cs_h) & * cqss(sqssC3H5GL1G)) / (a_cr_h) cqss(sqssNC4H9P) = (A_G_G - (a_ci_g) * cqss(sqssCH2C3H5) - (a_ch_g) & * cqss(sqssC3H5GL1G) - (a_cg_g) * cqss(sqssOH)) & / (a_cf_g) cqss(sqssC2H3) = (A_F_F - (a_bx_f) * cqss(sqssCH2C3H5) - (a_bw_f) & * cqss(sqssC3H5GL1G) - (a_bv_f) * cqss(sqssOH) & - (a_bu_f) * cqss(sqssNC4H9P)) / (a_bt_f) cqss(sqssIC3H7) = (A_E_E - (a_bm_e) * cqss(sqssCH2C3H5) - (a_bl_e) & * cqss(sqssC3H5GL1G) - (a_bk_e) * cqss(sqssOH) & - (a_bj_e) * cqss(sqssNC4H9P) - (a_bi_e) * cqss(sqssC2H3)) & / (a_bh_e) cqss(sqssCH2CHO) = (A_D_D - (a_bb_d) * cqss(sqssCH2C3H5) - (a_ba_d) & * cqss(sqssC3H5GL1G) - (a_bz_d) * cqss(sqssOH) & - (a_ay_d) * cqss(sqssNC4H9P) - (a_ax_d) * cqss(sqssC2H3) & - (a_aw_d) * cqss(sqssIC3H7)) / (a_av_d) cqss(sqssNC4H9S) = (A_C_C - (a_aq_c) * cqss(sqssCH2C3H5) - (a_ap_c) & * cqss(sqssC3H5GL1G) - (a_ao_c) * cqss(sqssOH) & - (a_an_c) * cqss(sqssNC4H9P) - (a_am_c) * cqss(sqssC2H3) & - (a_al_c) * cqss(sqssIC3H7) - (a_ak_c) * cqss(sqssCH2CHO)) & / (a_aj_c) cqss(sqssNC3H7) = (A_B_B - (a_af_b) * cqss(sqssCH2C3H5) - (a_ae_b) & * cqss(sqssC3H5GL1G) - (a_ad_b) * cqss(sqssOH) & - (a_ac_b) * cqss(sqssNC4H9P) - (a_ab_b) * cqss(sqssC2H3) & - (a_aa_b) * cqss(sqssIC3H7) - (a_z_b) * cqss(sqssCH2CHO) & - (a_y_b) * cqss(sqssNC4H9S)) / (a_x_b) cqss(sqssIC4H7) = (A_A_A - (a_u_a) * cqss(sqssCH2C3H5) - (a_t_a) & * cqss(sqssC3H5GL1G) - (a_s_a) * cqss(sqssOH) & - (a_r_a) * cqss(sqssNC4H9P) - (a_q_a) * cqss(sqssC2H3) & - (a_p_a) * cqss(sqssIC3H7) - (a_o_a) * cqss(sqssCH2CHO) & - (a_n_a) * cqss(sqssNC4H9S) - (a_m_a) * cqss(sqssNC3H7)) & / (a_l_a) cqss(sqssC4H5) = C4H5_ct - (C4H5_CH2C3H5) * cqss(sqssCH2C3H5) & - (C4H5_C3H5GL1G) * cqss(sqssC3H5GL1G) - (C4H5_OH) & * cqss(sqssOH) - (C4H5_NC4H9P) * cqss(sqssNC4H9P) & - (C4H5_C2H3) * cqss(sqssC2H3) - (C4H5_IC3H7) & * cqss(sqssIC3H7) - (C4H5_CH2CHO) * cqss(sqssCH2CHO) & - (C4H5_NC4H9S) * cqss(sqssNC4H9S) - (C4H5_NC3H7) & * cqss(sqssNC3H7) - (C4H5_IC4H7) * cqss(sqssIC4H7) IC4H9P_denom = tiny(1.0_pr) + ( 0.0_pr & + k(r129f)& + k(r130f) ) IC4H9P_num = ( 0.0_pr & + k(r129b)* c(sC3H6) * c(sCH3) & + k(r130b)* c(sH) * c(sIC4H8) ) IC4H9P_ct = IC4H9P_num / IC4H9P_denom cqss(sqssIC4H9P) = IC4H9P_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