module mC12H262745220TJ implicit none INTEGER, PARAMETER :: pr = selected_real_kind(15,307) !< working precision integer, parameter :: nspec = 27 integer, parameter :: nreac = 452 integer, parameter :: isc_T = 1 integer, parameter :: neq = nspec + 1 ! QSS variables ! Number of QSS species integer, parameter :: nqss = 20 ! QSS species integer, dimension(nspec + nqss) :: iqss real(pr), dimension(nspec + nqss) :: W_sp,Cp_sp,h_sp,dh_sp character(len=15), dimension(nspec + nqss) :: gname character(len=5), dimension(nreac) :: rname ! Post processing variables ! Number of groups integer, parameter :: ng = 48 ! Max number of species in groups integer, parameter :: maxppn = 1 ! Number of species in each group integer, dimension(ng) :: ppn ! Species in each group integer, dimension(ng,maxppn) :: pp ! Name of species in each group character(len=30), dimension(ng) :: ppname ! Actual expression of each reaction character(len=65), dimension(nreac) :: reacexp ! Link between backward and forward rates integer, dimension(nreac) :: fofb ! Index of species integer, parameter :: sN2 = 1 integer, parameter :: sH = 2 integer, parameter :: sH2 = 3 integer, parameter :: sO = 4 integer, parameter :: sOH = 5 integer, parameter :: sO2 = 6 integer, parameter :: sH2O = 7 integer, parameter :: sHO2 = 8 integer, parameter :: sCO = 9 integer, parameter :: sCH2O = 10 integer, parameter :: sCH3 = 11 integer, parameter :: sCO2 = 12 integer, parameter :: sCH4 = 13 integer, parameter :: sC2H6 = 14 integer, parameter :: sC2H4 = 15 integer, parameter :: sCH2CO = 16 integer, parameter :: sC2H2 = 17 integer, parameter :: sC3H6 = 18 integer, parameter :: sC4H81XC4H8 = 19 integer, parameter :: sC4H6 = 20 integer, parameter :: sC5H10 = 21 integer, parameter :: sC6H12 = 22 integer, parameter :: sNXC12H26 = 23 integer, parameter :: sNO = 24 integer, parameter :: sNO2 = 25 integer, parameter :: sHCN = 26 integer, parameter :: sN2O = 27 integer, parameter :: sH2O2 = 28 integer, parameter :: sCH = 29 integer, parameter :: sCH2 = 30 integer, parameter :: sHCO = 31 integer, parameter :: sCH2DXCH2 = 32 integer, parameter :: sC2H5 = 33 integer, parameter :: sC2H3 = 34 integer, parameter :: sCH3O = 35 integer, parameter :: sHCCO = 36 integer, parameter :: sC2H = 37 integer, parameter :: sAXC3H5 = 38 integer, parameter :: sCH2CHO = 39 integer, parameter :: sNXC3H7 = 40 integer, parameter :: sC4H7 = 41 integer, parameter :: sN = 42 integer, parameter :: sNH = 43 integer, parameter :: sNCO = 44 integer, parameter :: sNH2 = 45 integer, parameter :: sHNCO = 46 integer, parameter :: sHNO = 47 ! Index of reactions integer, parameter :: r1 = 1 integer, parameter :: r2f = 2 integer, parameter :: r3 = 3 integer, parameter :: r4f = 4 integer, parameter :: r5f = 5 integer, parameter :: r6f = 6 integer, parameter :: r7f = 7 integer, parameter :: r8f = 8 integer, parameter :: r9 = 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 :: r18 = 18 integer, parameter :: r19 = 19 integer, parameter :: r20f = 20 integer, parameter :: r21 = 21 integer, parameter :: r22f = 22 integer, parameter :: r23 = 23 integer, parameter :: r24f = 24 integer, parameter :: r25 = 25 integer, parameter :: r26f = 26 integer, parameter :: r27f = 27 integer, parameter :: r28 = 28 integer, parameter :: r29 = 29 integer, parameter :: r30 = 30 integer, parameter :: r31 = 31 integer, parameter :: r32f = 32 integer, parameter :: r34 = 33 integer, parameter :: r35 = 34 integer, parameter :: r37 = 35 integer, parameter :: r38 = 36 integer, parameter :: r39f = 37 integer, parameter :: r40 = 38 integer, parameter :: r41 = 39 integer, parameter :: r42 = 40 integer, parameter :: r43 = 41 integer, parameter :: r44 = 42 integer, parameter :: r45f = 43 integer, parameter :: r46 = 44 integer, parameter :: r47 = 45 integer, parameter :: r48f = 46 integer, parameter :: r49f = 47 integer, parameter :: r50f = 48 integer, parameter :: r51f = 49 integer, parameter :: r52 = 50 integer, parameter :: r53f = 51 integer, parameter :: r54f = 52 integer, parameter :: r55f = 53 integer, parameter :: r56 = 54 integer, parameter :: r57 = 55 integer, parameter :: r58 = 56 integer, parameter :: r59 = 57 integer, parameter :: r60f = 58 integer, parameter :: r61 = 59 integer, parameter :: r62 = 60 integer, parameter :: r63f = 61 integer, parameter :: r64f = 62 integer, parameter :: r65f = 63 integer, parameter :: r66 = 64 integer, parameter :: r67f = 65 integer, parameter :: r68f = 66 integer, parameter :: r69f = 67 integer, parameter :: r70f = 68 integer, parameter :: r71f = 69 integer, parameter :: r72f = 70 integer, parameter :: r73f = 71 integer, parameter :: r74f = 72 integer, parameter :: r75f = 73 integer, parameter :: r76f = 74 integer, parameter :: r77 = 75 integer, parameter :: r78 = 76 integer, parameter :: r79 = 77 integer, parameter :: r80f = 78 integer, parameter :: r81f = 79 integer, parameter :: r82 = 80 integer, parameter :: r83 = 81 integer, parameter :: r84f = 82 integer, parameter :: r85 = 83 integer, parameter :: r86f = 84 integer, parameter :: r87 = 85 integer, parameter :: r88f = 86 integer, parameter :: r89f = 87 integer, parameter :: r90 = 88 integer, parameter :: r91f = 89 integer, parameter :: r92 = 90 integer, parameter :: r93 = 91 integer, parameter :: r94 = 92 integer, parameter :: r95 = 93 integer, parameter :: r96f = 94 integer, parameter :: r97 = 95 integer, parameter :: r98 = 96 integer, parameter :: r99f = 97 integer, parameter :: r100 = 98 integer, parameter :: r101 = 99 integer, parameter :: r102 = 100 integer, parameter :: r103 = 101 integer, parameter :: r104f = 102 integer, parameter :: r105 = 103 integer, parameter :: r106f = 104 integer, parameter :: r107 = 105 integer, parameter :: r108 = 106 integer, parameter :: r109 = 107 integer, parameter :: r110f = 108 integer, parameter :: r111 = 109 integer, parameter :: r112 = 110 integer, parameter :: r113 = 111 integer, parameter :: r114f = 112 integer, parameter :: r115f = 113 integer, parameter :: r116f = 114 integer, parameter :: r117 = 115 integer, parameter :: r118f = 116 integer, parameter :: r119 = 117 integer, parameter :: r120f = 118 integer, parameter :: r121 = 119 integer, parameter :: r122 = 120 integer, parameter :: r123f = 121 integer, parameter :: r124f = 122 integer, parameter :: r125 = 123 integer, parameter :: r127 = 124 integer, parameter :: r128 = 125 integer, parameter :: r129 = 126 integer, parameter :: r130 = 127 integer, parameter :: r131f = 128 integer, parameter :: r132f = 129 integer, parameter :: r133 = 130 integer, parameter :: r134 = 131 integer, parameter :: r135f = 132 integer, parameter :: r136f = 133 integer, parameter :: r137f = 134 integer, parameter :: r138f = 135 integer, parameter :: r139f = 136 integer, parameter :: r140f = 137 integer, parameter :: r141f = 138 integer, parameter :: r142f = 139 integer, parameter :: r143f = 140 integer, parameter :: r145 = 141 integer, parameter :: r146 = 142 integer, parameter :: r147 = 143 integer, parameter :: r148f = 144 integer, parameter :: r150 = 145 integer, parameter :: r151 = 146 integer, parameter :: r152 = 147 integer, parameter :: r153 = 148 integer, parameter :: r154f = 149 integer, parameter :: r155 = 150 integer, parameter :: r156f = 151 integer, parameter :: r157 = 152 integer, parameter :: r159 = 153 integer, parameter :: r160 = 154 integer, parameter :: r162 = 155 integer, parameter :: r163f = 156 integer, parameter :: r165f = 157 integer, parameter :: r166 = 158 integer, parameter :: r167f = 159 integer, parameter :: r168f = 160 integer, parameter :: r169f = 161 integer, parameter :: r170f = 162 integer, parameter :: r171 = 163 integer, parameter :: r172 = 164 integer, parameter :: r173 = 165 integer, parameter :: r174f = 166 integer, parameter :: r175 = 167 integer, parameter :: r176 = 168 integer, parameter :: r177f = 169 integer, parameter :: r179f = 170 integer, parameter :: r180f = 171 integer, parameter :: r181f = 172 integer, parameter :: r182 = 173 integer, parameter :: r183 = 174 integer, parameter :: r184f = 175 integer, parameter :: r185 = 176 integer, parameter :: r186f = 177 integer, parameter :: r187f = 178 integer, parameter :: r188 = 179 integer, parameter :: r189f = 180 integer, parameter :: r190 = 181 integer, parameter :: r191 = 182 integer, parameter :: r192 = 183 integer, parameter :: r193f = 184 integer, parameter :: r194 = 185 integer, parameter :: r195f = 186 integer, parameter :: r196 = 187 integer, parameter :: r197 = 188 integer, parameter :: r198 = 189 integer, parameter :: r199 = 190 integer, parameter :: r200 = 191 integer, parameter :: r201f = 192 integer, parameter :: r203 = 193 integer, parameter :: r204 = 194 integer, parameter :: r205 = 195 integer, parameter :: r206 = 196 integer, parameter :: r207 = 197 integer, parameter :: r208 = 198 integer, parameter :: r209 = 199 integer, parameter :: r210f = 200 integer, parameter :: r211f = 201 integer, parameter :: r212f = 202 integer, parameter :: r213 = 203 integer, parameter :: r214 = 204 integer, parameter :: r215 = 205 integer, parameter :: r216 = 206 integer, parameter :: r217 = 207 integer, parameter :: r218 = 208 integer, parameter :: r219f = 209 integer, parameter :: r220 = 210 integer, parameter :: r222 = 211 integer, parameter :: r223 = 212 integer, parameter :: r225 = 213 integer, parameter :: r226 = 214 integer, parameter :: r227 = 215 integer, parameter :: r228 = 216 integer, parameter :: r229 = 217 integer, parameter :: r230 = 218 integer, parameter :: r231 = 219 integer, parameter :: r232 = 220 integer, parameter :: r233 = 221 integer, parameter :: r234 = 222 integer, parameter :: r235 = 223 integer, parameter :: r236 = 224 integer, parameter :: r237 = 225 integer, parameter :: r238 = 226 integer, parameter :: r239 = 227 integer, parameter :: r240 = 228 integer, parameter :: r241 = 229 integer, parameter :: r242 = 230 integer, parameter :: r243 = 231 integer, parameter :: r244 = 232 integer, parameter :: r245 = 233 integer, parameter :: r246 = 234 integer, parameter :: r247 = 235 integer, parameter :: r248 = 236 integer, parameter :: r249 = 237 integer, parameter :: r250 = 238 integer, parameter :: r251 = 239 integer, parameter :: r253 = 240 integer, parameter :: r254 = 241 integer, parameter :: r257 = 242 integer, parameter :: r258 = 243 integer, parameter :: r259 = 244 integer, parameter :: r260 = 245 integer, parameter :: r261 = 246 integer, parameter :: r262 = 247 integer, parameter :: r263 = 248 integer, parameter :: r264 = 249 integer, parameter :: r265 = 250 integer, parameter :: r266 = 251 integer, parameter :: r267 = 252 integer, parameter :: r268 = 253 integer, parameter :: r269 = 254 integer, parameter :: r270 = 255 integer, parameter :: r272 = 256 integer, parameter :: r273 = 257 integer, parameter :: r274 = 258 integer, parameter :: r275 = 259 integer, parameter :: r276 = 260 integer, parameter :: r277 = 261 integer, parameter :: r278 = 262 integer, parameter :: r279 = 263 integer, parameter :: r280 = 264 integer, parameter :: r281 = 265 integer, parameter :: r282 = 266 integer, parameter :: r283 = 267 integer, parameter :: r284 = 268 integer, parameter :: r285 = 269 integer, parameter :: r286 = 270 integer, parameter :: r287 = 271 integer, parameter :: r288 = 272 integer, parameter :: r289 = 273 integer, parameter :: r290 = 274 integer, parameter :: r291 = 275 integer, parameter :: r292 = 276 integer, parameter :: r293 = 277 integer, parameter :: r294 = 278 integer, parameter :: r295 = 279 integer, parameter :: r296 = 280 integer, parameter :: r297 = 281 integer, parameter :: r298 = 282 integer, parameter :: r299 = 283 integer, parameter :: r300 = 284 integer, parameter :: r301 = 285 integer, parameter :: r302 = 286 integer, parameter :: r303 = 287 integer, parameter :: r304 = 288 integer, parameter :: r305 = 289 integer, parameter :: r306 = 290 integer, parameter :: r307 = 291 integer, parameter :: r308 = 292 integer, parameter :: r309 = 293 integer, parameter :: r310 = 294 integer, parameter :: r311 = 295 integer, parameter :: r312 = 296 integer, parameter :: r313 = 297 integer, parameter :: r314 = 298 integer, parameter :: r315 = 299 integer, parameter :: r316 = 300 integer, parameter :: r317 = 301 integer, parameter :: r318 = 302 integer, parameter :: r319 = 303 integer, parameter :: r320 = 304 integer, parameter :: r321 = 305 integer, parameter :: r322 = 306 integer, parameter :: r323 = 307 integer, parameter :: r324 = 308 integer, parameter :: r325 = 309 integer, parameter :: r326 = 310 integer, parameter :: r327 = 311 integer, parameter :: r328 = 312 integer, parameter :: r329 = 313 integer, parameter :: r330 = 314 integer, parameter :: r331 = 315 integer, parameter :: r332 = 316 integer, parameter :: r334 = 317 integer, parameter :: r335 = 318 integer, parameter :: r336 = 319 integer, parameter :: r337 = 320 integer, parameter :: r338 = 321 integer, parameter :: r339 = 322 integer, parameter :: r340 = 323 integer, parameter :: r341 = 324 integer, parameter :: r342 = 325 integer, parameter :: r343 = 326 integer, parameter :: r344 = 327 integer, parameter :: r345 = 328 integer, parameter :: r346 = 329 integer, parameter :: r347 = 330 integer, parameter :: r348 = 331 integer, parameter :: r349 = 332 integer, parameter :: r350 = 333 integer, parameter :: r351 = 334 integer, parameter :: r352 = 335 integer, parameter :: r353 = 336 integer, parameter :: r354 = 337 integer, parameter :: r355 = 338 integer, parameter :: r356 = 339 integer, parameter :: r357 = 340 integer, parameter :: r358 = 341 integer, parameter :: r359 = 342 integer, parameter :: r360 = 343 integer, parameter :: r361 = 344 integer, parameter :: r362f = 345 integer, parameter :: r363 = 346 integer, parameter :: r364 = 347 integer, parameter :: r365 = 348 integer, parameter :: r366 = 349 integer, parameter :: r367 = 350 integer, parameter :: r368 = 351 integer, parameter :: r369 = 352 integer, parameter :: r370 = 353 integer, parameter :: r2b = 354 integer, parameter :: r4b = 355 integer, parameter :: r5b = 356 integer, parameter :: r6b = 357 integer, parameter :: r7b = 358 integer, parameter :: r8b = 359 integer, parameter :: r10b = 360 integer, parameter :: r11b = 361 integer, parameter :: r12b = 362 integer, parameter :: r13b = 363 integer, parameter :: r14b = 364 integer, parameter :: r15b = 365 integer, parameter :: r16b = 366 integer, parameter :: r17b = 367 integer, parameter :: r20b = 368 integer, parameter :: r22b = 369 integer, parameter :: r24b = 370 integer, parameter :: r26b = 371 integer, parameter :: r27b = 372 integer, parameter :: r32b = 373 integer, parameter :: r39b = 374 integer, parameter :: r45b = 375 integer, parameter :: r48b = 376 integer, parameter :: r49b = 377 integer, parameter :: r50b = 378 integer, parameter :: r51b = 379 integer, parameter :: r53b = 380 integer, parameter :: r54b = 381 integer, parameter :: r55b = 382 integer, parameter :: r60b = 383 integer, parameter :: r63b = 384 integer, parameter :: r64b = 385 integer, parameter :: r65b = 386 integer, parameter :: r67b = 387 integer, parameter :: r68b = 388 integer, parameter :: r69b = 389 integer, parameter :: r70b = 390 integer, parameter :: r71b = 391 integer, parameter :: r72b = 392 integer, parameter :: r73b = 393 integer, parameter :: r74b = 394 integer, parameter :: r75b = 395 integer, parameter :: r76b = 396 integer, parameter :: r80b = 397 integer, parameter :: r81b = 398 integer, parameter :: r84b = 399 integer, parameter :: r86b = 400 integer, parameter :: r88b = 401 integer, parameter :: r89b = 402 integer, parameter :: r91b = 403 integer, parameter :: r96b = 404 integer, parameter :: r99b = 405 integer, parameter :: r104b = 406 integer, parameter :: r106b = 407 integer, parameter :: r110b = 408 integer, parameter :: r114b = 409 integer, parameter :: r115b = 410 integer, parameter :: r116b = 411 integer, parameter :: r118b = 412 integer, parameter :: r120b = 413 integer, parameter :: r123b = 414 integer, parameter :: r124b = 415 integer, parameter :: r131b = 416 integer, parameter :: r132b = 417 integer, parameter :: r135b = 418 integer, parameter :: r136b = 419 integer, parameter :: r137b = 420 integer, parameter :: r138b = 421 integer, parameter :: r139b = 422 integer, parameter :: r140b = 423 integer, parameter :: r141b = 424 integer, parameter :: r142b = 425 integer, parameter :: r143b = 426 integer, parameter :: r148b = 427 integer, parameter :: r154b = 428 integer, parameter :: r156b = 429 integer, parameter :: r163b = 430 integer, parameter :: r165b = 431 integer, parameter :: r167b = 432 integer, parameter :: r168b = 433 integer, parameter :: r169b = 434 integer, parameter :: r170b = 435 integer, parameter :: r174b = 436 integer, parameter :: r177b = 437 integer, parameter :: r179b = 438 integer, parameter :: r180b = 439 integer, parameter :: r181b = 440 integer, parameter :: r184b = 441 integer, parameter :: r186b = 442 integer, parameter :: r187b = 443 integer, parameter :: r189b = 444 integer, parameter :: r193b = 445 integer, parameter :: r195b = 446 integer, parameter :: r201b = 447 integer, parameter :: r210b = 448 integer, parameter :: r211b = 449 integer, parameter :: r212b = 450 integer, parameter :: r219b = 451 integer, parameter :: r362b = 452 ! Index of third bodies integer, parameter :: mM43 = 1 integer, parameter :: mM47 = 2 integer, parameter :: mM81 = 3 integer, parameter :: mM9 = 4 integer, parameter :: mM76 = 5 integer, parameter :: mM6 = 6 integer, parameter :: mM7 = 7 integer, parameter :: mM78 = 8 integer, parameter :: mM36 = 9 integer, parameter :: mM22 = 10 integer, parameter :: mM69 = 11 integer, parameter :: mM28 = 12 integer, parameter :: mM29 = 13 integer, parameter :: mM16 = 14 integer, parameter :: mM11 = 15 integer, parameter :: mM70 = 16 integer, parameter :: mM17 = 17 integer, parameter :: mM10 = 18 integer, parameter :: mM1 = 19 integer, parameter :: mM2 = 20 integer, parameter :: mM3 = 21 integer, parameter :: mM13 = 22 integer, parameter :: mM24 = 23 integer, parameter :: mM79 = 24 integer, parameter :: mM68 = 25 integer, parameter :: mM30 = 26 integer, parameter :: mM5 = 27 integer, parameter :: mM42 = 28 integer, parameter :: mM12 = 29 integer, parameter :: mM71 = 30 integer, parameter :: mM80 = 31 integer, parameter :: mM77 = 32 integer, parameter :: mM41 = 33 integer, parameter :: mM37 = 34 integer, parameter :: mM19 = 35 integer, parameter :: mM8 = 36 integer, parameter :: mM4 = 37 contains ! Name of mechanism ! subroutine which_mechanism ! use parallel !implicit none ! if (irank.eq.iroot) print*, 'Using mechanism reducedecouple.mech' ! end subroutine which_mechanism ! Subroutine to define groups for post-processing subroutine pp_data implicit none ! Number of species in each group ppn(1) = 1 ppn(2) = 1 ppn(3) = 1 ppn(4) = 1 ppn(5) = 1 ppn(6) = 1 ppn(7) = 1 ppn(8) = 1 ppn(9) = 1 ppn(10) = 1 ppn(11) = 1 ppn(12) = 1 ppn(13) = 1 ppn(14) = 1 ppn(15) = 1 ppn(16) = 1 ppn(17) = 1 ppn(18) = 1 ppn(19) = 1 ppn(20) = 1 ppn(21) = 1 ppn(22) = 1 ppn(23) = 1 ppn(24) = 1 ppn(25) = 1 ppn(26) = 1 ppn(27) = 1 ppn(28) = 1 ppn(29) = 1 ppn(30) = 1 ppn(31) = 1 ppn(32) = 1 ppn(33) = 1 ppn(34) = 1 ppn(35) = 1 ppn(36) = 1 ppn(37) = 1 ppn(38) = 1 ppn(39) = 1 ppn(40) = 1 ppn(41) = 1 ppn(42) = 1 ppn(43) = 1 ppn(44) = 1 ppn(45) = 1 ppn(46) = 1 ppn(47) = 1 ppn(48) = 1 ! Indices of species in each group pp(1,1) = 1 pp(2,1) = 2 pp(3,1) = 3 pp(4,1) = 4 pp(5,1) = 5 pp(6,1) = 6 pp(7,1) = 7 pp(8,1) = 8 pp(9,1) = 9 pp(10,1) = 10 pp(11,1) = 11 pp(12,1) = 12 pp(13,1) = 13 pp(14,1) = 14 pp(15,1) = 15 pp(16,1) = 16 pp(17,1) = 17 pp(18,1) = 18 pp(19,1) = 19 pp(20,1) = 20 pp(21,1) = 21 pp(22,1) = 22 pp(23,1) = 23 pp(24,1) = 24 pp(25,1) = 25 pp(26,1) = 26 pp(27,1) = 27 pp(28,1) = 28 pp(29,1) = 29 pp(30,1) = 30 pp(31,1) = 31 pp(32,1) = 32 pp(33,1) = 33 pp(34,1) = 34 pp(35,1) = 35 pp(36,1) = 36 pp(37,1) = 37 pp(38,1) = 38 pp(39,1) = 39 pp(40,1) = 40 pp(41,1) = 41 pp(42,1) = 42 pp(43,1) = 43 pp(44,1) = 44 pp(45,1) = 45 pp(46,1) = 46 pp(47,1) = 47 pp(48,1) = 1 ! Name of group of species ppname(1) = trim(gname(sN2)) ppname(2) = trim(gname(sH)) ppname(3) = trim(gname(sH2)) ppname(4) = trim(gname(sO)) ppname(5) = trim(gname(sOH)) ppname(6) = trim(gname(sO2)) ppname(7) = trim(gname(sH2O2)) ppname(8) = trim(gname(sH2O)) ppname(9) = trim(gname(sHO2)) ppname(10) = trim(gname(sCH)) ppname(11) = trim(gname(sCH2)) ppname(12) = trim(gname(sCO)) ppname(13) = trim(gname(sHCO)) ppname(14) = trim(gname(sCH2O)) ppname(15) = trim(gname(sCH3)) ppname(16) = trim(gname(sCO2)) ppname(17) = trim(gname(sCH2DXCH2)) ppname(18) = trim(gname(sCH4)) ppname(19) = trim(gname(sC2H5)) ppname(20) = trim(gname(sC2H6)) ppname(21) = trim(gname(sC2H4)) ppname(22) = trim(gname(sC2H3)) ppname(23) = trim(gname(sCH3O)) ppname(24) = trim(gname(sHCCO)) ppname(25) = trim(gname(sCH2CO)) ppname(26) = trim(gname(sC2H)) ppname(27) = trim(gname(sC2H2)) ppname(28) = trim(gname(sC3H6)) ppname(29) = trim(gname(sAXC3H5)) ppname(30) = trim(gname(sCH2CHO)) ppname(31) = trim(gname(sNXC3H7)) ppname(32) = trim(gname(sC4H81XC4H8)) ppname(33) = trim(gname(sC4H6)) ppname(34) = trim(gname(sC4H7)) ppname(35) = trim(gname(sC5H10)) ppname(36) = trim(gname(sC6H12)) ppname(37) = trim(gname(sNXC12H26)) ppname(38) = trim(gname(sN)) ppname(39) = trim(gname(sNO)) ppname(40) = trim(gname(sNH)) ppname(41) = trim(gname(sNCO)) ppname(42) = trim(gname(sNH2)) ppname(43) = trim(gname(sHNCO)) ppname(44) = trim(gname(sHNO)) ppname(45) = trim(gname(sNO2)) ppname(46) = trim(gname(sHCN)) ppname(47) = trim(gname(sN2O)) ppname(48) = 'N2X' end subroutine pp_data ! Molar mass subroutine molar_mass implicit none W_sp(sN2) = 0.02801348_pr W_sp(sH) = 0.00100794_pr W_sp(sH2) = 0.00201588_pr W_sp(sO) = 0.0159994_pr W_sp(sOH) = 0.01700734_pr W_sp(sO2) = 0.0319988_pr W_sp(sH2O2) = 0.03401468_pr W_sp(sH2O) = 0.01801528_pr W_sp(sHO2) = 0.03300674_pr W_sp(sCH) = 0.01301894_pr W_sp(sCH2) = 0.01402688_pr W_sp(sCO) = 0.0280104_pr W_sp(sHCO) = 0.02901834_pr W_sp(sCH2O) = 0.03002628_pr W_sp(sCH3) = 0.01503482_pr W_sp(sCO2) = 0.0440098_pr W_sp(sCH2DXCH2) = 0.01402688_pr W_sp(sCH4) = 0.01604276_pr W_sp(sC2H5) = 0.0290617_pr W_sp(sC2H6) = 0.03006964_pr W_sp(sC2H4) = 0.02805376_pr W_sp(sC2H3) = 0.02704582_pr W_sp(sCH3O) = 0.03103422_pr W_sp(sHCCO) = 0.04102934_pr W_sp(sCH2CO) = 0.04203728_pr W_sp(sC2H) = 0.02502994_pr W_sp(sC2H2) = 0.02603788_pr W_sp(sC3H6) = 0.04208064_pr W_sp(sAXC3H5) = 0.0410727_pr W_sp(sCH2CHO) = 0.04304522_pr W_sp(sNXC3H7) = 0.04308858_pr W_sp(sC4H81XC4H8) = 0.05610752_pr W_sp(sC4H6) = 0.05409164_pr W_sp(sC4H7) = 0.05509958_pr W_sp(sC5H10) = 0.0701344_pr W_sp(sC6H12) = 0.08416128_pr W_sp(sNXC12H26) = 0.17033844_pr W_sp(sN) = 0.01400674_pr W_sp(sNO) = 0.03000614_pr W_sp(sNH) = 0.01501468_pr W_sp(sNCO) = 0.04201714_pr W_sp(sNH2) = 0.01602262_pr W_sp(sHNCO) = 0.04302508_pr W_sp(sHNO) = 0.03101408_pr W_sp(sNO2) = 0.04600554_pr W_sp(sHCN) = 0.02702568_pr W_sp(sN2O) = 0.04401288_pr end subroutine molar_mass ! Species names subroutine species_name implicit none gname(sN2) = 'N2' gname(sH) = 'H' gname(sH2) = 'H2' gname(sO) = 'O' gname(sOH) = 'OH' gname(sO2) = 'O2' gname(sH2O2) = 'H2O2' gname(sH2O) = 'H2O' gname(sHO2) = 'HO2' gname(sCH) = 'CH' gname(sCH2) = 'CH2' gname(sCO) = 'CO' gname(sHCO) = 'HCO' gname(sCH2O) = 'CH2O' gname(sCH3) = 'CH3' gname(sCO2) = 'CO2' gname(sCH2DXCH2) = 'CH2D-CH2' gname(sCH4) = 'CH4' gname(sC2H5) = 'C2H5' gname(sC2H6) = 'C2H6' gname(sC2H4) = 'C2H4' gname(sC2H3) = 'C2H3' gname(sCH3O) = 'CH3O' gname(sHCCO) = 'HCCO' gname(sCH2CO) = 'CH2CO' gname(sC2H) = 'C2H' gname(sC2H2) = 'C2H2' gname(sC3H6) = 'C3H6' gname(sAXC3H5) = 'A-C3H5' gname(sCH2CHO) = 'CH2CHO' gname(sNXC3H7) = 'N-C3H7' gname(sC4H81XC4H8) = 'C4H81-C4H8' gname(sC4H6) = 'C4H6' gname(sC4H7) = 'C4H7' gname(sC5H10) = 'C5H10' gname(sC6H12) = 'C6H12' gname(sNXC12H26) = 'N-C12H26' gname(sN) = 'N' gname(sNO) = 'NO' gname(sNH) = 'NH' gname(sNCO) = 'NCO' gname(sNH2) = 'NH2' gname(sHNCO) = 'HNCO' gname(sHNO) = 'HNO' gname(sNO2) = 'NO2' gname(sHCN) = 'HCN' gname(sN2O) = 'N2O' end subroutine species_name ! Reaction names subroutine reaction_name implicit none rname(r1) = '1' rname(r2f) = '2f' rname(r3) = '3' rname(r4f) = '4f' rname(r5f) = '5f' rname(r6f) = '6f' rname(r7f) = '7f' rname(r8f) = '8f' rname(r9) = '9' rname(r10f) = '10f' rname(r11f) = '11f' rname(r12f) = '12f' rname(r13f) = '13f' rname(r14f) = '14f' rname(r15f) = '15f' rname(r16f) = '16f' rname(r17f) = '17f' rname(r18) = '18' rname(r19) = '19' rname(r20f) = '20f' rname(r21) = '21' rname(r22f) = '22f' rname(r23) = '23' rname(r24f) = '24f' rname(r25) = '25' rname(r26f) = '26f' rname(r27f) = '27f' rname(r28) = '28' rname(r29) = '29' rname(r30) = '30' rname(r31) = '31' rname(r32f) = '32f' rname(r34) = '34' rname(r35) = '35' rname(r37) = '37' rname(r38) = '38' rname(r39f) = '39f' rname(r40) = '40' rname(r41) = '41' rname(r42) = '42' rname(r43) = '43' rname(r44) = '44' rname(r45f) = '45f' rname(r46) = '46' rname(r47) = '47' rname(r48f) = '48f' rname(r49f) = '49f' rname(r50f) = '50f' rname(r51f) = '51f' rname(r52) = '52' rname(r53f) = '53f' rname(r54f) = '54f' rname(r55f) = '55f' rname(r56) = '56' rname(r57) = '57' rname(r58) = '58' rname(r59) = '59' rname(r60f) = '60f' rname(r61) = '61' rname(r62) = '62' rname(r63f) = '63f' rname(r64f) = '64f' rname(r65f) = '65f' rname(r66) = '66' rname(r67f) = '67f' rname(r68f) = '68f' rname(r69f) = '69f' rname(r70f) = '70f' rname(r71f) = '71f' rname(r72f) = '72f' rname(r73f) = '73f' rname(r74f) = '74f' rname(r75f) = '75f' rname(r76f) = '76f' rname(r77) = '77' rname(r78) = '78' rname(r79) = '79' rname(r80f) = '80f' rname(r81f) = '81f' rname(r82) = '82' rname(r83) = '83' rname(r84f) = '84f' rname(r85) = '85' rname(r86f) = '86f' rname(r87) = '87' rname(r88f) = '88f' rname(r89f) = '89f' rname(r90) = '90' rname(r91f) = '91f' rname(r92) = '92' rname(r93) = '93' rname(r94) = '94' rname(r95) = '95' rname(r96f) = '96f' rname(r97) = '97' rname(r98) = '98' rname(r99f) = '99f' rname(r100) = '100' rname(r101) = '101' rname(r102) = '102' rname(r103) = '103' rname(r104f) = '104f' rname(r105) = '105' rname(r106f) = '106f' rname(r107) = '107' rname(r108) = '108' rname(r109) = '109' rname(r110f) = '110f' rname(r111) = '111' rname(r112) = '112' rname(r113) = '113' rname(r114f) = '114f' rname(r115f) = '115f' rname(r116f) = '116f' rname(r117) = '117' rname(r118f) = '118f' rname(r119) = '119' rname(r120f) = '120f' rname(r121) = '121' rname(r122) = '122' rname(r123f) = '123f' rname(r124f) = '124f' rname(r125) = '125' rname(r127) = '127' rname(r128) = '128' rname(r129) = '129' rname(r130) = '130' rname(r131f) = '131f' rname(r132f) = '132f' rname(r133) = '133' rname(r134) = '134' rname(r135f) = '135f' rname(r136f) = '136f' rname(r137f) = '137f' rname(r138f) = '138f' rname(r139f) = '139f' rname(r140f) = '140f' rname(r141f) = '141f' rname(r142f) = '142f' rname(r143f) = '143f' rname(r145) = '145' rname(r146) = '146' rname(r147) = '147' rname(r148f) = '148f' rname(r150) = '150' rname(r151) = '151' rname(r152) = '152' rname(r153) = '153' rname(r154f) = '154f' rname(r155) = '155' rname(r156f) = '156f' rname(r157) = '157' rname(r159) = '159' rname(r160) = '160' rname(r162) = '162' rname(r163f) = '163f' rname(r165f) = '165f' rname(r166) = '166' rname(r167f) = '167f' rname(r168f) = '168f' rname(r169f) = '169f' rname(r170f) = '170f' rname(r171) = '171' rname(r172) = '172' rname(r173) = '173' rname(r174f) = '174f' rname(r175) = '175' rname(r176) = '176' rname(r177f) = '177f' rname(r179f) = '179f' rname(r180f) = '180f' rname(r181f) = '181f' rname(r182) = '182' rname(r183) = '183' rname(r184f) = '184f' rname(r185) = '185' rname(r186f) = '186f' rname(r187f) = '187f' rname(r188) = '188' rname(r189f) = '189f' rname(r190) = '190' rname(r191) = '191' rname(r192) = '192' rname(r193f) = '193f' rname(r194) = '194' rname(r195f) = '195f' rname(r196) = '196' rname(r197) = '197' rname(r198) = '198' rname(r199) = '199' rname(r200) = '200' rname(r201f) = '201f' rname(r203) = '203' rname(r204) = '204' rname(r205) = '205' rname(r206) = '206' rname(r207) = '207' rname(r208) = '208' rname(r209) = '209' rname(r210f) = '210f' rname(r211f) = '211f' rname(r212f) = '212f' rname(r213) = '213' rname(r214) = '214' rname(r215) = '215' rname(r216) = '216' rname(r217) = '217' rname(r218) = '218' rname(r219f) = '219f' rname(r220) = '220' rname(r222) = '222' rname(r223) = '223' rname(r225) = '225' rname(r226) = '226' rname(r227) = '227' rname(r228) = '228' rname(r229) = '229' rname(r230) = '230' rname(r231) = '231' rname(r232) = '232' rname(r233) = '233' rname(r234) = '234' rname(r235) = '235' rname(r236) = '236' rname(r237) = '237' rname(r238) = '238' rname(r239) = '239' rname(r240) = '240' rname(r241) = '241' rname(r242) = '242' rname(r243) = '243' rname(r244) = '244' rname(r245) = '245' rname(r246) = '246' rname(r247) = '247' rname(r248) = '248' rname(r249) = '249' rname(r250) = '250' rname(r251) = '251' rname(r253) = '253' rname(r254) = '254' rname(r257) = '257' rname(r258) = '258' rname(r259) = '259' rname(r260) = '260' rname(r261) = '261' rname(r262) = '262' rname(r263) = '263' rname(r264) = '264' rname(r265) = '265' rname(r266) = '266' rname(r267) = '267' rname(r268) = '268' rname(r269) = '269' rname(r270) = '270' rname(r272) = '272' rname(r273) = '273' rname(r274) = '274' rname(r275) = '275' rname(r276) = '276' rname(r277) = '277' rname(r278) = '278' rname(r279) = '279' rname(r280) = '280' rname(r281) = '281' rname(r282) = '282' rname(r283) = '283' rname(r284) = '284' rname(r285) = '285' rname(r286) = '286' rname(r287) = '287' rname(r288) = '288' rname(r289) = '289' rname(r290) = '290' rname(r291) = '291' rname(r292) = '292' rname(r293) = '293' rname(r294) = '294' rname(r295) = '295' rname(r296) = '296' rname(r297) = '297' rname(r298) = '298' rname(r299) = '299' rname(r300) = '300' rname(r301) = '301' rname(r302) = '302' rname(r303) = '303' rname(r304) = '304' rname(r305) = '305' rname(r306) = '306' rname(r307) = '307' rname(r308) = '308' rname(r309) = '309' rname(r310) = '310' rname(r311) = '311' rname(r312) = '312' rname(r313) = '313' rname(r314) = '314' rname(r315) = '315' rname(r316) = '316' rname(r317) = '317' rname(r318) = '318' rname(r319) = '319' rname(r320) = '320' rname(r321) = '321' rname(r322) = '322' rname(r323) = '323' rname(r324) = '324' rname(r325) = '325' rname(r326) = '326' rname(r327) = '327' rname(r328) = '328' rname(r329) = '329' rname(r330) = '330' rname(r331) = '331' rname(r332) = '332' rname(r334) = '334' rname(r335) = '335' rname(r336) = '336' rname(r337) = '337' rname(r338) = '338' rname(r339) = '339' rname(r340) = '340' rname(r341) = '341' rname(r342) = '342' rname(r343) = '343' rname(r344) = '344' rname(r345) = '345' rname(r346) = '346' rname(r347) = '347' rname(r348) = '348' rname(r349) = '349' rname(r350) = '350' rname(r351) = '351' rname(r352) = '352' rname(r353) = '353' rname(r354) = '354' rname(r355) = '355' rname(r356) = '356' rname(r357) = '357' rname(r358) = '358' rname(r359) = '359' rname(r360) = '360' rname(r361) = '361' rname(r362f) = '362f' rname(r363) = '363' rname(r364) = '364' rname(r365) = '365' rname(r366) = '366' rname(r367) = '367' rname(r368) = '368' rname(r369) = '369' rname(r370) = '370' rname(r2b) = '2b' rname(r4b) = '4b' rname(r5b) = '5b' rname(r6b) = '6b' rname(r7b) = '7b' rname(r8b) = '8b' rname(r10b) = '10b' rname(r11b) = '11b' rname(r12b) = '12b' rname(r13b) = '13b' rname(r14b) = '14b' rname(r15b) = '15b' rname(r16b) = '16b' rname(r17b) = '17b' rname(r20b) = '20b' rname(r22b) = '22b' rname(r24b) = '24b' rname(r26b) = '26b' rname(r27b) = '27b' rname(r32b) = '32b' rname(r39b) = '39b' rname(r45b) = '45b' rname(r48b) = '48b' rname(r49b) = '49b' rname(r50b) = '50b' rname(r51b) = '51b' rname(r53b) = '53b' rname(r54b) = '54b' rname(r55b) = '55b' rname(r60b) = '60b' rname(r63b) = '63b' rname(r64b) = '64b' rname(r65b) = '65b' rname(r67b) = '67b' rname(r68b) = '68b' rname(r69b) = '69b' rname(r70b) = '70b' rname(r71b) = '71b' rname(r72b) = '72b' rname(r73b) = '73b' rname(r74b) = '74b' rname(r75b) = '75b' rname(r76b) = '76b' rname(r80b) = '80b' rname(r81b) = '81b' rname(r84b) = '84b' rname(r86b) = '86b' rname(r88b) = '88b' rname(r89b) = '89b' rname(r91b) = '91b' rname(r96b) = '96b' rname(r99b) = '99b' rname(r104b) = '104b' rname(r106b) = '106b' rname(r110b) = '110b' rname(r114b) = '114b' rname(r115b) = '115b' rname(r116b) = '116b' rname(r118b) = '118b' rname(r120b) = '120b' rname(r123b) = '123b' rname(r124b) = '124b' rname(r131b) = '131b' rname(r132b) = '132b' rname(r135b) = '135b' rname(r136b) = '136b' rname(r137b) = '137b' rname(r138b) = '138b' rname(r139b) = '139b' rname(r140b) = '140b' rname(r141b) = '141b' rname(r142b) = '142b' rname(r143b) = '143b' rname(r148b) = '148b' rname(r154b) = '154b' rname(r156b) = '156b' rname(r163b) = '163b' rname(r165b) = '165b' rname(r167b) = '167b' rname(r168b) = '168b' rname(r169b) = '169b' rname(r170b) = '170b' rname(r174b) = '174b' rname(r177b) = '177b' rname(r179b) = '179b' rname(r180b) = '180b' rname(r181b) = '181b' rname(r184b) = '184b' rname(r186b) = '186b' rname(r187b) = '187b' rname(r189b) = '189b' rname(r193b) = '193b' rname(r195b) = '195b' rname(r201b) = '201b' rname(r210b) = '210b' rname(r211b) = '211b' rname(r212b) = '212b' rname(r219b) = '219b' rname(r362b) = '362b' end subroutine reaction_name ! List of QSS species subroutine QSS_list implicit none iqss(sN2) = 0 iqss(sH) = 0 iqss(sH2) = 0 iqss(sO) = 0 iqss(sOH) = 0 iqss(sO2) = 0 iqss(sH2O2) = 1 iqss(sH2O) = 0 iqss(sHO2) = 0 iqss(sCH) = 1 iqss(sCH2) = 1 iqss(sCO) = 0 iqss(sHCO) = 1 iqss(sCH2O) = 0 iqss(sCH3) = 0 iqss(sCO2) = 0 iqss(sCH2DXCH2) = 1 iqss(sCH4) = 0 iqss(sC2H5) = 1 iqss(sC2H6) = 0 iqss(sC2H4) = 0 iqss(sC2H3) = 1 iqss(sCH3O) = 1 iqss(sHCCO) = 1 iqss(sCH2CO) = 0 iqss(sC2H) = 1 iqss(sC2H2) = 0 iqss(sC3H6) = 0 iqss(sAXC3H5) = 1 iqss(sCH2CHO) = 1 iqss(sNXC3H7) = 1 iqss(sC4H81XC4H8) = 0 iqss(sC4H6) = 0 iqss(sC4H7) = 1 iqss(sC5H10) = 0 iqss(sC6H12) = 0 iqss(sNXC12H26) = 0 iqss(sN) = 1 iqss(sNO) = 0 iqss(sNH) = 1 iqss(sNCO) = 1 iqss(sNH2) = 1 iqss(sHNCO) = 1 iqss(sHNO) = 1 iqss(sNO2) = 0 iqss(sHCN) = 0 iqss(sN2O) = 0 end subroutine QSS_list ! Subroutine for pressure dependent coefficients real(pr) function getlindratecoeff (Tloc,k0,kinf,fc,concin,Ploc) implicit none real(pr) :: Tloc,k0,kinf,fc,Ploc real(pr), parameter :: R = 8.31434_pr real(pr) :: ntmp,ccoeff,dcoeff,lgknull real(pr) :: f real(pr) :: conc, concin if (concin.gt.0.0_pr) then conc = concin else conc = Ploc / ( R * Tloc ) end if ntmp = 0.75_pr - 1.27_pr * dlog10( fc ) ccoeff = - 0.4_pr - 0.67_pr * dlog10( fc ) dcoeff = 0.14_pr k0 = k0 * conc / max(kinf, 1.0e-60_pr) lgknull = dlog10(k0) f = (lgknull+ccoeff)/(ntmp-dcoeff*(lgknull+ccoeff)) f = fc**(1.0_pr / ( f * f + 1.0_pr )) getlindratecoeff = kinf * f * k0 / ( 1.0_pr + k0 ) end function getlindratecoeff subroutine YtoC(c,P,T,Y) implicit none real(pr), dimension(nspec) :: c,Y real(pr) :: bla, P, T integer :: K call molar_mass c(sN2) = Y(sN2) / W_sp(sN2) c(sH) = Y(sH) / W_sp(sH) c(sH2) = Y(sH2) / W_sp(sH2) c(sO) = Y(sO) / W_sp(sO) c(sOH) = Y(sOH) / W_sp(sOH) c(sO2) = Y(sO2) / W_sp(sO2) !c(sH2O2) = Y(sH2O2) / W_sp(sH2O2) c(sH2O) = Y(sH2O) / W_sp(sH2O) c(sHO2) = Y(sHO2) / W_sp(sHO2) !c(sCH) = Y(sCH) / W_sp(sCH) !c(sCH2) = Y(sCH2) / W_sp(sCH2) c(sCO) = Y(sCO) / W_sp(sCO) !c(sHCO) = Y(sHCO) / W_sp(sHCO) c(sCH2O) = Y(sCH2O) / W_sp(sCH2O) c(sCH3) = Y(sCH3) / W_sp(sCH3) c(sCO2) = Y(sCO2) / W_sp(sCO2) !c(sCH2DXCH2) = Y(sCH2DXCH2) / W_sp(sCH2DXCH2) c(sCH4) = Y(sCH4) / W_sp(sCH4) !c(sC2H5) = Y(sC2H5) / W_sp(sC2H5) c(sC2H6) = Y(sC2H6) / W_sp(sC2H6) c(sC2H4) = Y(sC2H4) / W_sp(sC2H4) !c(sC2H3) = Y(sC2H3) / W_sp(sC2H3) !c(sCH3O) = Y(sCH3O) / W_sp(sCH3O) !c(sHCCO) = Y(sHCCO) / W_sp(sHCCO) c(sCH2CO) = Y(sCH2CO) / W_sp(sCH2CO) !c(sC2H) = Y(sC2H) / W_sp(sC2H) c(sC2H2) = Y(sC2H2) / W_sp(sC2H2) c(sC3H6) = Y(sC3H6) / W_sp(sC3H6) !c(sAXC3H5) = Y(sAXC3H5) / W_sp(sAXC3H5) !c(sCH2CHO) = Y(sCH2CHO) / W_sp(sCH2CHO) !c(sNXC3H7) = Y(sNXC3H7) / W_sp(sNXC3H7) c(sC4H81XC4H8) = Y(sC4H81XC4H8) / W_sp(sC4H81XC4H8) c(sC4H6) = Y(sC4H6) / W_sp(sC4H6) !c(sC4H7) = Y(sC4H7) / W_sp(sC4H7) c(sC5H10) = Y(sC5H10) / W_sp(sC5H10) c(sC6H12) = Y(sC6H12) / W_sp(sC6H12) c(sNXC12H26) = Y(sNXC12H26) / W_sp(sNXC12H26) !c(sN) = Y(sN) / W_sp(sN) c(sNO) = Y(sNO) / W_sp(sNO) !c(sNH) = Y(sNH) / W_sp(sNH) !c(sNCO) = Y(sNCO) / W_sp(sNCO) !c(sNH2) = Y(sNH2) / W_sp(sNH2) !c(sHNCO) = Y(sHNCO) / W_sp(sHNCO) !c(sHNO) = Y(sHNO) / W_sp(sHNO) c(sNO2) = Y(sNO2) / W_sp(sNO2) c(sHCN) = Y(sHCN) / W_sp(sHCN) c(sN2O) = Y(sN2O) / W_sp(sN2O) bla = 0.0_pr DO K = 1, nspec bla = bla + c(K) ENDDO bla = P/(bla*T*8.31451_pr) DO K = 1, nspec c(K) = max(c(K),1.0e-60_pr) * bla ENDDO end subroutine YtoC ! Subroutine for Cp and H computations subroutine compute_thermodata(H,Cp,dH,T) implicit none real(pr), dimension(nspec + nqss) :: H,Cp,dH real(pr) :: T if (T.gt.1000_pr) then H(sN2) = 296.802185947622 * ( T * ((2.92664000e+00_pr) & + T *((0.0007439884_pr) & + T *((-1.89492e-07_pr) & + T *((2.5242595e-11_pr) & + T *((-1.3506702e-15_pr)))))) + (-9.22797700e+02_pr)) Cp(sN2) = 296.802185947622 * ((2.92664000e+00_pr) & + T *((1.48797680e-03_pr) & + T *((-5.68476000e-07_pr) & + T *((1.00970380e-10_pr) & + T *(-6.75335100e-15_pr))))) dH(sN2) = 296.802185947622 * ( (2.92664000e+00_pr) & + T *((1.48797680e-03_pr) & + T *((-5.68476000e-07_pr) & + T *((1.00970380e-10_pr) & + T *((-6.75335100e-15_pr))))) ) H(sH) = 8248.96531539576 * ( T * ((2.50000001e+00_pr) & + T *((-1.154214865e-11_pr) & + T *((5.38539826666667e-15_pr) & + T *((-1.1837880875e-18_pr) & + T *((9.96394714e-23_pr)))))) + (2.54736599e+04_pr)) Cp(sH) = 8248.96531539576 * ((2.50000001e+00_pr) & + T *((-2.30842973e-11_pr) & + T *((1.61561948e-14_pr) & + T *((-4.73515235e-18_pr) & + T *(4.98197357e-22_pr))))) dH(sH) = 8248.96531539576 * ( (2.50000001e+00_pr) & + T *((-2.30842973e-11_pr) & + T *((1.61561948e-14_pr) & + T *((-4.73515235e-18_pr) & + T *((4.98197357e-22_pr))))) ) H(sH2) = 4124.48265769788 * ( T * ((3.33727920e+00_pr) & + T *((-2.470123655e-05_pr) & + T *((1.66485592666667e-07_pr) & + T *((-4.48915985e-11_pr) & + T *((4.00510752e-15_pr)))))) + (-9.50158922e+02_pr)) Cp(sH2) = 4124.48265769788 * ((3.33727920e+00_pr) & + T *((-4.94024731e-05_pr) & + T *((4.99456778e-07_pr) & + T *((-1.79566394e-10_pr) & + T *(2.00255376e-14_pr))))) dH(sH2) = 4124.48265769788 * ( (3.33727920e+00_pr) & + T *((-4.94024731e-05_pr) & + T *((4.99456778e-07_pr) & + T *((-1.79566394e-10_pr) & + T *((2.00255376e-14_pr))))) ) H(sO) = 519.673369001338 * ( T * ((2.56942078e+00_pr) & + T *((-4.298705685e-05_pr) & + T *((1.39828196333333e-08_pr) & + T *((-2.504444975e-12_pr) & + T *((2.45667382e-16_pr)))))) + (2.92175791e+04_pr)) Cp(sO) = 519.673369001338 * ((2.56942078e+00_pr) & + T *((-8.59741137e-05_pr) & + T *((4.19484589e-08_pr) & + T *((-1.00177799e-11_pr) & + T *(1.22833691e-15_pr))))) dH(sO) = 519.673369001338 * ( (2.56942078e+00_pr) & + T *((-8.59741137e-05_pr) & + T *((4.19484589e-08_pr) & + T *((-1.00177799e-11_pr) & + T *((1.22833691e-15_pr))))) ) H(sOH) = 488.874926943308 * ( T * ((2.86472886e+00_pr) & + T *((0.00052825224_pr) & + T *((-8.63609193333333e-08_pr) & + T *((7.63046685e-12_pr) & + T *((-2.66391752e-16_pr)))))) + (3.71885774e+03_pr)) Cp(sOH) = 488.874926943308 * ((2.86472886e+00_pr) & + T *((1.05650448e-03_pr) & + T *((-2.59082758e-07_pr) & + T *((3.05218674e-11_pr) & + T *(-1.33195876e-15_pr))))) dH(sOH) = 488.874926943308 * ( (2.86472886e+00_pr) & + T *((1.05650448e-03_pr) & + T *((-2.59082758e-07_pr) & + T *((3.05218674e-11_pr) & + T *((-1.33195876e-15_pr))))) ) H(sO2) = 259.836684500669 * ( T * ((3.28253784e+00_pr) & + T *((0.00074154377_pr) & + T *((-2.52655556333333e-07_pr) & + T *((5.236763875e-11_pr) & + T *((-4.33435588e-15_pr)))))) + (-1.08845772e+03_pr)) Cp(sO2) = 259.836684500669 * ((3.28253784e+00_pr) & + T *((1.48308754e-03_pr) & + T *((-7.57966669e-07_pr) & + T *((2.09470555e-10_pr) & + T *(-2.16717794e-14_pr))))) dH(sO2) = 259.836684500669 * ( (3.28253784e+00_pr) & + T *((1.48308754e-03_pr) & + T *((-7.57966669e-07_pr) & + T *((2.09470555e-10_pr) & + T *((-2.16717794e-14_pr))))) ) H(sH2O2) = 244.437463471654 * ( T * ((4.16500285e+00_pr) & + T *((0.00245415847_pr) & + T *((-6.33797416666667e-07_pr) & + T *((9.27964965e-11_pr) & + T *((-5.7581661e-15_pr)))))) + (-1.78617877e+04_pr)) Cp(sH2O2) = 244.437463471654 * ((4.16500285e+00_pr) & + T *((4.90831694e-03_pr) & + T *((-1.90139225e-06_pr) & + T *((3.71185986e-10_pr) & + T *(-2.87908305e-14_pr))))) dH(sH2O2) = 244.437463471654 * ( (4.16500285e+00_pr) & + T *((4.90831694e-03_pr) & + T *((-1.90139225e-06_pr) & + T *((3.71185986e-10_pr) & + T *((-2.87908305e-14_pr))))) ) H(sH2O) = 461.522779551581 * ( T * ((3.03399249e+00_pr) & + T *((0.00108845902_pr) & + T *((-5.46908393333333e-08_pr) & + T *((-2.426049675e-11_pr) & + T *((3.36401984e-15_pr)))))) + (-3.00042971e+04_pr)) Cp(sH2O) = 461.522779551581 * ((3.03399249e+00_pr) & + T *((2.17691804e-03_pr) & + T *((-1.64072518e-07_pr) & + T *((-9.70419870e-11_pr) & + T *(1.68200992e-14_pr))))) dH(sH2O) = 461.522779551581 * ( (3.03399249e+00_pr) & + T *((2.17691804e-03_pr) & + T *((-1.64072518e-07_pr) & + T *((-9.70419870e-11_pr) & + T *((1.68200992e-14_pr))))) ) H(sHO2) = 251.901947905185 * ( T * ((4.01721090e+00_pr) & + T *((0.001119910065_pr) & + T *((-2.11219383333333e-07_pr) & + T *((2.85615925e-11_pr) & + T *((-2.1581707e-15_pr)))))) + (1.11856713e+02_pr)) Cp(sHO2) = 251.901947905185 * ((4.01721090e+00_pr) & + T *((2.23982013e-03_pr) & + T *((-6.33658150e-07_pr) & + T *((1.14246370e-10_pr) & + T *(-1.07908535e-14_pr))))) dH(sHO2) = 251.901947905185 * ( (4.01721090e+00_pr) & + T *((2.23982013e-03_pr) & + T *((-6.33658150e-07_pr) & + T *((1.14246370e-10_pr) & + T *((-1.07908535e-14_pr))))) ) H(sCH) = 638.643553161778 * ( T * ((2.87846473e+00_pr) & + T *((0.0004854568405_pr) & + T *((4.81485516666667e-08_pr) & + T *((-3.267196225e-11_pr) & + T *((3.52158766e-15_pr)))))) + (7.10124364e+04_pr)) Cp(sCH) = 638.643553161778 * ((2.87846473e+00_pr) & + T *((9.70913681e-04_pr) & + T *((1.44445655e-07_pr) & + T *((-1.30687849e-10_pr) & + T *(1.76079383e-14_pr))))) dH(sCH) = 638.643553161778 * ( (2.87846473e+00_pr) & + T *((9.70913681e-04_pr) & + T *((1.44445655e-07_pr) & + T *((-1.30687849e-10_pr) & + T *((1.76079383e-14_pr))))) ) H(sCH2) = 592.752066033216 * ( T * ((2.87410113e+00_pr) & + T *((0.00182819646_pr) & + T *((-4.69648656666667e-07_pr) & + T *((6.504488725e-11_pr) & + T *((-3.75455134e-15_pr)))))) + (4.62636040e+04_pr)) Cp(sCH2) = 592.752066033216 * ((2.87410113e+00_pr) & + T *((3.65639292e-03_pr) & + T *((-1.40894597e-06_pr) & + T *((2.60179549e-10_pr) & + T *(-1.87727567e-14_pr))))) dH(sCH2) = 592.752066033216 * ( (2.87410113e+00_pr) & + T *((3.65639292e-03_pr) & + T *((-1.40894597e-06_pr) & + T *((2.60179549e-10_pr) & + T *((-1.87727567e-14_pr))))) ) H(sCO) = 296.83482206609 * ( T * ((2.71518561e+00_pr) & + T *((0.001031263715_pr) & + T *((-3.32941923666667e-07_pr) & + T *((5.7513252e-11_pr) & + T *((-4.07295432e-15_pr)))))) + (-1.41518724e+04_pr)) Cp(sCO) = 296.83482206609 * ((2.71518561e+00_pr) & + T *((2.06252743e-03_pr) & + T *((-9.98825771e-07_pr) & + T *((2.30053008e-10_pr) & + T *(-2.03647716e-14_pr))))) dH(sCO) = 296.83482206609 * ( (2.71518561e+00_pr) & + T *((2.06252743e-03_pr) & + T *((-9.98825771e-07_pr) & + T *((2.30053008e-10_pr) & + T *((-2.03647716e-14_pr))))) ) H(sHCO) = 286.524387680343 * ( T * ((2.77217438e+00_pr) & + T *((0.00247847763_pr) & + T *((-8.28152043333333e-07_pr) & + T *((1.472904445e-10_pr) & + T *((-1.067017422e-14_pr)))))) + (4.01191815e+03_pr)) Cp(sHCO) = 286.524387680343 * ((2.77217438e+00_pr) & + T *((4.95695526e-03_pr) & + T *((-2.48445613e-06_pr) & + T *((5.89161778e-10_pr) & + T *(-5.33508711e-14_pr))))) dH(sHCO) = 286.524387680343 * ( (2.77217438e+00_pr) & + T *((4.95695526e-03_pr) & + T *((-2.48445613e-06_pr) & + T *((5.89161778e-10_pr) & + T *((-5.33508711e-14_pr))))) ) H(sCH2O) = 276.906166864493 * ( T * ((1.76069008e+00_pr) & + T *((0.00460000041_pr) & + T *((-1.47419604333333e-06_pr) & + T *((2.5160303e-10_pr) & + T *((-1.76771128e-14_pr)))))) + (-1.39958323e+04_pr)) Cp(sCH2O) = 276.906166864493 * ((1.76069008e+00_pr) & + T *((9.20000082e-03_pr) & + T *((-4.42258813e-06_pr) & + T *((1.00641212e-09_pr) & + T *(-8.83855640e-14_pr))))) dH(sCH2O) = 276.906166864493 * ( (1.76069008e+00_pr) & + T *((9.20000082e-03_pr) & + T *((-4.42258813e-06_pr) & + T *((1.00641212e-09_pr) & + T *((-8.83855640e-14_pr))))) ) H(sCH3) = 553.013744095373 * ( T * ((2.28571772e+00_pr) & + T *((0.003619950185_pr) & + T *((-9.95714493333333e-07_pr) & + T *((1.48921161e-10_pr) & + T *((-9.34308788e-15_pr)))))) + (1.67755843e+04_pr)) Cp(sCH3) = 553.013744095373 * ((2.28571772e+00_pr) & + T *((7.23990037e-03_pr) & + T *((-2.98714348e-06_pr) & + T *((5.95684644e-10_pr) & + T *(-4.67154394e-14_pr))))) dH(sCH3) = 553.013744095373 * ( (2.28571772e+00_pr) & + T *((7.23990037e-03_pr) & + T *((-2.98714348e-06_pr) & + T *((5.95684644e-10_pr) & + T *((-4.67154394e-14_pr))))) ) H(sCO2) = 188.922969429536 * ( T * ((3.85746029e+00_pr) & + T *((0.00220718513_pr) & + T *((-7.38271346666667e-07_pr) & + T *((1.30872547e-10_pr) & + T *((-9.44168328e-15_pr)))))) + (-4.87591660e+04_pr)) Cp(sCO2) = 188.922969429536 * ((3.85746029e+00_pr) & + T *((4.41437026e-03_pr) & + T *((-2.21481404e-06_pr) & + T *((5.23490188e-10_pr) & + T *(-4.72084164e-14_pr))))) dH(sCO2) = 188.922969429536 * ( (3.85746029e+00_pr) & + T *((4.41437026e-03_pr) & + T *((-2.21481404e-06_pr) & + T *((5.23490188e-10_pr) & + T *((-4.72084164e-14_pr))))) ) H(sCH2DXCH2) = 592.752066033216 * ( T * ((2.29203842e+00_pr) & + T *((0.002327943185_pr) & + T *((-6.70639823333333e-07_pr) & + T *((1.044765e-10_pr) & + T *((-6.7943273e-15_pr)))))) + (5.09259997e+04_pr)) Cp(sCH2DXCH2) = 592.752066033216 * ((2.29203842e+00_pr) & + T *((4.65588637e-03_pr) & + T *((-2.01191947e-06_pr) & + T *((4.17906000e-10_pr) & + T *(-3.39716365e-14_pr))))) dH(sCH2DXCH2) = 592.752066033216 * ( (2.29203842e+00_pr) & + T *((4.65588637e-03_pr) & + T *((-2.01191947e-06_pr) & + T *((4.17906000e-10_pr) & + T *((-3.39716365e-14_pr))))) ) H(sCH4) = 518.268807860992 * ( T * ((7.48514950e-02_pr) & + T *((0.00669547335_pr) & + T *((-1.91095269666667e-06_pr) & + T *((3.057313375e-10_pr) & + T *((-2.0363046e-14_pr)))))) + (-9.46834459e+03_pr)) Cp(sCH4) = 518.268807860992 * ((7.48514950e-02_pr) & + T *((1.33909467e-02_pr) & + T *((-5.73285809e-06_pr) & + T *((1.22292535e-09_pr) & + T *(-1.01815230e-13_pr))))) dH(sCH4) = 518.268807860992 * ( (7.48514950e-02_pr) & + T *((1.33909467e-02_pr) & + T *((-5.73285809e-06_pr) & + T *((1.22292535e-09_pr) & + T *((-1.01815230e-13_pr))))) ) H(sC2H5) = 286.096893849981 * ( T * ((1.95465642e+00_pr) & + T *((0.0086986361_pr) & + T *((-2.66068889333333e-06_pr) & + T *((4.380442225e-10_pr) & + T *((-2.99283152e-14_pr)))))) + (1.28575200e+04_pr)) Cp(sC2H5) = 286.096893849981 * ((1.95465642e+00_pr) & + T *((1.73972722e-02_pr) & + T *((-7.98206668e-06_pr) & + T *((1.75217689e-09_pr) & + T *(-1.49641576e-13_pr))))) dH(sC2H5) = 286.096893849981 * ( (1.95465642e+00_pr) & + T *((1.73972722e-02_pr) & + T *((-7.98206668e-06_pr) & + T *((1.75217689e-09_pr) & + T *((-1.49641576e-13_pr))))) ) H(sC2H6) = 276.506872047687 * ( T * ((1.07188150e+00_pr) & + T *((0.01084263385_pr) & + T *((-3.3418689e-06_pr) & + T *((5.535300025e-10_pr) & + T *((-3.8000578e-14_pr)))))) + (-1.14263932e+04_pr)) Cp(sC2H6) = 276.506872047687 * ((1.07188150e+00_pr) & + T *((2.16852677e-02_pr) & + T *((-1.00256067e-05_pr) & + T *((2.21412001e-09_pr) & + T *(-1.90002890e-13_pr))))) dH(sC2H6) = 276.506872047687 * ( (1.07188150e+00_pr) & + T *((2.16852677e-02_pr) & + T *((-1.00256067e-05_pr) & + T *((2.21412001e-09_pr) & + T *((-1.90002890e-13_pr))))) ) H(sC2H4) = 296.376033016608 * ( T * ((2.03611116e+00_pr) & + T *((0.00732270755_pr) & + T *((-2.23692638333333e-06_pr) & + T *((3.680573075e-10_pr) & + T *((-2.51412122e-14_pr)))))) + (4.93988614e+03_pr)) Cp(sC2H4) = 296.376033016608 * ((2.03611116e+00_pr) & + T *((1.46454151e-02_pr) & + T *((-6.71077915e-06_pr) & + T *((1.47222923e-09_pr) & + T *(-1.25706061e-13_pr))))) dH(sC2H4) = 296.376033016608 * ( (2.03611116e+00_pr) & + T *((1.46454151e-02_pr) & + T *((-6.71077915e-06_pr) & + T *((1.47222923e-09_pr) & + T *((-1.25706061e-13_pr))))) ) H(sC2H3) = 307.421335348679 * ( T * ((3.01672400e+00_pr) & + T *((0.0051651146_pr) & + T *((-1.56027449666667e-06_pr) & + T *((2.5440822e-10_pr) & + T *((-1.725214082e-14_pr)))))) + (3.46128739e+04_pr)) Cp(sC2H3) = 307.421335348679 * ((3.01672400e+00_pr) & + T *((1.03302292e-02_pr) & + T *((-4.68082349e-06_pr) & + T *((1.01763288e-09_pr) & + T *(-8.62607041e-14_pr))))) dH(sC2H3) = 307.421335348679 * ( (3.01672400e+00_pr) & + T *((1.03302292e-02_pr) & + T *((-4.68082349e-06_pr) & + T *((1.01763288e-09_pr) & + T *((-8.62607041e-14_pr))))) ) H(sCH3O) = 267.912713772088 * ( T * ((4.75779238e+00_pr) & + T *((0.00372071237_pr) & + T *((-8.99017253333333e-07_pr) & + T *((1.09522626e-10_pr) & + T *((-5.27074196e-15_pr)))))) + (3.78111940e+02_pr)) Cp(sCH3O) = 267.912713772088 * ((4.75779238e+00_pr) & + T *((7.44142474e-03_pr) & + T *((-2.69705176e-06_pr) & + T *((4.38090504e-10_pr) & + T *(-2.63537098e-14_pr))))) dH(sCH3O) = 267.912713772088 * ( (4.75779238e+00_pr) & + T *((7.44142474e-03_pr) & + T *((-2.69705176e-06_pr) & + T *((4.38090504e-10_pr) & + T *((-2.63537098e-14_pr))))) ) H(sHCCO) = 202.646742550575 * ( T * ((5.62820580e+00_pr) & + T *((0.00204267005_pr) & + T *((-5.31151566666667e-07_pr) & + T *((7.156513e-11_pr) & + T *((-3.8815664e-15_pr)))))) + (1.93272150e+04_pr)) Cp(sHCCO) = 202.646742550575 * ((5.62820580e+00_pr) & + T *((4.08534010e-03_pr) & + T *((-1.59345470e-06_pr) & + T *((2.86260520e-10_pr) & + T *(-1.94078320e-14_pr))))) dH(sHCCO) = 202.646742550575 * ( (5.62820580e+00_pr) & + T *((4.08534010e-03_pr) & + T *((-1.59345470e-06_pr) & + T *((2.86260520e-10_pr) & + T *((-1.94078320e-14_pr))))) ) H(sCH2CO) = 197.787823094168 * ( T * ((4.51129732e+00_pr) & + T *((0.004501798725_pr) & + T *((-1.38979878333333e-06_pr) & + T *((2.308364705e-10_pr) & + T *((-1.589676402e-14_pr)))))) + (-7.77850000e+03_pr)) Cp(sCH2CO) = 197.787823094168 * ((4.51129732e+00_pr) & + T *((9.00359745e-03_pr) & + T *((-4.16939635e-06_pr) & + T *((9.23345882e-10_pr) & + T *(-7.94838201e-14_pr))))) dH(sCH2CO) = 197.787823094168 * ( (4.51129732e+00_pr) & + T *((9.00359745e-03_pr) & + T *((-4.16939635e-06_pr) & + T *((9.23345882e-10_pr) & + T *((-7.94838201e-14_pr))))) ) H(sC2H) = 332.180664436271 * ( T * ((3.16780652e+00_pr) & + T *((0.00237610951_pr) & + T *((-6.1262359e-07_pr) & + T *((7.6047563e-11_pr) & + T *((-3.5446554e-15_pr)))))) + (6.71210650e+04_pr)) Cp(sC2H) = 332.180664436271 * ((3.16780652e+00_pr) & + T *((4.75221902e-03_pr) & + T *((-1.83787077e-06_pr) & + T *((3.04190252e-10_pr) & + T *(-1.77232770e-14_pr))))) dH(sC2H) = 332.180664436271 * ( (3.16780652e+00_pr) & + T *((4.75221902e-03_pr) & + T *((-1.83787077e-06_pr) & + T *((3.04190252e-10_pr) & + T *((-1.77232770e-14_pr))))) ) H(sC2H2) = 319.321776580889 * ( T * ((4.14756964e+00_pr) & + T *((0.00298083332_pr) & + T *((-7.9098284e-07_pr) & + T *((1.1685304275e-10_pr) & + T *((-7.22470426e-15_pr)))))) + (2.59359992e+04_pr)) Cp(sC2H2) = 319.321776580889 * ((4.14756964e+00_pr) & + T *((5.96166664e-03_pr) & + T *((-2.37294852e-06_pr) & + T *((4.67412171e-10_pr) & + T *(-3.61235213e-14_pr))))) dH(sC2H2) = 319.321776580889 * ( (4.14756964e+00_pr) & + T *((5.96166664e-03_pr) & + T *((-2.37294852e-06_pr) & + T *((4.67412171e-10_pr) & + T *((-3.61235213e-14_pr))))) ) H(sC3H6) = 197.584022011072 * ( T * ((6.73225700e+00_pr) & + T *((0.00745417_pr) & + T *((-1.64996633333333e-06_pr) & + T *((1.8030055e-10_pr) & + T *((-7.532408e-15_pr)))))) + (-9.23570300e+02_pr)) Cp(sC3H6) = 197.584022011072 * ((6.73225700e+00_pr) & + T *((1.49083400e-02_pr) & + T *((-4.94989900e-06_pr) & + T *((7.21202200e-10_pr) & + T *(-3.76620400e-14_pr))))) dH(sC3H6) = 197.584022011072 * ( (6.73225700e+00_pr) & + T *((1.49083400e-02_pr) & + T *((-4.94989900e-06_pr) & + T *((7.21202200e-10_pr) & + T *((-3.76620400e-14_pr))))) ) H(sAXC3H5) = 202.432810601689 * ( T * ((6.50078770e+00_pr) & + T *((0.0071623655_pr) & + T *((-1.89272106666667e-06_pr) & + T *((2.77020025e-10_pr) & + T *((-1.80727774e-14_pr)))))) + (1.74824490e+04_pr)) Cp(sAXC3H5) = 202.432810601689 * ((6.50078770e+00_pr) & + T *((1.43247310e-02_pr) & + T *((-5.67816320e-06_pr) & + T *((1.10808010e-09_pr) & + T *(-9.03638870e-14_pr))))) dH(sAXC3H5) = 202.432810601689 * ( (6.50078770e+00_pr) & + T *((1.43247310e-02_pr) & + T *((-5.67816320e-06_pr) & + T *((1.10808010e-09_pr) & + T *((-9.03638870e-14_pr))))) ) H(sCH2CHO) = 193.156455002437 * ( T * ((5.97566990e+00_pr) & + T *((0.0040652957_pr) & + T *((-9.145415e-07_pr) & + T *((1.017576025e-10_pr) & + T *((-4.3520342e-15_pr)))))) + (-9.69500000e+02_pr)) Cp(sCH2CHO) = 193.156455002437 * ((5.97566990e+00_pr) & + T *((8.13059140e-03_pr) & + T *((-2.74362450e-06_pr) & + T *((4.07030410e-10_pr) & + T *(-2.17601710e-14_pr))))) dH(sCH2CHO) = 193.156455002437 * ( (5.97566990e+00_pr) & + T *((8.13059140e-03_pr) & + T *((-2.74362450e-06_pr) & + T *((4.07030410e-10_pr) & + T *((-2.17601710e-14_pr))))) ) H(sNXC3H7) = 192.962081832356 * ( T * ((7.70974790e+00_pr) & + T *((0.0080157425_pr) & + T *((-1.75734126666667e-06_pr) & + T *((1.8972088e-10_pr) & + T *((-7.7725438e-15_pr)))))) + (7.97622360e+03_pr)) Cp(sNXC3H7) = 192.962081832356 * ((7.70974790e+00_pr) & + T *((1.60314850e-02_pr) & + T *((-5.27202380e-06_pr) & + T *((7.58883520e-10_pr) & + T *(-3.88627190e-14_pr))))) dH(sNXC3H7) = 192.962081832356 * ( (7.70974790e+00_pr) & + T *((1.60314850e-02_pr) & + T *((-5.27202380e-06_pr) & + T *((7.58883520e-10_pr) & + T *((-3.88627190e-14_pr))))) ) H(sC4H81XC4H8) = 148.188016508304 * ( T * ((2.05358410e+00_pr) & + T *((0.0171752535_pr) & + T *((-5.294399e-06_pr) & + T *((8.2724155e-10_pr) & + T *((-5.072209e-14_pr)))))) + (-2.13972310e+03_pr)) Cp(sC4H81XC4H8) = 148.188016508304 * ((2.05358410e+00_pr) & + T *((3.43505070e-02_pr) & + T *((-1.58831970e-05_pr) & + T *((3.30896620e-09_pr) & + T *(-2.53610450e-13_pr))))) dH(sC4H81XC4H8) = 148.188016508304 * ( (2.05358410e+00_pr) & + T *((3.43505070e-02_pr) & + T *((-1.58831970e-05_pr) & + T *((3.30896620e-09_pr) & + T *((-2.53610450e-13_pr))))) ) H(sC4H6) = 153.710667674339 * ( T * ((8.86731340e+00_pr) & + T *((0.007459335_pr) & + T *((-1.05162386666667e-06_pr) & + T *((-1.04603325e-10_pr) & + T *((3.1522516e-14_pr)))))) + (9.13385160e+03_pr)) Cp(sC4H6) = 153.710667674339 * ((8.86731340e+00_pr) & + T *((1.49186700e-02_pr) & + T *((-3.15487160e-06_pr) & + T *((-4.18413300e-10_pr) & + T *(1.57612580e-13_pr))))) dH(sC4H6) = 153.710667674339 * ( (8.86731340e+00_pr) & + T *((1.49186700e-02_pr) & + T *((-3.15487160e-06_pr) & + T *((-4.18413300e-10_pr) & + T *((1.57612580e-13_pr))))) ) H(sC4H7) = 150.898828992889 * ( T * ((7.01348350e+00_pr) & + T *((0.011317279_pr) & + T *((-3.084849e-06_pr) & + T *((4.20198175e-10_pr) & + T *((-2.0817234e-14_pr)))))) + (2.09550080e+04_pr)) Cp(sC4H7) = 150.898828992889 * ((7.01348350e+00_pr) & + T *((2.26345580e-02_pr) & + T *((-9.25454700e-06_pr) & + T *((1.68079270e-09_pr) & + T *(-1.04086170e-13_pr))))) dH(sC4H7) = 150.898828992889 * ( (7.01348350e+00_pr) & + T *((2.26345580e-02_pr) & + T *((-9.25454700e-06_pr) & + T *((1.68079270e-09_pr) & + T *((-1.04086170e-13_pr))))) ) H(sC5H10) = 118.550413206643 * ( T * ((3.98580522e+00_pr) & + T *((0.0206214993_pr) & + T *((-6.1463499e-06_pr) & + T *((7.653881025e-10_pr) & + T *((0_pr)))))) + (-5.70112071e+03_pr)) Cp(sC5H10) = 118.550413206643 * ((3.98580522e+00_pr) & + T *((4.12429986e-02_pr) & + T *((-1.84390497e-05_pr) & + T *((3.06155241e-09_pr) & + T *(0.00000000e+00_pr))))) dH(sC5H10) = 118.550413206643 * ( (3.98580522e+00_pr) & + T *((4.12429986e-02_pr) & + T *((-1.84390497e-05_pr) & + T *((3.06155241e-09_pr) & + T *((0.00000000e+00_pr))))) ) H(sC6H12) = 98.792011005536 * ( T * ((4.97075871e+00_pr) & + T *((0.02483186605_pr) & + T *((-7.4315839e-06_pr) & + T *((9.2900545e-10_pr) & + T *((0_pr)))))) + (-8.89572273e+03_pr)) Cp(sC6H12) = 98.792011005536 * ((4.97075871e+00_pr) & + T *((4.96637321e-02_pr) & + T *((-2.22947517e-05_pr) & + T *((3.71602180e-09_pr) & + T *(0.00000000e+00_pr))))) dH(sC6H12) = 98.792011005536 * ( (4.97075871e+00_pr) & + T *((4.96637321e-02_pr) & + T *((-2.22947517e-05_pr) & + T *((3.71602180e-09_pr) & + T *((0.00000000e+00_pr))))) ) H(sNXC12H26) = 48.8114256535401 * ( T * ((9.97283422e+00_pr) & + T *((0.053807648_pr) & + T *((-1.63000417e-05_pr) & + T *((2.0597418575e-09_pr) & + T *((0_pr)))))) + (-4.31954165e+04_pr)) Cp(sNXC12H26) = 48.8114256535401 * ((9.97283422e+00_pr) & + T *((1.07615296e-01_pr) & + T *((-4.89001251e-05_pr) & + T *((8.23896743e-09_pr) & + T *(0.00000000e+00_pr))))) dH(sNXC12H26) = 48.8114256535401 * ( (9.97283422e+00_pr) & + T *((1.07615296e-01_pr) & + T *((-4.89001251e-05_pr) & + T *((8.23896743e-09_pr) & + T *((0.00000000e+00_pr))))) ) H(sN) = 593.604371895245 * ( T * ((2.41594290e+00_pr) & + T *((8.7445325e-05_pr) & + T *((-3.96745633333333e-08_pr) & + T *((7.55656125e-12_pr) & + T *((-4.0721964e-16_pr)))))) + (5.61337730e+04_pr)) Cp(sN) = 593.604371895245 * ((2.41594290e+00_pr) & + T *((1.74890650e-04_pr) & + T *((-1.19023690e-07_pr) & + T *((3.02262450e-11_pr) & + T *(-2.03609820e-15_pr))))) dH(sN) = 593.604371895245 * ( (2.41594290e+00_pr) & + T *((1.74890650e-04_pr) & + T *((-1.19023690e-07_pr) & + T *((3.02262450e-11_pr) & + T *((-2.03609820e-15_pr))))) ) H(sNO) = 277.092025165516 * ( T * ((3.26060560e+00_pr) & + T *((0.00059555215_pr) & + T *((-1.43056826666667e-07_pr) & + T *((1.736441725e-11_pr) & + T *((-8.0672198e-16_pr)))))) + (9.92097460e+03_pr)) Cp(sNO) = 277.092025165516 * ((3.26060560e+00_pr) & + T *((1.19110430e-03_pr) & + T *((-4.29170480e-07_pr) & + T *((6.94576690e-11_pr) & + T *(-4.03360990e-15_pr))))) dH(sNO) = 277.092025165516 * ( (3.26060560e+00_pr) & + T *((1.19110430e-03_pr) & + T *((-4.29170480e-07_pr) & + T *((6.94576690e-11_pr) & + T *((-4.03360990e-15_pr))))) ) H(sNH) = 553.755531253413 * ( T * ((2.78369280e+00_pr) & + T *((0.0006649215_pr) & + T *((-1.4159349e-07_pr) & + T *((1.958712525e-11_pr) & + T *((-1.1008894e-15_pr)))))) + (4.21208480e+04_pr)) Cp(sNH) = 553.755531253413 * ((2.78369280e+00_pr) & + T *((1.32984300e-03_pr) & + T *((-4.24780470e-07_pr) & + T *((7.83485010e-11_pr) & + T *(-5.50444700e-15_pr))))) dH(sNH) = 553.755531253413 * ( (2.78369280e+00_pr) & + T *((1.32984300e-03_pr) & + T *((-4.24780470e-07_pr) & + T *((7.83485010e-11_pr) & + T *((-5.50444700e-15_pr))))) ) H(sNCO) = 197.882628374992 * ( T * ((5.15218450e+00_pr) & + T *((0.00115258805_pr) & + T *((-2.93443843333333e-07_pr) & + T *((3.6972745e-11_pr) & + T *((-1.81955992e-15_pr)))))) + (1.40041230e+04_pr)) Cp(sNCO) = 197.882628374992 * ((5.15218450e+00_pr) & + T *((2.30517610e-03_pr) & + T *((-8.80331530e-07_pr) & + T *((1.47890980e-10_pr) & + T *(-9.09779960e-15_pr))))) dH(sNCO) = 197.882628374992 * ( (5.15218450e+00_pr) & + T *((2.30517610e-03_pr) & + T *((-8.80331530e-07_pr) & + T *((1.47890980e-10_pr) & + T *((-9.09779960e-15_pr))))) ) H(sNH2) = 518.920257735626 * ( T * ((2.83474210e+00_pr) & + T *((0.0016036541_pr) & + T *((-3.1130268e-07_pr) & + T *((3.42573825e-11_pr) & + T *((-1.58412288e-15_pr)))))) + (2.21719570e+04_pr)) Cp(sNH2) = 518.920257735626 * ((2.83474210e+00_pr) & + T *((3.20730820e-03_pr) & + T *((-9.33908040e-07_pr) & + T *((1.37029530e-10_pr) & + T *(-7.92061440e-15_pr))))) dH(sNH2) = 518.920257735626 * ( (2.83474210e+00_pr) & + T *((3.20730820e-03_pr) & + T *((-9.33908040e-07_pr) & + T *((1.37029530e-10_pr) & + T *((-7.92061440e-15_pr))))) ) H(sHNCO) = 193.246871359681 * ( T * ((3.42336176e+00_pr) & + T *((0.0042198838_pr) & + T *((-1.43127320666667e-06_pr) & + T *((1.9623535575e-10_pr) & + T *((0_pr)))))) + (-1.55662337e+04_pr)) Cp(sHNCO) = 193.246871359681 * ((3.42336176e+00_pr) & + T *((8.43976760e-03_pr) & + T *((-4.29381962e-06_pr) & + T *((7.84941423e-10_pr) & + T *(0.00000000e+00_pr))))) dH(sHNCO) = 193.246871359681 * ( (3.42336176e+00_pr) & + T *((8.43976760e-03_pr) & + T *((-4.29381962e-06_pr) & + T *((7.84941423e-10_pr) & + T *((0.00000000e+00_pr))))) ) H(sHNO) = 268.08669159298 * ( T * ((2.97925090e+00_pr) & + T *((0.00174720295_pr) & + T *((-2.61832593333333e-07_pr) & + T *((1.43698985e-11_pr) & + T *((-3.8671832e-17_pr)))))) + (1.17505820e+04_pr)) Cp(sHNO) = 268.08669159298 * ((2.97925090e+00_pr) & + T *((3.49440590e-03_pr) & + T *((-7.85497780e-07_pr) & + T *((5.74795940e-11_pr) & + T *(-1.93359160e-16_pr))))) dH(sHNO) = 268.08669159298 * ( (2.97925090e+00_pr) & + T *((3.49440590e-03_pr) & + T *((-7.85497780e-07_pr) & + T *((5.74795940e-11_pr) & + T *((-1.93359160e-16_pr))))) ) H(sNO2) = 180.727410220595 * ( T * ((4.88475420e+00_pr) & + T *((0.0010861978_pr) & + T *((-2.7602302e-07_pr) & + T *((3.9368775e-11_pr) & + T *((-2.102179e-15_pr)))))) + (2.31649830e+03_pr)) Cp(sNO2) = 180.727410220595 * ((4.88475420e+00_pr) & + T *((2.17239560e-03_pr) & + T *((-8.28069060e-07_pr) & + T *((1.57475100e-10_pr) & + T *(-1.05108950e-14_pr))))) dH(sNO2) = 180.727410220595 * ( (4.88475420e+00_pr) & + T *((2.17239560e-03_pr) & + T *((-8.28069060e-07_pr) & + T *((1.57475100e-10_pr) & + T *((-1.05108950e-14_pr))))) ) H(sHCN) = 307.650430997481 * ( T * ((3.80223920e+00_pr) & + T *((0.0015732114_pr) & + T *((-3.54406166666667e-07_pr) & + T *((4.15493925e-11_pr) & + T *((-1.9599514e-15_pr)))))) + (1.44072920e+04_pr)) Cp(sHCN) = 307.650430997481 * ((3.80223920e+00_pr) & + T *((3.14642280e-03_pr) & + T *((-1.06321850e-06_pr) & + T *((1.66197570e-10_pr) & + T *(-9.79975700e-15_pr))))) dH(sHCN) = 307.650430997481 * ( (3.80223920e+00_pr) & + T *((3.14642280e-03_pr) & + T *((-1.06321850e-06_pr) & + T *((1.66197570e-10_pr) & + T *((-9.79975700e-15_pr))))) ) H(sN2O) = 188.909748691747 * ( T * ((4.82307290e+00_pr) & + T *((0.00131351255_pr) & + T *((-3.19502913333333e-07_pr) & + T *((4.000178e-11_pr) & + T *((-1.95504606e-15_pr)))))) + (8.07340480e+03_pr)) Cp(sN2O) = 188.909748691747 * ((4.82307290e+00_pr) & + T *((2.62702510e-03_pr) & + T *((-9.58508740e-07_pr) & + T *((1.60007120e-10_pr) & + T *(-9.77523030e-15_pr))))) dH(sN2O) = 188.909748691747 * ( (4.82307290e+00_pr) & + T *((2.62702510e-03_pr) & + T *((-9.58508740e-07_pr) & + T *((1.60007120e-10_pr) & + T *((-9.77523030e-15_pr))))) ) else H(sN2) = 296.802185947622 * ( T * ((3.29867700e+00_pr) & + T *((0.0007041202_pr) & + T *((-1.321074e-06_pr) & + T *((1.41037875e-09_pr) & + T *((-4.889708e-13_pr)))))) + (-1.02089990e+03_pr)) Cp(sN2) = 296.802185947622 * ((3.29867700e+00_pr) & + T *((1.40824040e-03_pr) & + T *((-3.96322200e-06_pr) & + T *((5.64151500e-09_pr) & + T *(-2.44485400e-12_pr))))) dH(sN2) = 296.802185947622 * ( (3.29867700e+00_pr) & + T *((1.40824040e-03_pr) & + T *((-3.96322200e-06_pr) & + T *((5.64151500e-09_pr) & + T *((-2.44485400e-12_pr))))) ) H(sH) = 8248.96531539576 * ( T * ((2.50000000e+00_pr) & + T *((3.526664095e-13_pr) & + T *((-6.65306546666667e-16_pr) & + T *((5.7520408e-19_pr) & + T *((-1.855464664e-22_pr)))))) + (2.54736599e+04_pr)) Cp(sH) = 8248.96531539576 * ((2.50000000e+00_pr) & + T *((7.05332819e-13_pr) & + T *((-1.99591964e-15_pr) & + T *((2.30081632e-18_pr) & + T *(-9.27732332e-22_pr))))) dH(sH) = 8248.96531539576 * ( (2.50000000e+00_pr) & + T *((7.05332819e-13_pr) & + T *((-1.99591964e-15_pr) & + T *((2.30081632e-18_pr) & + T *((-9.27732332e-22_pr))))) ) H(sH2) = 4124.48265769788 * ( T * ((2.34433112e+00_pr) & + T *((0.003990260375_pr) & + T *((-6.492717e-06_pr) & + T *((5.03930235e-09_pr) & + T *((-1.475223522e-12_pr)))))) + (-9.17935173e+02_pr)) Cp(sH2) = 4124.48265769788 * ((2.34433112e+00_pr) & + T *((7.98052075e-03_pr) & + T *((-1.94781510e-05_pr) & + T *((2.01572094e-08_pr) & + T *(-7.37611761e-12_pr))))) dH(sH2) = 4124.48265769788 * ( (2.34433112e+00_pr) & + T *((7.98052075e-03_pr) & + T *((-1.94781510e-05_pr) & + T *((2.01572094e-08_pr) & + T *((-7.37611761e-12_pr))))) ) H(sO) = 519.673369001338 * ( T * ((3.16826710e+00_pr) & + T *((-0.00163965942_pr) & + T *((2.21435465333333e-06_pr) & + T *((-1.53201656e-09_pr) & + T *((4.22531942e-13_pr)))))) + (2.91222592e+04_pr)) Cp(sO) = 519.673369001338 * ((3.16826710e+00_pr) & + T *((-3.27931884e-03_pr) & + T *((6.64306396e-06_pr) & + T *((-6.12806624e-09_pr) & + T *(2.11265971e-12_pr))))) dH(sO) = 519.673369001338 * ( (3.16826710e+00_pr) & + T *((-3.27931884e-03_pr) & + T *((6.64306396e-06_pr) & + T *((-6.12806624e-09_pr) & + T *((2.11265971e-12_pr))))) ) H(sOH) = 488.874926943308 * ( T * ((4.12530561e+00_pr) & + T *((-0.001612724695_pr) & + T *((2.17588230333333e-06_pr) & + T *((-1.4496341075e-09_pr) & + T *((4.12474758e-13_pr)))))) + (3.38153812e+03_pr)) Cp(sOH) = 488.874926943308 * ((4.12530561e+00_pr) & + T *((-3.22544939e-03_pr) & + T *((6.52764691e-06_pr) & + T *((-5.79853643e-09_pr) & + T *(2.06237379e-12_pr))))) dH(sOH) = 488.874926943308 * ( (4.12530561e+00_pr) & + T *((-3.22544939e-03_pr) & + T *((6.52764691e-06_pr) & + T *((-5.79853643e-09_pr) & + T *((2.06237379e-12_pr))))) ) H(sO2) = 259.836684500669 * ( T * ((3.78245636e+00_pr) & + T *((-0.00149836708_pr) & + T *((3.28243400333333e-06_pr) & + T *((-2.4203237725e-09_pr) & + T *((6.48745674e-13_pr)))))) + (-1.06394356e+03_pr)) Cp(sO2) = 259.836684500669 * ((3.78245636e+00_pr) & + T *((-2.99673416e-03_pr) & + T *((9.84730201e-06_pr) & + T *((-9.68129509e-09_pr) & + T *(3.24372837e-12_pr))))) dH(sO2) = 259.836684500669 * ( (3.78245636e+00_pr) & + T *((-2.99673416e-03_pr) & + T *((9.84730201e-06_pr) & + T *((-9.68129509e-09_pr) & + T *((3.24372837e-12_pr))))) ) H(sH2O2) = 244.437463471654 * ( T * ((4.27611269e+00_pr) & + T *((-0.0002714112085_pr) & + T *((5.5778567e-06_pr) & + T *((-5.394270325e-09_pr) & + T *((1.724908726e-12_pr)))))) + (-1.77025821e+04_pr)) Cp(sH2O2) = 244.437463471654 * ((4.27611269e+00_pr) & + T *((-5.42822417e-04_pr) & + T *((1.67335701e-05_pr) & + T *((-2.15770813e-08_pr) & + T *(8.62454363e-12_pr))))) dH(sH2O2) = 244.437463471654 * ( (4.27611269e+00_pr) & + T *((-5.42822417e-04_pr) & + T *((1.67335701e-05_pr) & + T *((-2.15770813e-08_pr) & + T *((8.62454363e-12_pr))))) ) H(sH2O) = 461.522779551581 * ( T * ((4.19864056e+00_pr) & + T *((-0.00101821705_pr) & + T *((2.17346737e-06_pr) & + T *((-1.371992655e-09_pr) & + T *((3.54395634e-13_pr)))))) + (-3.02937267e+04_pr)) Cp(sH2O) = 461.522779551581 * ((4.19864056e+00_pr) & + T *((-2.03643410e-03_pr) & + T *((6.52040211e-06_pr) & + T *((-5.48797062e-09_pr) & + T *(1.77197817e-12_pr))))) dH(sH2O) = 461.522779551581 * ( (4.19864056e+00_pr) & + T *((-2.03643410e-03_pr) & + T *((6.52040211e-06_pr) & + T *((-5.48797062e-09_pr) & + T *((1.77197817e-12_pr))))) ) H(sHO2) = 251.901947905185 * ( T * ((4.30179801e+00_pr) & + T *((-0.002374560255_pr) & + T *((7.05276303333333e-06_pr) & + T *((-6.06909735e-09_pr) & + T *((1.858450248e-12_pr)))))) + (2.94808040e+02_pr)) Cp(sHO2) = 251.901947905185 * ((4.30179801e+00_pr) & + T *((-4.74912051e-03_pr) & + T *((2.11582891e-05_pr) & + T *((-2.42763894e-08_pr) & + T *(9.29225124e-12_pr))))) dH(sHO2) = 251.901947905185 * ( (4.30179801e+00_pr) & + T *((-4.74912051e-03_pr) & + T *((2.11582891e-05_pr) & + T *((-2.42763894e-08_pr) & + T *((9.29225124e-12_pr))))) ) H(sCH) = 638.643553161778 * ( T * ((3.48981665e+00_pr) & + T *((0.0001619177705_pr) & + T *((-5.62996883333333e-07_pr) & + T *((7.905433175e-10_pr) & + T *((-2.81218134e-13_pr)))))) + (7.07972934e+04_pr)) Cp(sCH) = 638.643553161778 * ((3.48981665e+00_pr) & + T *((3.23835541e-04_pr) & + T *((-1.68899065e-06_pr) & + T *((3.16217327e-09_pr) & + T *(-1.40609067e-12_pr))))) dH(sCH) = 638.643553161778 * ( (3.48981665e+00_pr) & + T *((3.23835541e-04_pr) & + T *((-1.68899065e-06_pr) & + T *((3.16217327e-09_pr) & + T *((-1.40609067e-12_pr))))) ) H(sCH2) = 592.752066033216 * ( T * ((3.76267867e+00_pr) & + T *((0.0004844360715_pr) & + T *((9.31632803333333e-07_pr) & + T *((-9.627278825e-10_pr) & + T *((3.37483438e-13_pr)))))) + (4.60040401e+04_pr)) Cp(sCH2) = 592.752066033216 * ((3.76267867e+00_pr) & + T *((9.68872143e-04_pr) & + T *((2.79489841e-06_pr) & + T *((-3.85091153e-09_pr) & + T *(1.68741719e-12_pr))))) dH(sCH2) = 592.752066033216 * ( (3.76267867e+00_pr) & + T *((9.68872143e-04_pr) & + T *((2.79489841e-06_pr) & + T *((-3.85091153e-09_pr) & + T *((1.68741719e-12_pr))))) ) H(sCO) = 296.83482206609 * ( T * ((3.57953347e+00_pr) & + T *((-0.00030517684_pr) & + T *((3.3893811e-07_pr) & + T *((2.26751471e-10_pr) & + T *((-1.808848998e-13_pr)))))) + (-1.43440860e+04_pr)) Cp(sCO) = 296.83482206609 * ((3.57953347e+00_pr) & + T *((-6.10353680e-04_pr) & + T *((1.01681433e-06_pr) & + T *((9.07005884e-10_pr) & + T *(-9.04424499e-13_pr))))) dH(sCO) = 296.83482206609 * ( (3.57953347e+00_pr) & + T *((-6.10353680e-04_pr) & + T *((1.01681433e-06_pr) & + T *((9.07005884e-10_pr) & + T *((-9.04424499e-13_pr))))) ) H(sHCO) = 286.524387680343 * ( T * ((4.22118584e+00_pr) & + T *((-0.00162196266_pr) & + T *((4.59331486666667e-06_pr) & + T *((-3.328602325e-09_pr) & + T *((8.6753773e-13_pr)))))) + (3.83956496e+03_pr)) Cp(sHCO) = 286.524387680343 * ((4.22118584e+00_pr) & + T *((-3.24392532e-03_pr) & + T *((1.37799446e-05_pr) & + T *((-1.33144093e-08_pr) & + T *(4.33768865e-12_pr))))) dH(sHCO) = 286.524387680343 * ( (4.22118584e+00_pr) & + T *((-3.24392532e-03_pr) & + T *((1.37799446e-05_pr) & + T *((-1.33144093e-08_pr) & + T *((4.33768865e-12_pr))))) ) H(sCH2O) = 276.906166864493 * ( T * ((4.79372315e+00_pr) & + T *((-0.004954166845_pr) & + T *((1.24406669333333e-05_pr) & + T *((-9.482131525e-09_pr) & + T *((2.63545304e-12_pr)))))) + (-1.43089567e+04_pr)) Cp(sCH2O) = 276.906166864493 * ((4.79372315e+00_pr) & + T *((-9.90833369e-03_pr) & + T *((3.73220008e-05_pr) & + T *((-3.79285261e-08_pr) & + T *(1.31772652e-11_pr))))) dH(sCH2O) = 276.906166864493 * ( (4.79372315e+00_pr) & + T *((-9.90833369e-03_pr) & + T *((3.73220008e-05_pr) & + T *((-3.79285261e-08_pr) & + T *((1.31772652e-11_pr))))) ) H(sCH3) = 553.013744095373 * ( T * ((3.67359040e+00_pr) & + T *((0.001005475875_pr) & + T *((1.91007285333333e-06_pr) & + T *((-1.7177935625e-09_pr) & + T *((5.08771468e-13_pr)))))) + (1.64449988e+04_pr)) Cp(sCH3) = 553.013744095373 * ((3.67359040e+00_pr) & + T *((2.01095175e-03_pr) & + T *((5.73021856e-06_pr) & + T *((-6.87117425e-09_pr) & + T *(2.54385734e-12_pr))))) dH(sCH3) = 553.013744095373 * ( (3.67359040e+00_pr) & + T *((2.01095175e-03_pr) & + T *((5.73021856e-06_pr) & + T *((-6.87117425e-09_pr) & + T *((2.54385734e-12_pr))))) ) H(sCO2) = 188.922969429536 * ( T * ((2.35677352e+00_pr) & + T *((0.004492298385_pr) & + T *((-2.37452089666667e-06_pr) & + T *((6.14797555e-10_pr) & + T *((-2.87399096e-14_pr)))))) + (-4.83719697e+04_pr)) Cp(sCO2) = 188.922969429536 * ((2.35677352e+00_pr) & + T *((8.98459677e-03_pr) & + T *((-7.12356269e-06_pr) & + T *((2.45919022e-09_pr) & + T *(-1.43699548e-13_pr))))) dH(sCO2) = 188.922969429536 * ( (2.35677352e+00_pr) & + T *((8.98459677e-03_pr) & + T *((-7.12356269e-06_pr) & + T *((2.45919022e-09_pr) & + T *((-1.43699548e-13_pr))))) ) H(sCH2DXCH2) = 592.752066033216 * ( T * ((4.19860411e+00_pr) & + T *((-0.001183307095_pr) & + T *((2.74432073333333e-06_pr) & + T *((-1.6720399525e-09_pr) & + T *((3.88629474e-13_pr)))))) + (5.04968163e+04_pr)) Cp(sCH2DXCH2) = 592.752066033216 * ((4.19860411e+00_pr) & + T *((-2.36661419e-03_pr) & + T *((8.23296220e-06_pr) & + T *((-6.68815981e-09_pr) & + T *(1.94314737e-12_pr))))) dH(sCH2DXCH2) = 592.752066033216 * ( (4.19860411e+00_pr) & + T *((-2.36661419e-03_pr) & + T *((8.23296220e-06_pr) & + T *((-6.68815981e-09_pr) & + T *((1.94314737e-12_pr))))) ) H(sCH4) = 518.268807860992 * ( T * ((5.14987613e+00_pr) & + T *((-0.0068354894_pr) & + T *((1.63933533e-05_pr) & + T *((-1.211857565e-08_pr) & + T *((3.33387912e-12_pr)))))) + (-1.02466476e+04_pr)) Cp(sCH4) = 518.268807860992 * ((5.14987613e+00_pr) & + T *((-1.36709788e-02_pr) & + T *((4.91800599e-05_pr) & + T *((-4.84743026e-08_pr) & + T *(1.66693956e-11_pr))))) dH(sCH4) = 518.268807860992 * ( (5.14987613e+00_pr) & + T *((-1.36709788e-02_pr) & + T *((4.91800599e-05_pr) & + T *((-4.84743026e-08_pr) & + T *((1.66693956e-11_pr))))) ) H(sC2H5) = 286.096893849981 * ( T * ((4.30646568e+00_pr) & + T *((-0.00209329446_pr) & + T *((1.65714269e-05_pr) & + T *((-1.497816515e-08_pr) & + T *((4.61018008e-12_pr)))))) + (1.28416265e+04_pr)) Cp(sC2H5) = 286.096893849981 * ((4.30646568e+00_pr) & + T *((-4.18658892e-03_pr) & + T *((4.97142807e-05_pr) & + T *((-5.99126606e-08_pr) & + T *(2.30509004e-11_pr))))) dH(sC2H5) = 286.096893849981 * ( (4.30646568e+00_pr) & + T *((-4.18658892e-03_pr) & + T *((4.97142807e-05_pr) & + T *((-5.99126606e-08_pr) & + T *((2.30509004e-11_pr))))) ) H(sC2H6) = 276.506872047687 * ( T * ((4.29142492e+00_pr) & + T *((-0.00275077135_pr) & + T *((1.99812762666667e-05_pr) & + T *((-1.7711657125e-08_pr) & + T *((5.37371542e-12_pr)))))) + (-1.15222055e+04_pr)) Cp(sC2H6) = 276.506872047687 * ((4.29142492e+00_pr) & + T *((-5.50154270e-03_pr) & + T *((5.99438288e-05_pr) & + T *((-7.08466285e-08_pr) & + T *(2.68685771e-11_pr))))) dH(sC2H6) = 276.506872047687 * ( (4.29142492e+00_pr) & + T *((-5.50154270e-03_pr) & + T *((5.99438288e-05_pr) & + T *((-7.08466285e-08_pr) & + T *((2.68685771e-11_pr))))) ) H(sC2H4) = 296.376033016608 * ( T * ((3.95920148e+00_pr) & + T *((-0.003785261235_pr) & + T *((1.90330097333333e-05_pr) & + T *((-1.7289718825e-08_pr) & + T *((5.39768746e-12_pr)))))) + (5.08977593e+03_pr)) Cp(sC2H4) = 296.376033016608 * ((3.95920148e+00_pr) & + T *((-7.57052247e-03_pr) & + T *((5.70990292e-05_pr) & + T *((-6.91588753e-08_pr) & + T *(2.69884373e-11_pr))))) dH(sC2H4) = 296.376033016608 * ( (3.95920148e+00_pr) & + T *((-7.57052247e-03_pr) & + T *((5.70990292e-05_pr) & + T *((-6.91588753e-08_pr) & + T *((2.69884373e-11_pr))))) ) H(sC2H3) = 307.421335348679 * ( T * ((3.21246645e+00_pr) & + T *((0.00075739581_pr) & + T *((8.64031373333333e-06_pr) & + T *((-8.941446175e-09_pr) & + T *((2.94301746e-12_pr)))))) + (3.48598468e+04_pr)) Cp(sC2H3) = 307.421335348679 * ((3.21246645e+00_pr) & + T *((1.51479162e-03_pr) & + T *((2.59209412e-05_pr) & + T *((-3.57657847e-08_pr) & + T *(1.47150873e-11_pr))))) dH(sC2H3) = 307.421335348679 * ( (3.21246645e+00_pr) & + T *((1.51479162e-03_pr) & + T *((2.59209412e-05_pr) & + T *((-3.57657847e-08_pr) & + T *((1.47150873e-11_pr))))) ) H(sCH3O) = 267.912713772088 * ( T * ((3.71180502e+00_pr) & + T *((-0.00140231653_pr) & + T *((1.25516990333333e-05_pr) & + T *((-1.1826802225e-08_pr) & + T *((3.7317684e-12_pr)))))) + (1.29569760e+03_pr)) Cp(sCH3O) = 267.912713772088 * ((3.71180502e+00_pr) & + T *((-2.80463306e-03_pr) & + T *((3.76550971e-05_pr) & + T *((-4.73072089e-08_pr) & + T *(1.86588420e-11_pr))))) dH(sCH3O) = 267.912713772088 * ( (3.71180502e+00_pr) & + T *((-2.80463306e-03_pr) & + T *((3.76550971e-05_pr) & + T *((-4.73072089e-08_pr) & + T *((1.86588420e-11_pr))))) ) H(sHCCO) = 202.646742550575 * ( T * ((2.25172140e+00_pr) & + T *((0.0088275105_pr) & + T *((-7.90970033333333e-06_pr) & + T *((4.31893975e-09_pr) & + T *((-1.01329622e-12_pr)))))) + (2.00594490e+04_pr)) Cp(sHCCO) = 202.646742550575 * ((2.25172140e+00_pr) & + T *((1.76550210e-02_pr) & + T *((-2.37291010e-05_pr) & + T *((1.72757590e-08_pr) & + T *(-5.06648110e-12_pr))))) dH(sHCCO) = 202.646742550575 * ( (2.25172140e+00_pr) & + T *((1.76550210e-02_pr) & + T *((-2.37291010e-05_pr) & + T *((1.72757590e-08_pr) & + T *((-5.06648110e-12_pr))))) ) H(sCH2CO) = 197.787823094168 * ( T * ((2.13583630e+00_pr) & + T *((0.00905943605_pr) & + T *((-5.79824913333333e-06_pr) & + T *((2.33599392e-09_pr) & + T *((-4.0291523e-13_pr)))))) + (-7.27000000e+03_pr)) Cp(sCH2CO) = 197.787823094168 * ((2.13583630e+00_pr) & + T *((1.81188721e-02_pr) & + T *((-1.73947474e-05_pr) & + T *((9.34397568e-09_pr) & + T *(-2.01457615e-12_pr))))) dH(sCH2CO) = 197.787823094168 * ( (2.13583630e+00_pr) & + T *((1.81188721e-02_pr) & + T *((-1.73947474e-05_pr) & + T *((9.34397568e-09_pr) & + T *((-2.01457615e-12_pr))))) ) H(sC2H) = 332.180664436271 * ( T * ((2.88965733e+00_pr) & + T *((0.00670498055_pr) & + T *((-9.4923167e-06_pr) & + T *((7.369776125e-09_pr) & + T *((-2.18663022e-12_pr)))))) + (6.68393932e+04_pr)) Cp(sC2H) = 332.180664436271 * ((2.88965733e+00_pr) & + T *((1.34099611e-02_pr) & + T *((-2.84769501e-05_pr) & + T *((2.94791045e-08_pr) & + T *(-1.09331511e-11_pr))))) dH(sC2H) = 332.180664436271 * ( (2.88965733e+00_pr) & + T *((1.34099611e-02_pr) & + T *((-2.84769501e-05_pr) & + T *((2.94791045e-08_pr) & + T *((-1.09331511e-11_pr))))) ) H(sC2H2) = 319.321776580889 * ( T * ((8.08681094e-01_pr) & + T *((0.01168078145_pr) & + T *((-1.18390605e-05_pr) & + T *((7.003810925e-09_pr) & + T *((-1.700145948e-12_pr)))))) + (2.64289807e+04_pr)) Cp(sC2H2) = 319.321776580889 * ((8.08681094e-01_pr) & + T *((2.33615629e-02_pr) & + T *((-3.55171815e-05_pr) & + T *((2.80152437e-08_pr) & + T *(-8.50072974e-12_pr))))) dH(sC2H2) = 319.321776580889 * ( (8.08681094e-01_pr) & + T *((2.33615629e-02_pr) & + T *((-3.55171815e-05_pr) & + T *((2.80152437e-08_pr) & + T *((-8.50072974e-12_pr))))) ) H(sC3H6) = 197.584022011072 * ( T * ((1.49330700e+00_pr) & + T *((0.01046259_pr) & + T *((1.495598e-06_pr) & + T *((-4.17228e-09_pr) & + T *((1.4316292e-12_pr)))))) + (1.07482600e+03_pr)) Cp(sC3H6) = 197.584022011072 * ((1.49330700e+00_pr) & + T *((2.09251800e-02_pr) & + T *((4.48679400e-06_pr) & + T *((-1.66891200e-08_pr) & + T *(7.15814600e-12_pr))))) dH(sC3H6) = 197.584022011072 * ( (1.49330700e+00_pr) & + T *((2.09251800e-02_pr) & + T *((4.48679400e-06_pr) & + T *((-1.66891200e-08_pr) & + T *((7.15814600e-12_pr))))) ) H(sAXC3H5) = 202.432810601689 * ( T * ((1.36318350e+00_pr) & + T *((0.0099069105_pr) & + T *((4.16568666666667e-06_pr) & + T *((-8.33888875e-09_pr) & + T *((3.1693142e-12_pr)))))) + (1.92456290e+04_pr)) Cp(sAXC3H5) = 202.432810601689 * ((1.36318350e+00_pr) & + T *((1.98138210e-02_pr) & + T *((1.24970600e-05_pr) & + T *((-3.33555550e-08_pr) & + T *(1.58465710e-11_pr))))) dH(sAXC3H5) = 202.432810601689 * ( (1.36318350e+00_pr) & + T *((1.98138210e-02_pr) & + T *((1.24970600e-05_pr) & + T *((-3.33555550e-08_pr) & + T *((1.58465710e-11_pr))))) ) H(sCH2CHO) = 193.156455002437 * ( T * ((3.40906240e+00_pr) & + T *((0.005369287_pr) & + T *((6.304975e-07_pr) & + T *((-1.789645775e-09_pr) & + T *((5.7347702e-13_pr)))))) + (6.20000000e+01_pr)) Cp(sCH2CHO) = 193.156455002437 * ((3.40906240e+00_pr) & + T *((1.07385740e-02_pr) & + T *((1.89149250e-06_pr) & + T *((-7.15858310e-09_pr) & + T *(2.86738510e-12_pr))))) dH(sCH2CHO) = 193.156455002437 * ( (3.40906240e+00_pr) & + T *((1.07385740e-02_pr) & + T *((1.89149250e-06_pr) & + T *((-7.15858310e-09_pr) & + T *((2.86738510e-12_pr))))) ) H(sNXC3H7) = 192.962081832356 * ( T * ((1.04911730e+00_pr) & + T *((0.0130044865_pr) & + T *((7.84750533333333e-07_pr) & + T *((-4.898783e-09_pr) & + T *((1.87440414e-12_pr)))))) + (1.03123460e+04_pr)) Cp(sNXC3H7) = 192.962081832356 * ((1.04911730e+00_pr) & + T *((2.60089730e-02_pr) & + T *((2.35425160e-06_pr) & + T *((-1.95951320e-08_pr) & + T *(9.37202070e-12_pr))))) dH(sNXC3H7) = 192.962081832356 * ( (1.04911730e+00_pr) & + T *((2.60089730e-02_pr) & + T *((2.35425160e-06_pr) & + T *((-1.95951320e-08_pr) & + T *((9.37202070e-12_pr))))) ) H(sC4H81XC4H8) = 148.188016508304 * ( T * ((1.18113800e+00_pr) & + T *((0.01542669_pr) & + T *((1.69550823333333e-06_pr) & + T *((-6.163722e-09_pr) & + T *((2.2220386e-12_pr)))))) + (-1.79040040e+03_pr)) Cp(sC4H81XC4H8) = 148.188016508304 * ((1.18113800e+00_pr) & + T *((3.08533800e-02_pr) & + T *((5.08652470e-06_pr) & + T *((-2.46548880e-08_pr) & + T *(1.11101930e-11_pr))))) dH(sC4H81XC4H8) = 148.188016508304 * ( (1.18113800e+00_pr) & + T *((3.08533800e-02_pr) & + T *((5.08652470e-06_pr) & + T *((-2.46548880e-08_pr) & + T *((1.11101930e-11_pr))))) ) H(sC4H6) = 153.710667674339 * ( T * ((1.12844650e-01_pr) & + T *((0.017184511_pr) & + T *((-3.702464e-06_pr) & + T *((-2.3026665e-09_pr) & + T *((1.24130358e-12_pr)))))) + (1.18022700e+04_pr)) Cp(sC4H6) = 153.710667674339 * ((1.12844650e-01_pr) & + T *((3.43690220e-02_pr) & + T *((-1.11073920e-05_pr) & + T *((-9.21066600e-09_pr) & + T *(6.20651790e-12_pr))))) dH(sC4H6) = 153.710667674339 * ( (1.12844650e-01_pr) & + T *((3.43690220e-02_pr) & + T *((-1.11073920e-05_pr) & + T *((-9.21066600e-09_pr) & + T *((6.20651790e-12_pr))))) ) H(sC4H7) = 150.898828992889 * ( T * ((7.44494320e-01_pr) & + T *((0.0198394285_pr) & + T *((-7.63269533333333e-06_pr) & + T *((5.33824325e-10_pr) & + T *((4.619275e-13_pr)))))) + (2.26533280e+04_pr)) Cp(sC4H7) = 150.898828992889 * ((7.44494320e-01_pr) & + T *((3.96788570e-02_pr) & + T *((-2.28980860e-05_pr) & + T *((2.13529730e-09_pr) & + T *(2.30963750e-12_pr))))) dH(sC4H7) = 150.898828992889 * ( (7.44494320e-01_pr) & + T *((3.96788570e-02_pr) & + T *((-2.28980860e-05_pr) & + T *((2.13529730e-09_pr) & + T *((2.30963750e-12_pr))))) ) H(sC5H10) = 118.550413206643 * ( T * ((-1.06223481e+00_pr) & + T *((0.0287109147_pr) & + T *((-1.24828963333333e-05_pr) & + T *((3.184124725e-09_pr) & + T *((-3.59219578e-13_pr)))))) + (-4.46546666e+03_pr)) Cp(sC5H10) = 118.550413206643 * ((-1.06223481e+00_pr) & + T *((5.74218294e-02_pr) & + T *((-3.74486890e-05_pr) & + T *((1.27364989e-08_pr) & + T *(-1.79609789e-12_pr))))) dH(sC5H10) = 118.550413206643 * ( (-1.06223481e+00_pr) & + T *((5.74218294e-02_pr) & + T *((-3.74486890e-05_pr) & + T *((1.27364989e-08_pr) & + T *((-1.79609789e-12_pr))))) ) H(sC6H12) = 98.792011005536 * ( T * ((-1.35275205e+00_pr) & + T *((0.0349327713_pr) & + T *((-1.53136007333333e-05_pr) & + T *((3.924183575e-09_pr) & + T *((-4.4259235e-13_pr)))))) + (-7.34368617e+03_pr)) Cp(sC6H12) = 98.792011005536 * ((-1.35275205e+00_pr) & + T *((6.98655426e-02_pr) & + T *((-4.59408022e-05_pr) & + T *((1.56967343e-08_pr) & + T *(-2.21296175e-12_pr))))) dH(sC6H12) = 98.792011005536 * ( (-1.35275205e+00_pr) & + T *((6.98655426e-02_pr) & + T *((-4.59408022e-05_pr) & + T *((1.56967343e-08_pr) & + T *((-2.21296175e-12_pr))))) ) H(sNXC12H26) = 48.8114256535401 * ( T * ((-2.62181594e+00_pr) & + T *((0.0736188555_pr) & + T *((-3.14656757e-05_pr) & + T *((7.6860317e-09_pr) & + T *((-8.0720446e-13_pr)))))) + (-4.00654253e+04_pr)) Cp(sNXC12H26) = 48.8114256535401 * ((-2.62181594e+00_pr) & + T *((1.47237711e-01_pr) & + T *((-9.43970271e-05_pr) & + T *((3.07441268e-08_pr) & + T *(-4.03602230e-12_pr))))) dH(sNXC12H26) = 48.8114256535401 * ( (-2.62181594e+00_pr) & + T *((1.47237711e-01_pr) & + T *((-9.43970271e-05_pr) & + T *((3.07441268e-08_pr) & + T *((-4.03602230e-12_pr))))) ) H(sN) = 593.604371895245 * ( T * ((2.50000000e+00_pr) & + T *((0_pr) & + T *((0_pr) & + T *((0_pr) & + T *((0_pr)))))) + (5.61046370e+04_pr)) Cp(sN) = 593.604371895245 * ((2.50000000e+00_pr) & + T *((0.00000000e+00_pr) & + T *((0.00000000e+00_pr) & + T *((0.00000000e+00_pr) & + T *(0.00000000e+00_pr))))) dH(sN) = 593.604371895245 * ( (2.50000000e+00_pr) & + T *((0.00000000e+00_pr) & + T *((0.00000000e+00_pr) & + T *((0.00000000e+00_pr) & + T *((0.00000000e+00_pr))))) ) H(sNO) = 277.092025165516 * ( T * ((4.21847630e+00_pr) & + T *((-0.002319488_pr) & + T *((3.68034066666667e-06_pr) & + T *((-2.33403385e-09_pr) & + T *((5.607154e-13_pr)))))) + (9.84462300e+03_pr)) Cp(sNO) = 277.092025165516 * ((4.21847630e+00_pr) & + T *((-4.63897600e-03_pr) & + T *((1.10410220e-05_pr) & + T *((-9.33613540e-09_pr) & + T *(2.80357700e-12_pr))))) dH(sNO) = 277.092025165516 * ( (4.21847630e+00_pr) & + T *((-4.63897600e-03_pr) & + T *((1.10410220e-05_pr) & + T *((-9.33613540e-09_pr) & + T *((2.80357700e-12_pr))))) ) H(sNH) = 553.755531253413 * ( T * ((3.49290850e+00_pr) & + T *((0.00015589599_pr) & + T *((-4.96349466666667e-07_pr) & + T *((6.2041105e-10_pr) & + T *((-2.0713934e-13_pr)))))) + (4.18806290e+04_pr)) Cp(sNH) = 553.755531253413 * ((3.49290850e+00_pr) & + T *((3.11791980e-04_pr) & + T *((-1.48904840e-06_pr) & + T *((2.48164420e-09_pr) & + T *(-1.03569670e-12_pr))))) dH(sNH) = 553.755531253413 * ( (3.49290850e+00_pr) & + T *((3.11791980e-04_pr) & + T *((-1.48904840e-06_pr) & + T *((2.48164420e-09_pr) & + T *((-1.03569670e-12_pr))))) ) H(sNCO) = 197.882628374992 * ( T * ((2.82693080e+00_pr) & + T *((0.0044025844_pr) & + T *((-2.7955378e-06_pr) & + T *((1.2004241e-09_pr) & + T *((-2.662719e-13_pr)))))) + (1.46824770e+04_pr)) Cp(sNCO) = 197.882628374992 * ((2.82693080e+00_pr) & + T *((8.80516880e-03_pr) & + T *((-8.38661340e-06_pr) & + T *((4.80169640e-09_pr) & + T *(-1.33135950e-12_pr))))) dH(sNCO) = 197.882628374992 * ( (2.82693080e+00_pr) & + T *((8.80516880e-03_pr) & + T *((-8.38661340e-06_pr) & + T *((4.80169640e-09_pr) & + T *((-1.33135950e-12_pr))))) ) H(sNH2) = 518.920257735626 * ( T * ((4.20400290e+00_pr) & + T *((-0.00105306925_pr) & + T *((2.36894493333333e-06_pr) & + T *((-1.402879925e-09_pr) & + T *((3.2881434e-13_pr)))))) + (2.18859100e+04_pr)) Cp(sNH2) = 518.920257735626 * ((4.20400290e+00_pr) & + T *((-2.10613850e-03_pr) & + T *((7.10683480e-06_pr) & + T *((-5.61151970e-09_pr) & + T *(1.64407170e-12_pr))))) dH(sNH2) = 518.920257735626 * ( (4.20400290e+00_pr) & + T *((-2.10613850e-03_pr) & + T *((7.10683480e-06_pr) & + T *((-5.61151970e-09_pr) & + T *((1.64407170e-12_pr))))) ) H(sHNCO) = 193.246871359681 * ( T * ((3.63096317e+00_pr) & + T *((0.003651411785_pr) & + T *((-7.60166676666667e-07_pr) & + T *((-1.653178245e-10_pr) & + T *((7.24471504e-14_pr)))))) + (-1.55873636e+04_pr)) Cp(sHNCO) = 193.246871359681 * ((3.63096317e+00_pr) & + T *((7.30282357e-03_pr) & + T *((-2.28050003e-06_pr) & + T *((-6.61271298e-10_pr) & + T *(3.62235752e-13_pr))))) dH(sHNCO) = 193.246871359681 * ( (3.63096317e+00_pr) & + T *((7.30282357e-03_pr) & + T *((-2.28050003e-06_pr) & + T *((-6.61271298e-10_pr) & + T *((3.62235752e-13_pr))))) ) H(sHNO) = 268.08669159298 * ( T * ((4.53349160e+00_pr) & + T *((-0.00283480855_pr) & + T *((6.15773566666667e-06_pr) & + T *((-4.2842735e-09_pr) & + T *((1.10909146e-12_pr)))))) + (1.15482970e+04_pr)) Cp(sHNO) = 268.08669159298 * ((4.53349160e+00_pr) & + T *((-5.66961710e-03_pr) & + T *((1.84732070e-05_pr) & + T *((-1.71370940e-08_pr) & + T *(5.54545730e-12_pr))))) dH(sHNO) = 268.08669159298 * ( (4.53349160e+00_pr) & + T *((-5.66961710e-03_pr) & + T *((1.84732070e-05_pr) & + T *((-1.71370940e-08_pr) & + T *((5.54545730e-12_pr))))) ) H(sNO2) = 180.727410220595 * ( T * ((3.94403120e+00_pr) & + T *((-0.0007927145_pr) & + T *((5.552604e-06_pr) & + T *((-5.1188565e-09_pr) & + T *((1.56701128e-12_pr)))))) + (2.89661790e+03_pr)) Cp(sNO2) = 180.727410220595 * ((3.94403120e+00_pr) & + T *((-1.58542900e-03_pr) & + T *((1.66578120e-05_pr) & + T *((-2.04754260e-08_pr) & + T *(7.83505640e-12_pr))))) dH(sNO2) = 180.727410220595 * ( (3.94403120e+00_pr) & + T *((-1.58542900e-03_pr) & + T *((1.66578120e-05_pr) & + T *((-2.04754260e-08_pr) & + T *((7.83505640e-12_pr))))) ) H(sHCN) = 307.650430997481 * ( T * ((2.25898860e+00_pr) & + T *((0.005025585_pr) & + T *((-4.45058766666667e-06_pr) & + T *((2.52308725e-09_pr) & + T *((-6.0178056e-13_pr)))))) + (1.47126330e+04_pr)) Cp(sHCN) = 307.650430997481 * ((2.25898860e+00_pr) & + T *((1.00511700e-02_pr) & + T *((-1.33517630e-05_pr) & + T *((1.00923490e-08_pr) & + T *(-3.00890280e-12_pr))))) dH(sHCN) = 307.650430997481 * ( (2.25898860e+00_pr) & + T *((1.00511700e-02_pr) & + T *((-1.33517630e-05_pr) & + T *((1.00923490e-08_pr) & + T *((-3.00890280e-12_pr))))) ) H(sN2O) = 188.909748691747 * ( T * ((2.25715020e+00_pr) & + T *((0.005652364_pr) & + T *((-4.55710633333333e-06_pr) & + T *((2.42049515e-09_pr) & + T *((-5.8614364e-13_pr)))))) + (8.74177440e+03_pr)) Cp(sN2O) = 188.909748691747 * ((2.25715020e+00_pr) & + T *((1.13047280e-02_pr) & + T *((-1.36713190e-05_pr) & + T *((9.68198060e-09_pr) & + T *(-2.93071820e-12_pr))))) dH(sN2O) = 188.909748691747 * ( (2.25715020e+00_pr) & + T *((1.13047280e-02_pr) & + T *((-1.36713190e-05_pr) & + T *((9.68198060e-09_pr) & + T *((-2.93071820e-12_pr))))) ) end if end subroutine compute_thermodata ! --- Thirdbodies --- ! subroutine get_thirdbodies(M,c) implicit none real(pr), dimension(nspec) :: c real(pr), dimension(38) :: M M(mM43) = (2_pr)*c(sC2H6) & + (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (1_pr)*c(sCH4) & + (0.5_pr)*c(sCO) & + (5_pr)*c(sH2O) & + sum(c) M(mM47) = (1_pr)*c(sCH4) & + (0.5_pr)*c(sCO) & + (5_pr)*c(sH2O) & + (1_pr)*c(sH2) & + (2_pr)*c(sC2H6) & + (1_pr)*c(sCO2) & + sum(c) M(mM81) = sum(c) M(mM9) = & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (2_pr)*c(sC2H6) & + (1_pr)*c(sH2) & + sum(c) M(mM76) = (11_pr)*c(sH2O) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sCO2) & + (0.4_pr)*c(sO2) & + (0.7_pr)*c(sN2) & + sum(c) M(mM6) = (2.6_pr)*c(sCO2) & + (1_pr)*c(sH2) & + (5_pr)*c(sH2O) & + (0.75_pr)*c(sCO) & + sum(c) M(mM7) = (1_pr)*c(sH2) & + (2.6_pr)*c(sCO2) & + (0.75_pr)*c(sCO) & + (11_pr)*c(sH2O) & + sum(c) M(mM78) = sum(c) M(mM36) = (2_pr)*c(sC2H6) & + (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (1_pr)*c(sCH4) & + (0.5_pr)*c(sCO) & + (5_pr)*c(sH2O) & + sum(c) M(mM22) = & + (1_pr)*c(sCO2) & + (2_pr)*c(sC2H6) & + (1_pr)*c(sH2) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + (0.5_pr)*c(sCO) & + sum(c) M(mM69) = (2_pr)*c(sCO) & + (9_pr)*c(sH2O) & + (1_pr)*c(sH2) & + (0.5_pr)*c(sO2) & + (-1_pr)*c(sN2) & + sum(c) M(mM28) = (1_pr)*c(sCO2) & + (1_pr)*c(sH2) & + (2_pr)*c(sC2H6) & + (2_pr)*c(sC2H2) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H4) & + sum(c) M(mM29) = (5_pr)*c(sH2O) & + (2_pr)*c(sC2H2) & + (0.5_pr)*c(sCO) & + (1_pr)*c(sCH4) & + (1_pr)*c(sCO2) & + (2_pr)*c(sC2H6) & + (1_pr)*c(sH2) & + (2_pr)*c(sC2H4) & + sum(c) M(mM16) = (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (2_pr)*c(sC2H6) & + (1_pr)*c(sH2) & + sum(c) M(mM11) = (2_pr)*c(sC2H6) & + (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (1_pr)*c(sCH4) & + (0.5_pr)*c(sCO) & + (5_pr)*c(sH2O) & + sum(c) M(mM70) = (0.5_pr)*c(sO2) & + (9_pr)*c(sH2O) & + (0.7_pr)*c(sN2) & + sum(c) M(mM17) = (1_pr)*c(sCO2) & + (2_pr)*c(sC2H6) & + (1_pr)*c(sH2) & + (5_pr)*c(sH2O) & + (0.5_pr)*c(sCO) & + (1_pr)*c(sCH4) & + sum(c) M(mM10) = & + (2_pr)*c(sC2H6) & + (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (1_pr)*c(sCH4) & + (5_pr)*c(sH2O) & + sum(c) M(mM1) = & + (-1_pr)*c(sH2O) & + (-1_pr)*c(sH2) & + (-1_pr)*c(sCO2) & + sum(c) M(mM2) = (1_pr)*c(sH2) & + (2.6_pr)*c(sCO2) & + (0.75_pr)*c(sCO) & + (5.3_pr)*c(sH2O) & + sum(c) M(mM3) = (11_pr)*c(sH2O) & + (0.75_pr)*c(sCO) & + (2.6_pr)*c(sCO2) & + (1_pr)*c(sH2) & + sum(c) M(mM13) = (1_pr)*c(sCO2) & + (2_pr)*c(sC2H6) & + (1_pr)*c(sH2) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + (0.5_pr)*c(sCO) & + sum(c) M(mM24) = (2_pr)*c(sC2H4) & + (2_pr)*c(sC2H6) & + (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (1_pr)*c(sCH4) & + (5_pr)*c(sH2O) & + (2_pr)*c(sC2H2) & + sum(c) M(mM79) = sum(c) M(mM68) = (9_pr)*c(sH2O) & + (2_pr)*c(sCO) & + (0.5_pr)*c(sO2) & + (1_pr)*c(sH2) & + (-1_pr)*c(sN2) & + sum(c) M(mM30) = (5_pr)*c(sH2O) & + (0.5_pr)*c(sCO) & + (1_pr)*c(sCH4) & + (1_pr)*c(sCO2) & + (1_pr)*c(sH2) & + (2_pr)*c(sC2H6) & + (2_pr)*c(sC2H4) & + sum(c) M(mM5) = & + (0.0900000000000001_pr)*c(sCO) & + (10.89_pr)*c(sH2O) & + (1.18_pr)*c(sCO2) & + (-0.15_pr)*c(sO2) & + sum(c) M(mM42) = & + (2_pr)*c(sC2H6) & + (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (1_pr)*c(sCH4) & + (5_pr)*c(sH2O) & + sum(c) M(mM12) = (1_pr)*c(sH2) & + (2_pr)*c(sC2H6) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (1_pr)*c(sCH4) & + (5_pr)*c(sH2O) & + sum(c) M(mM71) = (9_pr)*c(sH2O) & + (0.5_pr)*c(sO2) & + (0.7_pr)*c(sN2) & + sum(c) M(mM80) = sum(c) M(mM77) = (2_pr)*c(sCO2) & + (0.4_pr)*c(sO2) & + (11_pr)*c(sH2O) & + (0.5_pr)*c(sCO) & + (0.7_pr)*c(sN2) & + sum(c) M(mM41) = (1_pr)*c(sH2) & + (2_pr)*c(sC2H6) & + (1_pr)*c(sCO2) & + (1_pr)*c(sCH4) & + (0.5_pr)*c(sCO) & + (5_pr)*c(sH2O) & + sum(c) M(mM37) = (5_pr)*c(sH2O) & + (0.5_pr)*c(sCO) & + (1_pr)*c(sCH4) & + (1_pr)*c(sCO2) & + (2_pr)*c(sC2H6) & + (1_pr)*c(sH2) & + sum(c) M(mM19) = & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + (0.5_pr)*c(sCO) & + (1_pr)*c(sCO2) & + (1_pr)*c(sH2) & + (2_pr)*c(sC2H6) & + sum(c) M(mM8) = (2.6_pr)*c(sCO2) & + (1_pr)*c(sH2) & + (0.75_pr)*c(sCO) & + (-1_pr)*c(sH2O) & + sum(c) M(mM4) = (2.6_pr)*c(sCO2) & + (1.4_pr)*c(sH2) & + (14.4_pr)*c(sH2O) & + (0.75_pr)*c(sCO) & + sum(c) end subroutine get_thirdbodies ! --- Rate coefficients --- ! subroutine get_rate_coefficients(k,M,Tloc,Ploc) implicit none real(pr), dimension(nreac) :: k real(pr), dimension(38) :: M real(pr) :: Tloc,Ploc real(pr) :: k5f_0, k5f_inf, FC5f real(pr) :: k11f_0, k11f_inf, FC11f real(pr) :: k38_0, k38_inf, FC38 real(pr) :: k50f_0, k50f_inf, FC50f real(pr) :: k55f_0, k55f_inf, FC55f real(pr) :: k71f_0, k71f_inf, FC71f real(pr) :: k73f_0, k73f_inf, FC73f real(pr) :: k74f_0, k74f_inf, FC74f real(pr) :: k81f_0, k81f_inf, FC81f real(pr) :: k91f_0, k91f_inf, FC91f real(pr) :: k95_0, k95_inf, FC95 real(pr) :: k107_0, k107_inf, FC107 real(pr) :: k118f_0, k118f_inf, FC118f real(pr) :: k124f_0, k124f_inf, FC124f real(pr) :: k131f_0, k131f_inf, FC131f real(pr) :: k141f_0, k141f_inf, FC141f real(pr) :: k148f_0, k148f_inf, FC148f real(pr) :: k169f_0, k169f_inf, FC169f real(pr) :: k180f_0, k180f_inf, FC180f real(pr) :: k181f_0, k181f_inf, FC181f real(pr) :: k184f_0, k184f_inf, FC184f real(pr) :: k209_0, k209_inf, FC209 real(pr) :: k5b_0, k5b_inf, FC5b real(pr) :: k11b_0, k11b_inf, FC11b real(pr) :: k50b_0, k50b_inf, FC50b real(pr) :: k55b_0, k55b_inf, FC55b real(pr) :: k71b_0, k71b_inf, FC71b real(pr) :: k73b_0, k73b_inf, FC73b real(pr) :: k74b_0, k74b_inf, FC74b real(pr) :: k81b_0, k81b_inf, FC81b real(pr) :: k91b_0, k91b_inf, FC91b real(pr) :: k118b_0, k118b_inf, FC118b real(pr) :: k124b_0, k124b_inf, FC124b real(pr) :: k131b_0, k131b_inf, FC131b real(pr) :: k141b_0, k141b_inf, FC141b real(pr) :: k148b_0, k148b_inf, FC148b real(pr) :: k169b_0, k169b_inf, FC169b real(pr) :: k180b_0, k180b_inf, FC180b real(pr) :: k181b_0, k181b_inf, FC181b real(pr) :: k184b_0, k184b_inf, FC184b ! Rate coefficients k(r1) = (1.78000000e+06_pr)*Tloc**(-1.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r2f) = (9.42800000e+06_pr)*Tloc**(-1.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r3) = (1.20000000e+05_pr)*Tloc**(-1.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r4f) = (4.58900000e-02_pr)*Tloc**(2.700_pr)*& exp(-(2.619e+04_pr)/(8.314_pr*Tloc)) k5f_0 = (2.01000000e+05_pr)*Tloc**(-0.584_pr)*& exp(-(-9.594e+03_pr)/(8.314_pr*Tloc)) k5f_inf = (1.11000000e+08_pr)*Tloc**(-0.370_pr)* & exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) FC5f = (2.654e-01_pr)* & exp(-Tloc/(9.400e+01_pr)) + (7.346e-01_pr)* & exp(-Tloc/(1.756e+03_pr)) + (1.000e+00_pr)* & exp(-(5.182e+03_pr)/Tloc) k(r5f) = & getlindratecoeff & (Tloc, k5f_0, k5f_inf, FC5f, M(mM6), Ploc ) k(r6f) = (1.73400000e+02_pr)*Tloc**(1.510_pr)*& exp(-(1.435e+04_pr)/(8.314_pr*Tloc)) k(r7f) = (4.40000000e+10_pr)*Tloc**(-2.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r8f) = (3.97300000e-02_pr)*Tloc**(2.400_pr)*& exp(-(-8.828e+03_pr)/(8.314_pr*Tloc)) k(r9) = (5.62400000e+07_pr)*Tloc**(-1.250_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r10f) = (2.64400000e+10_pr)*Tloc**(-0.671_pr)*& exp(-(7.130e+04_pr)/(8.314_pr*Tloc)) k11f_0 = (6.32800000e+07_pr)*Tloc**(-1.400_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k11f_inf = (5.11600000e+06_pr)*Tloc**(0.440_pr)* & exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) FC11f = (5.000e-01_pr)* & exp(-Tloc/(1.000e-30_pr)) + (5.000e-01_pr)* & exp(-Tloc/(1.000e+30_pr)) + (0.000e+00_pr)* & exp(-(0.000e+00_pr)/Tloc) k(r11f) = & getlindratecoeff & (Tloc, k11f_0, k11f_inf, FC11f, M(mM5), Ploc ) k(r12f) = (5.91600000e-01_pr)*Tloc**(2.433_pr)*& exp(-(2.239e+05_pr)/(8.314_pr*Tloc)) k(r13f) = (7.48500000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.234e+03_pr)/(8.314_pr*Tloc)) k(r14f) = (2.51000000e+06_pr)*Tloc**(2.000_pr)*& exp(-(1.674e+05_pr)/(8.314_pr*Tloc)) k(r15f) = (1.41000000e+12_pr)*Tloc**(-1.760_pr)*& exp(-(2.510e+02_pr)/(8.314_pr*Tloc)) k(r16f) = (4.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r17f) = (5.37000000e+64_pr)*Tloc**(-16.720_pr)*& exp(-(1.377e+05_pr)/(8.314_pr*Tloc)) k(r18) = (1.12000000e+79_pr)*Tloc**(-22.300_pr)*& exp(-(1.126e+05_pr)/(8.314_pr*Tloc)) k(r19) = (3.97000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(2.807e+03_pr)/(8.314_pr*Tloc)) k(r20f) = (3.65800000e+08_pr)*Tloc**(0.000_pr)*& exp(-(5.021e+04_pr)/(8.314_pr*Tloc)) k(r21) = (1.30000000e+05_pr)*Tloc**(0.000_pr)*& exp(-(-6.820e+03_pr)/(8.314_pr*Tloc)) k(r22f) = (6.05000000e+00_pr)*Tloc**(2.000_pr)*& exp(-(2.176e+04_pr)/(8.314_pr*Tloc)) k(r23) = (9.63000000e+00_pr)*Tloc**(2.000_pr)*& exp(-(1.661e+04_pr)/(8.314_pr*Tloc)) k(r24f) = (2.67000000e+35_pr)*Tloc**(-7.000_pr)*& exp(-(1.573e+05_pr)/(8.314_pr*Tloc)) k(r25) = (2.41000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.661e+04_pr)/(8.314_pr*Tloc)) k(r26f) = (2.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(1.787e+03_pr)/(8.314_pr*Tloc)) k(r27f) = (1.10700000e+02_pr)*Tloc**(1.790_pr)*& exp(-(6.987e+03_pr)/(8.314_pr*Tloc)) k(r28) = (5.70000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r29) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r30) = (3.30000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r31) = (5.71000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(-3.159e+03_pr)/(8.314_pr*Tloc)) k(r32f) = (5.00000000e-01_pr)*Tloc**(2.000_pr)*& exp(-(3.025e+04_pr)/(8.314_pr*Tloc)) k(r34) = (8.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r35) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r37) = (1.06000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(6.276e+03_pr)/(8.314_pr*Tloc)) k38_0 = (3.20000000e+15_pr)*Tloc**(-3.140_pr)*& exp(-(5.146e+03_pr)/(8.314_pr*Tloc)) k38_inf = (2.50000000e+10_pr)*Tloc**(-0.800_pr)* & exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) FC38 = (3.200e-01_pr)* & exp(-Tloc/(7.800e+01_pr)) + (6.800e-01_pr)* & exp(-Tloc/(1.995e+03_pr)) + (1.000e+00_pr)* & exp(-(5.590e+03_pr)/Tloc) k(r38) = & getlindratecoeff & (Tloc, k38_0, k38_inf, FC38, M(mM12), Ploc ) k(r39f) = (1.13000000e+01_pr)*Tloc**(2.000_pr)*& exp(-(1.255e+04_pr)/(8.314_pr*Tloc)) k(r40) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r41) = (2.64000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(6.276e+03_pr)/(8.314_pr*Tloc)) k(r42) = (1.50000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r43) = (1.20000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r44) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r45f) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r46) = (2.80000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r47) = (1.50000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r48f) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r49f) = (7.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k50f_0 = (2.47700000e+21_pr)*Tloc**(-4.760_pr)*& exp(-(1.021e+04_pr)/(8.314_pr*Tloc)) k50f_inf = (1.27000000e+10_pr)*Tloc**(-0.630_pr)* & exp(-(1.602e+03_pr)/(8.314_pr*Tloc)) FC50f = (2.170e-01_pr)* & exp(-Tloc/(7.400e+01_pr)) + (7.830e-01_pr)* & exp(-Tloc/(2.941e+03_pr)) + (1.000e+00_pr)* & exp(-(6.964e+03_pr)/Tloc) k(r50f) = & getlindratecoeff & (Tloc, k50f_0, k50f_inf, FC50f, M(mM17), Ploc ) k(r51f) = (5.60000000e+01_pr)*Tloc**(1.600_pr)*& exp(-(2.268e+04_pr)/(8.314_pr*Tloc)) k(r52) = (3.60000000e+04_pr)*Tloc**(0.000_pr)*& exp(-(3.740e+04_pr)/(8.314_pr*Tloc)) k(r53f) = (2.50100000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r54f) = (4.99000000e+06_pr)*Tloc**(0.100_pr)*& exp(-(4.435e+04_pr)/(8.314_pr*Tloc)) k55f_0 = (1.77000000e+38_pr)*Tloc**(-9.670_pr)*& exp(-(2.602e+04_pr)/(8.314_pr*Tloc)) k55f_inf = (2.12000000e+10_pr)*Tloc**(-0.970_pr)* & exp(-(2.594e+03_pr)/(8.314_pr*Tloc)) FC55f = (4.675e-01_pr)* & exp(-Tloc/(1.510e+02_pr)) + (5.325e-01_pr)* & exp(-Tloc/(1.038e+03_pr)) + (1.000e+00_pr)* & exp(-(4.970e+03_pr)/Tloc) k(r55f) = & getlindratecoeff & (Tloc, k55f_0, k55f_inf, FC55f, M(mM19), Ploc ) k(r56) = (4.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r57) = (1.20000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(-2.385e+03_pr)/(8.314_pr*Tloc)) k(r58) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r59) = (1.34000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r60f) = (2.45000000e-02_pr)*Tloc**(2.470_pr)*& exp(-(2.167e+04_pr)/(8.314_pr*Tloc)) k(r61) = (1.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r62) = (8.43000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r63f) = (3.08300000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.205e+05_pr)/(8.314_pr*Tloc)) k(r64f) = (1.00000000e+02_pr)*Tloc**(1.600_pr)*& exp(-(1.305e+04_pr)/(8.314_pr*Tloc)) k(r65f) = (1.60000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(-2.385e+03_pr)/(8.314_pr*Tloc)) k(r66) = (6.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r67f) = (1.02000000e+03_pr)*Tloc**(1.500_pr)*& exp(-(3.598e+04_pr)/(8.314_pr*Tloc)) k(r68f) = (6.60000000e+02_pr)*Tloc**(1.620_pr)*& exp(-(4.536e+04_pr)/(8.314_pr*Tloc)) k(r69f) = (2.46000000e+00_pr)*Tloc**(2.000_pr)*& exp(-(3.460e+04_pr)/(8.314_pr*Tloc)) k(r70f) = (9.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k71f_0 = (2.69000000e+16_pr)*Tloc**(-3.740_pr)*& exp(-(8.100e+03_pr)/(8.314_pr*Tloc)) k71f_inf = (5.00000000e+07_pr)*Tloc**(0.000_pr)* & exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) FC71f = (4.243e-01_pr)* & exp(-Tloc/(2.370e+02_pr)) + (5.757e-01_pr)* & exp(-Tloc/(1.652e+03_pr)) + (1.000e+00_pr)* & exp(-(5.069e+03_pr)/Tloc) k(r71f) = & getlindratecoeff & (Tloc, k71f_0, k71f_inf, FC71f, M(mM10), Ploc ) k(r72f) = (5.75700000e+06_pr)*Tloc**(-0.664_pr)*& exp(-(1.388e+03_pr)/(8.314_pr*Tloc)) k73f_0 = (1.17300000e+12_pr)*Tloc**(-2.790_pr)*& exp(-(1.754e+04_pr)/(8.314_pr*Tloc)) k73f_inf = (1.36200000e+04_pr)*Tloc**(0.000_pr)* & exp(-(9.975e+03_pr)/(8.314_pr*Tloc)) FC73f = + (1.000e+00_pr)* & exp(-(0.000e+00_pr)/Tloc) k(r73f) = & getlindratecoeff & (Tloc, k73f_0, k73f_inf, FC73f, M(mM7), Ploc ) k74f_0 = (2.69000000e+21_pr)*Tloc**(-5.110_pr)*& exp(-(2.968e+04_pr)/(8.314_pr*Tloc)) k74f_inf = (8.10000000e+05_pr)*Tloc**(0.500_pr)* & exp(-(1.887e+04_pr)/(8.314_pr*Tloc)) FC74f = (4.093e-01_pr)* & exp(-Tloc/(2.750e+02_pr)) + (5.907e-01_pr)* & exp(-Tloc/(1.226e+03_pr)) + (1.000e+00_pr)* & exp(-(5.185e+03_pr)/Tloc) k(r74f) = & getlindratecoeff & (Tloc, k74f_0, k74f_inf, FC74f, M(mM13), Ploc ) k(r75f) = (1.11900000e+06_pr)*Tloc**(0.000_pr)*& exp(-(1.996e+05_pr)/(8.314_pr*Tloc)) k(r76f) = (7.04600000e-02_pr)*Tloc**(2.053_pr)*& exp(-(-1.488e+03_pr)/(8.314_pr*Tloc)) k(r77) = (1.57000000e-01_pr)*Tloc**(2.180_pr)*& exp(-(7.507e+04_pr)/(8.314_pr*Tloc)) k(r78) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r79) = (1.20400000e+04_pr)*Tloc**(0.807_pr)*& exp(-(-3.042e+03_pr)/(8.314_pr*Tloc)) k(r80f) = (1.87000000e+11_pr)*Tloc**(-1.000_pr)*& exp(-(7.113e+04_pr)/(8.314_pr*Tloc)) k81f_0 = (1.35000000e+12_pr)*Tloc**(-2.570_pr)*& exp(-(5.962e+03_pr)/(8.314_pr*Tloc)) k81f_inf = (1.09000000e+06_pr)*Tloc**(0.480_pr)* & exp(-(-1.088e+03_pr)/(8.314_pr*Tloc)) FC81f = (2.176e-01_pr)* & exp(-Tloc/(2.710e+02_pr)) + (7.824e-01_pr)* & exp(-Tloc/(2.755e+03_pr)) + (1.000e+00_pr)* & exp(-(6.570e+03_pr)/Tloc) k(r81f) = & getlindratecoeff & (Tloc, k81f_0, k81f_inf, FC81f, M(mM11), Ploc ) k(r82) = (3.02000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r83) = (8.48000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r84f) = (2.24400000e+12_pr)*Tloc**(-1.000_pr)*& exp(-(7.113e+04_pr)/(8.314_pr*Tloc)) k(r85) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r86f) = (1.20000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r87) = (9.46000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(-2.155e+03_pr)/(8.314_pr*Tloc)) k(r88f) = (2.30000000e+04_pr)*Tloc**(1.050_pr)*& exp(-(1.370e+04_pr)/(8.314_pr*Tloc)) k(r89f) = (1.00000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(1.674e+05_pr)/(8.314_pr*Tloc)) k(r90) = (3.90000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.481e+04_pr)/(8.314_pr*Tloc)) k91f_0 = (2.20000000e+18_pr)*Tloc**(-4.800_pr)*& exp(-(2.326e+04_pr)/(8.314_pr*Tloc)) k91f_inf = (5.40000000e+05_pr)*Tloc**(0.454_pr)* & exp(-(1.088e+04_pr)/(8.314_pr*Tloc)) FC91f = (2.420e-01_pr)* & exp(-Tloc/(9.400e+01_pr)) + (7.580e-01_pr)* & exp(-Tloc/(1.555e+03_pr)) + (1.000e+00_pr)* & exp(-(4.200e+03_pr)/Tloc) k(r91f) = & getlindratecoeff & (Tloc, k91f_0, k91f_inf, FC91f, M(mM16), Ploc ) k(r92) = (3.32000000e-03_pr)*Tloc**(2.810_pr)*& exp(-(2.452e+04_pr)/(8.314_pr*Tloc)) k(r93) = (1.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(3.347e+04_pr)/(8.314_pr*Tloc)) k(r94) = (3.43000000e+03_pr)*Tloc**(1.180_pr)*& exp(-(-1.870e+03_pr)/(8.314_pr*Tloc)) k95_0 = (1.61200000e+25_pr)*Tloc**(-4.102_pr)*& exp(-(3.552e+05_pr)/(8.314_pr*Tloc)) k95_inf = (1.36800000e+11_pr)*Tloc**(0.818_pr)* & exp(-(3.353e+05_pr)/(8.314_pr*Tloc)) FC95 = (6.800e-02_pr)* & exp(-Tloc/(1.970e+02_pr)) + (9.320e-01_pr)* & exp(-Tloc/(1.540e+03_pr)) + (1.000e+00_pr)* & exp(-(1.030e+04_pr)/Tloc) k(r95) = & getlindratecoeff & (Tloc, k95_0, k95_inf, FC95, M(mM9), Ploc ) k(r96f) = (3.20000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r97) = (5.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r98) = (4.28000000e-19_pr)*Tloc**(7.600_pr)*& exp(-(-1.477e+04_pr)/(8.314_pr*Tloc)) k(r99f) = (1.60000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r100) = (1.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r101) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r102) = (3.40000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(2.887e+03_pr)/(8.314_pr*Tloc)) k(r103) = (1.40000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r104f) = (7.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r105) = (5.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(6.276e+03_pr)/(8.314_pr*Tloc)) k(r106f) = (4.90000000e-01_pr)*Tloc**(2.500_pr)*& exp(-(2.343e+03_pr)/(8.314_pr*Tloc)) k107_0 = (3.75000000e+21_pr)*Tloc**(-4.800_pr)*& exp(-(7.950e+03_pr)/(8.314_pr*Tloc)) k107_inf = (1.00000000e+11_pr)*Tloc**(-1.000_pr)* & exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) FC107 = (3.536e-01_pr)* & exp(-Tloc/(1.320e+02_pr)) + (6.464e-01_pr)* & exp(-Tloc/(1.315e+03_pr)) + (1.000e+00_pr)* & exp(-(5.566e+03_pr)/Tloc) k(r107) = & getlindratecoeff & (Tloc, k107_0, k107_inf, FC107, M(mM22), Ploc ) k(r108) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r109) = (5.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r110f) = (4.60000000e+13_pr)*Tloc**(-1.410_pr)*& exp(-(1.211e+05_pr)/(8.314_pr*Tloc)) k(r111) = (4.08000000e+00_pr)*Tloc**(2.000_pr)*& exp(-(7.950e+03_pr)/(8.314_pr*Tloc)) k(r112) = (4.83000000e-10_pr)*Tloc**(4.000_pr)*& exp(-(-8.368e+03_pr)/(8.314_pr*Tloc)) k(r113) = (2.18000000e-10_pr)*Tloc**(4.500_pr)*& exp(-(-4.184e+03_pr)/(8.314_pr*Tloc)) k(r114f) = (3.37000000e+01_pr)*Tloc**(2.000_pr)*& exp(-(5.858e+04_pr)/(8.314_pr*Tloc)) k(r115f) = (1.63200000e+01_pr)*Tloc**(2.000_pr)*& exp(-(7.950e+03_pr)/(8.314_pr*Tloc)) k(r116f) = (1.00000000e+01_pr)*Tloc**(2.000_pr)*& exp(-(2.510e+04_pr)/(8.314_pr*Tloc)) k(r117) = (1.09400000e+05_pr)*Tloc**(0.124_pr)*& exp(-(-7.464e+03_pr)/(8.314_pr*Tloc)) k118f_0 = (4.27000000e+46_pr)*Tloc**(-11.940_pr)*& exp(-(4.088e+04_pr)/(8.314_pr*Tloc)) k118f_inf = (2.50000000e+07_pr)*Tloc**(0.000_pr)* & exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) FC118f = (8.250e-01_pr)* & exp(-Tloc/(1.341e+03_pr)) + (1.750e-01_pr)* & exp(-Tloc/(6.000e+04_pr)) + (1.000e+00_pr)* & exp(-(1.014e+04_pr)/Tloc) k(r118f) = & getlindratecoeff & (Tloc, k118f_0, k118f_inf, FC118f, M(mM30), Ploc ) k(r119) = (4.60000000e+10_pr)*Tloc**(-1.390_pr)*& exp(-(4.226e+03_pr)/(8.314_pr*Tloc)) k(r120f) = (1.34000000e+00_pr)*Tloc**(1.610_pr)*& exp(-(-1.604e+03_pr)/(8.314_pr*Tloc)) k(r121) = (3.92000000e+05_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r122) = (4.80000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r123f) = (1.50000000e+18_pr)*Tloc**(-2.830_pr)*& exp(-(7.790e+04_pr)/(8.314_pr*Tloc)) k124f_0 = (1.40000000e+18_pr)*Tloc**(-3.860_pr)*& exp(-(1.389e+04_pr)/(8.314_pr*Tloc)) k124f_inf = (6.08000000e+06_pr)*Tloc**(0.270_pr)* & exp(-(1.172e+03_pr)/(8.314_pr*Tloc)) FC124f = (2.180e-01_pr)* & exp(-Tloc/(2.075e+02_pr)) + (7.820e-01_pr)* & exp(-Tloc/(2.663e+03_pr)) + (1.000e+00_pr)* & exp(-(6.095e+03_pr)/Tloc) k(r124f) = & getlindratecoeff & (Tloc, k124f_0, k124f_inf, FC124f, M(mM29), Ploc ) k(r125) = (4.80000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r127) = (3.01100000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r128) = (3.00000000e+05_pr)*Tloc**(0.290_pr)*& exp(-(4.600e+01_pr)/(8.314_pr*Tloc)) k(r129) = (1.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r130) = (9.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k131f_0 = (2.56500000e+21_pr)*Tloc**(-3.400_pr)*& exp(-(1.498e+05_pr)/(8.314_pr*Tloc)) k131f_inf = (3.86000000e+08_pr)*Tloc**(1.620_pr)* & exp(-(1.550e+05_pr)/(8.314_pr*Tloc)) FC131f = (-9.820e-01_pr)* & exp(-Tloc/(5.384e+03_pr)) + (1.982e+00_pr)* & exp(-Tloc/(4.293e+00_pr)) + (1.000e+00_pr)* & exp(-(-7.950e-02_pr)/Tloc) k(r131f) = & getlindratecoeff & (Tloc, k131f_0, k131f_inf, FC131f, M(mM24), Ploc ) k(r132f) = (3.30000000e+05_pr)*Tloc**(0.000_pr)*& exp(-(3.222e+04_pr)/(8.314_pr*Tloc)) k(r133) = (1.92000000e+01_pr)*Tloc**(1.830_pr)*& exp(-(9.200e+02_pr)/(8.314_pr*Tloc)) k(r134) = (3.84000000e-01_pr)*Tloc**(1.830_pr)*& exp(-(9.200e+02_pr)/(8.314_pr*Tloc)) k(r135f) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(2.510e+04_pr)/(8.314_pr*Tloc)) k(r136f) = (5.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r137f) = (5.07000000e+01_pr)*Tloc**(1.900_pr)*& exp(-(5.418e+04_pr)/(8.314_pr*Tloc)) k(r138f) = (1.51000000e+01_pr)*Tloc**(1.900_pr)*& exp(-(1.565e+04_pr)/(8.314_pr*Tloc)) k(r139f) = (1.00000000e+01_pr)*Tloc**(2.000_pr)*& exp(-(3.347e+04_pr)/(8.314_pr*Tloc)) k(r140f) = (2.27000000e-01_pr)*Tloc**(2.000_pr)*& exp(-(3.849e+04_pr)/(8.314_pr*Tloc)) k141f_0 = (2.02700000e+27_pr)*Tloc**(-6.642_pr)*& exp(-(2.414e+04_pr)/(8.314_pr*Tloc)) k141f_inf = (1.36700000e+03_pr)*Tloc**(1.463_pr)* & exp(-(5.669e+03_pr)/(8.314_pr*Tloc)) FC141f = (1.569e+00_pr)* & exp(-Tloc/(2.990e+02_pr)) + (-5.690e-01_pr)* & exp(-Tloc/(9.147e+03_pr)) + (1.000e+00_pr)* & exp(-(-1.524e+02_pr)/Tloc) k(r141f) = & getlindratecoeff & (Tloc, k141f_0, k141f_inf, FC141f, M(mM36), Ploc ) k(r142f) = (3.60000000e+00_pr)*Tloc**(2.000_pr)*& exp(-(1.046e+04_pr)/(8.314_pr*Tloc)) k(r143f) = (2.00000000e+04_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r145) = (2.40000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r146) = (1.60400000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r147) = (2.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k148f_0 = (1.99000000e+29_pr)*Tloc**(-7.080_pr)*& exp(-(2.797e+04_pr)/(8.314_pr*Tloc)) k148f_inf = (5.21000000e+11_pr)*Tloc**(-0.990_pr)* & exp(-(6.611e+03_pr)/(8.314_pr*Tloc)) FC148f = (1.578e-01_pr)* & exp(-Tloc/(1.250e+02_pr)) + (8.422e-01_pr)* & exp(-Tloc/(2.219e+03_pr)) + (1.000e+00_pr)* & exp(-(6.882e+03_pr)/Tloc) k(r148f) = & getlindratecoeff & (Tloc, k148f_0, k148f_inf, FC148f, M(mM37), Ploc ) k(r150) = (3.00000000e+05_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r151) = (3.00000000e+05_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r152) = (1.56800000e+05_pr)*Tloc**(0.048_pr)*& exp(-(5.950e+04_pr)/(8.314_pr*Tloc)) k(r153) = (8.98000000e+01_pr)*Tloc**(1.920_pr)*& exp(-(2.381e+04_pr)/(8.314_pr*Tloc)) k(r154f) = (3.54000000e+00_pr)*Tloc**(2.120_pr)*& exp(-(3.640e+03_pr)/(8.314_pr*Tloc)) k(r155) = (6.14000000e+00_pr)*Tloc**(1.740_pr)*& exp(-(4.372e+04_pr)/(8.314_pr*Tloc)) k(r156f) = (1.15000000e+02_pr)*Tloc**(1.900_pr)*& exp(-(3.151e+04_pr)/(8.314_pr*Tloc)) k(r157) = (4.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(-2.301e+03_pr)/(8.314_pr*Tloc)) k(r159) = (1.00000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r160) = (5.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r162) = (1.60000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(3.573e+03_pr)/(8.314_pr*Tloc)) k(r163f) = (1.00000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r165f) = (1.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(3.347e+04_pr)/(8.314_pr*Tloc)) k(r166) = (1.75000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(5.648e+03_pr)/(8.314_pr*Tloc)) k(r167f) = (7.50000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(8.368e+03_pr)/(8.314_pr*Tloc)) k(r168f) = (5.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(3.347e+04_pr)/(8.314_pr*Tloc)) k169f_0 = (3.80000000e+29_pr)*Tloc**(-7.640_pr)*& exp(-(4.979e+04_pr)/(8.314_pr*Tloc)) k169f_inf = (3.30000000e+08_pr)*Tloc**(-0.060_pr)* & exp(-(3.556e+04_pr)/(8.314_pr*Tloc)) FC169f = (6.630e-01_pr)* & exp(-Tloc/(1.707e+03_pr)) + (3.370e-01_pr)* & exp(-Tloc/(3.200e+03_pr)) + (1.000e+00_pr)* & exp(-(4.131e+03_pr)/Tloc) k(r169f) = & getlindratecoeff & (Tloc, k169f_0, k169f_inf, FC169f, M(mM28), Ploc ) k(r170f) = (1.50000000e+03_pr)*Tloc**(1.430_pr)*& exp(-(1.126e+04_pr)/(8.314_pr*Tloc)) k(r171) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.674e+04_pr)/(8.314_pr*Tloc)) k(r172) = (7.80000000e+41_pr)*Tloc**(-9.147_pr)*& exp(-(1.962e+05_pr)/(8.314_pr*Tloc)) k(r173) = (1.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(8.368e+03_pr)/(8.314_pr*Tloc)) k(r174f) = (1.40000000e+05_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r175) = (1.80000000e+04_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r176) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.674e+04_pr)/(8.314_pr*Tloc)) k(r177f) = (9.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r179f) = (2.66000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k180f_0 = (3.91000000e+48_pr)*Tloc**(-12.810_pr)*& exp(-(2.615e+04_pr)/(8.314_pr*Tloc)) k180f_inf = (1.00000000e+08_pr)*Tloc**(-0.320_pr)* & exp(-(-1.097e+03_pr)/(8.314_pr*Tloc)) FC180f = (8.960e-01_pr)* & exp(-Tloc/(1.606e+03_pr)) + (1.040e-01_pr)* & exp(-Tloc/(6.000e+04_pr)) + (1.000e+00_pr)* & exp(-(6.118e+03_pr)/Tloc) k(r180f) = & getlindratecoeff & (Tloc, k180f_0, k180f_inf, FC180f, M(mM42), Ploc ) k181f_0 = (1.33000000e+48_pr)*Tloc**(-12.000_pr)*& exp(-(2.497e+04_pr)/(8.314_pr*Tloc)) k181f_inf = (2.00000000e+08_pr)*Tloc**(0.000_pr)* & exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) FC181f = (9.800e-01_pr)* & exp(-Tloc/(1.097e+03_pr)) + (2.000e-02_pr)* & exp(-Tloc/(1.097e+03_pr)) + (1.000e+00_pr)* & exp(-(6.860e+03_pr)/Tloc) k(r181f) = & getlindratecoeff & (Tloc, k181f_0, k181f_inf, FC181f, M(mM41), Ploc ) k(r182) = (6.60000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r183) = (2.24700000e+61_pr)*Tloc**(-14.536_pr)*& exp(-(3.603e+05_pr)/(8.314_pr*Tloc)) k184f_0 = (6.26000000e+26_pr)*Tloc**(-6.660_pr)*& exp(-(2.929e+04_pr)/(8.314_pr*Tloc)) k184f_inf = (1.33000000e+07_pr)*Tloc**(0.000_pr)* & exp(-(1.364e+04_pr)/(8.314_pr*Tloc)) FC184f = (0.000e+00_pr)* & exp(-Tloc/(1.000e+03_pr)) + (1.000e+00_pr)* & exp(-Tloc/(1.310e+03_pr)) + (1.000e+00_pr)* & exp(-(4.810e+04_pr)/Tloc) k(r184f) = & getlindratecoeff & (Tloc, k184f_0, k184f_inf, FC184f, M(mM43), Ploc ) k(r185) = (9.60000000e-03_pr)*Tloc**(2.600_pr)*& exp(-(5.820e+04_pr)/(8.314_pr*Tloc)) k(r186f) = (8.00000000e+15_pr)*Tloc**(-2.390_pr)*& exp(-(4.678e+04_pr)/(8.314_pr*Tloc)) k(r187f) = (1.73000000e-01_pr)*Tloc**(2.500_pr)*& exp(-(1.042e+04_pr)/(8.314_pr*Tloc)) k(r188) = (1.80000000e+05_pr)*Tloc**(0.700_pr)*& exp(-(2.460e+04_pr)/(8.314_pr*Tloc)) k(r189f) = (7.23000000e+05_pr)*Tloc**(0.000_pr)*& exp(-(2.092e+04_pr)/(8.314_pr*Tloc)) k(r190) = (8.00000000e+01_pr)*Tloc**(1.650_pr)*& exp(-(1.368e+03_pr)/(8.314_pr*Tloc)) k(r191) = (3.50000000e+01_pr)*Tloc**(1.650_pr)*& exp(-(-4.067e+03_pr)/(8.314_pr*Tloc)) k(r192) = (2.20000000e-06_pr)*Tloc**(3.500_pr)*& exp(-(2.374e+04_pr)/(8.314_pr*Tloc)) k(r193f) = (3.10000000e+00_pr)*Tloc**(2.000_pr)*& exp(-(-1.247e+03_pr)/(8.314_pr*Tloc)) k(r194) = (2.40000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r195f) = (9.00000000e+04_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r196) = (1.10000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r197) = (1.80000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r198) = (2.40000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r199) = (9.60000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r200) = (3.70000000e+18_pr)*Tloc**(-2.920_pr)*& exp(-(5.232e+04_pr)/(8.314_pr*Tloc)) k(r201f) = (1.46000000e+24_pr)*Tloc**(-4.340_pr)*& exp(-(9.057e+04_pr)/(8.314_pr*Tloc)) k(r203) = (2.00000000e+15_pr)*Tloc**(-2.000_pr)*& exp(-(4.602e+04_pr)/(8.314_pr*Tloc)) k(r204) = (2.40000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r205) = (1.10000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r206) = (1.80000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r207) = (1.20500000e+47_pr)*Tloc**(-10.519_pr)*& exp(-(2.119e+05_pr)/(8.314_pr*Tloc)) k(r208) = (1.00000000e+05_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k209_0 = (3.01000000e+36_pr)*Tloc**(-9.320_pr)*& exp(-(2.441e+04_pr)/(8.314_pr*Tloc)) k209_inf = (3.60000000e+07_pr)*Tloc**(0.000_pr)* & exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) FC209 = (5.020e-01_pr)* & exp(-Tloc/(1.314e+03_pr)) + (4.980e-01_pr)* & exp(-Tloc/(1.314e+03_pr)) + (1.000e+00_pr)* & exp(-(5.000e+04_pr)/Tloc) k(r209) = & getlindratecoeff & (Tloc, k209_0, k209_inf, FC209, M(mM47), Ploc ) k(r210f) = (2.48000000e+53_pr)*Tloc**(-12.300_pr)*& exp(-(2.176e+05_pr)/(8.314_pr*Tloc)) k(r211f) = (3.20000000e+16_pr)*Tloc**(-2.390_pr)*& exp(-(4.678e+04_pr)/(8.314_pr*Tloc)) k(r212f) = (6.50000000e-01_pr)*Tloc**(2.540_pr)*& exp(-(2.827e+04_pr)/(8.314_pr*Tloc)) k(r213) = (3.30000000e+02_pr)*Tloc**(1.450_pr)*& exp(-(-1.682e+03_pr)/(8.314_pr*Tloc)) k(r214) = (1.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(6.000e+04_pr)/(8.314_pr*Tloc)) k(r215) = (7.00000000e-04_pr)*Tloc**(2.660_pr)*& exp(-(2.205e+03_pr)/(8.314_pr*Tloc)) k(r216) = (1.50000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(2.410e+04_pr)/(8.314_pr*Tloc)) k(r217) = (2.60000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.870e+04_pr)/(8.314_pr*Tloc)) k(r218) = (4.50000000e-07_pr)*Tloc**(3.650_pr)*& exp(-(2.993e+04_pr)/(8.314_pr*Tloc)) k(r219f) = (1.60000000e+16_pr)*Tloc**(-2.390_pr)*& exp(-(4.678e+04_pr)/(8.314_pr*Tloc)) k(r220) = (1.60000000e+16_pr)*Tloc**(-2.390_pr)*& exp(-(4.678e+04_pr)/(8.314_pr*Tloc)) k(r222) = (8.00000000e+15_pr)*Tloc**(-2.390_pr)*& exp(-(4.678e+04_pr)/(8.314_pr*Tloc)) k(r223) = (5.40000000e-02_pr)*Tloc**(2.500_pr)*& exp(-(-7.950e+03_pr)/(8.314_pr*Tloc)) k(r225) = (1.60000000e+16_pr)*Tloc**(-2.390_pr)*& exp(-(4.678e+04_pr)/(8.314_pr*Tloc)) k(r226) = (3.30000000e+02_pr)*Tloc**(1.450_pr)*& exp(-(-1.682e+03_pr)/(8.314_pr*Tloc)) k(r227) = (5.40000000e-02_pr)*Tloc**(2.500_pr)*& exp(-(-7.950e+03_pr)/(8.314_pr*Tloc)) k(r228) = (4.60000000e-01_pr)*Tloc**(2.600_pr)*& exp(-(7.397e+03_pr)/(8.314_pr*Tloc)) k(r229) = (9.03000000e-07_pr)*Tloc**(3.650_pr)*& exp(-(2.993e+04_pr)/(8.314_pr*Tloc)) k(r230) = (5.70000000e-02_pr)*Tloc**(2.600_pr)*& exp(-(5.820e+04_pr)/(8.314_pr*Tloc)) k(r231) = (5.64000000e+26_pr)*Tloc**(-2.680_pr)*& exp(-(3.689e+05_pr)/(8.314_pr*Tloc)) k(r232) = (6.00000000e-06_pr)*Tloc**(3.460_pr)*& exp(-(2.293e+04_pr)/(8.314_pr*Tloc)) k(r233) = (2.50000000e+00_pr)*Tloc**(2.400_pr)*& exp(-(2.303e+04_pr)/(8.314_pr*Tloc)) k(r234) = (7.88000000e+25_pr)*Tloc**(-2.650_pr)*& exp(-(3.698e+05_pr)/(8.314_pr*Tloc)) k(r235) = (6.00000000e+00_pr)*Tloc**(2.000_pr)*& exp(-(-2.494e+03_pr)/(8.314_pr*Tloc)) k(r236) = (8.53000000e+23_pr)*Tloc**(-2.030_pr)*& exp(-(3.767e+05_pr)/(8.314_pr*Tloc)) k(r237) = (5.20000000e+00_pr)*Tloc**(2.400_pr)*& exp(-(1.871e+04_pr)/(8.314_pr*Tloc)) k(r238) = (4.00000000e+26_pr)*Tloc**(-2.660_pr)*& exp(-(3.698e+05_pr)/(8.314_pr*Tloc)) k(r239) = (7.80000000e+00_pr)*Tloc**(2.400_pr)*& exp(-(1.871e+04_pr)/(8.314_pr*Tloc)) k(r240) = (1.40000000e+01_pr)*Tloc**(1.800_pr)*& exp(-(4.075e+03_pr)/(8.314_pr*Tloc)) k(r241) = (3.80000000e-02_pr)*Tloc**(2.600_pr)*& exp(-(5.820e+04_pr)/(8.314_pr*Tloc)) k(r242) = (4.00000000e+00_pr)*Tloc**(2.000_pr)*& exp(-(-2.494e+03_pr)/(8.314_pr*Tloc)) k(r243) = (2.40000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(1.991e+05_pr)/(8.314_pr*Tloc)) k(r244) = (9.00000000e-06_pr)*Tloc**(3.460_pr)*& exp(-(2.293e+04_pr)/(8.314_pr*Tloc)) k(r245) = (6.90000000e-01_pr)*Tloc**(2.600_pr)*& exp(-(7.397e+03_pr)/(8.314_pr*Tloc)) k(r246) = (4.76000000e-02_pr)*Tloc**(2.550_pr)*& exp(-(6.899e+04_pr)/(8.314_pr*Tloc)) k(r247) = (1.30000000e+00_pr)*Tloc**(2.540_pr)*& exp(-(2.827e+04_pr)/(8.314_pr*Tloc)) k(r248) = (1.60000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(1.991e+05_pr)/(8.314_pr*Tloc)) k(r249) = (3.80000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r250) = (5.06800000e+07_pr)*Tloc**(0.123_pr)*& exp(-(1.012e+05_pr)/(8.314_pr*Tloc)) k(r251) = (1.90000000e+05_pr)*Tloc**(0.000_pr)*& exp(-(1.423e+04_pr)/(8.314_pr*Tloc)) k(r253) = (6.29300000e-02_pr)*Tloc**(0.778_pr)*& exp(-(-3.255e+04_pr)/(8.314_pr*Tloc)) k(r254) = (6.40000000e+03_pr)*Tloc**(1.000_pr)*& exp(-(2.628e+04_pr)/(8.314_pr*Tloc)) k(r257) = (1.35800000e+07_pr)*Tloc**(0.470_pr)*& exp(-(1.744e+05_pr)/(8.314_pr*Tloc)) k(r258) = (9.20000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r259) = (4.30600000e+05_pr)*Tloc**(0.188_pr)*& exp(-(4.222e+04_pr)/(8.314_pr*Tloc)) k(r260) = (2.26500000e+01_pr)*Tloc**(1.443_pr)*& exp(-(9.892e+04_pr)/(8.314_pr*Tloc)) k(r261) = (1.01700000e-03_pr)*Tloc**(1.427_pr)*& exp(-(-8.414e+03_pr)/(8.314_pr*Tloc)) k(r262) = (5.00000000e+05_pr)*Tloc**(0.500_pr)*& exp(-(8.368e+03_pr)/(8.314_pr*Tloc)) k(r263) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r264) = (6.65300000e+00_pr)*Tloc**(2.074_pr)*& exp(-(1.187e+05_pr)/(8.314_pr*Tloc)) k(r265) = (4.60000000e-01_pr)*Tloc**(2.000_pr)*& exp(-(2.720e+04_pr)/(8.314_pr*Tloc)) k(r266) = (4.13900000e+06_pr)*Tloc**(0.227_pr)*& exp(-(6.497e+04_pr)/(8.314_pr*Tloc)) k(r267) = (1.30000000e+00_pr)*Tloc**(1.500_pr)*& exp(-(4.180e+02_pr)/(8.314_pr*Tloc)) k(r268) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r269) = (7.41200000e-06_pr)*Tloc**(3.188_pr)*& exp(-(3.146e+04_pr)/(8.314_pr*Tloc)) k(r270) = (6.80000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r272) = (4.00000000e+00_pr)*Tloc**(2.000_pr)*& exp(-(4.184e+03_pr)/(8.314_pr*Tloc)) k(r273) = (6.60000000e+08_pr)*Tloc**(-0.500_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r274) = (4.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.527e+04_pr)/(8.314_pr*Tloc)) k(r275) = (2.24800000e+04_pr)*Tloc**(0.477_pr)*& exp(-(1.893e+05_pr)/(8.314_pr*Tloc)) k(r276) = (3.30000000e+06_pr)*Tloc**(0.300_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r277) = (6.00000000e+01_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r278) = (9.60400000e+02_pr)*Tloc**(0.914_pr)*& exp(-(1.180e+05_pr)/(8.314_pr*Tloc)) k(r279) = (1.60000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r280) = (2.10000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(-2.004e+03_pr)/(8.314_pr*Tloc)) k(r281) = (7.59900000e+05_pr)*Tloc**(0.117_pr)*& exp(-(1.028e+05_pr)/(8.314_pr*Tloc)) k(r282) = (3.40000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r283) = (6.42400000e+02_pr)*Tloc**(1.088_pr)*& exp(-(1.589e+05_pr)/(8.314_pr*Tloc)) k(r284) = (5.94200000e+04_pr)*Tloc**(0.472_pr)*& exp(-(2.168e+05_pr)/(8.314_pr*Tloc)) k(r285) = (4.36900000e+03_pr)*Tloc**(1.231_pr)*& exp(-(2.270e+05_pr)/(8.314_pr*Tloc)) k(r286) = (6.31900000e+09_pr)*Tloc**(-0.379_pr)*& exp(-(3.686e+05_pr)/(8.314_pr*Tloc)) k(r287) = (2.20000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(-1.582e+03_pr)/(8.314_pr*Tloc)) k(r288) = (1.90000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r289) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r290) = (4.81300000e+09_pr)*Tloc**(-0.265_pr)*& exp(-(2.986e+05_pr)/(8.314_pr*Tloc)) k(r291) = (1.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(4.184e+03_pr)/(8.314_pr*Tloc)) k(r292) = (4.80000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r293) = (5.61900000e+06_pr)*Tloc**(0.358_pr)*& exp(-(2.891e+05_pr)/(8.314_pr*Tloc)) k(r294) = (7.50000000e+07_pr)*Tloc**(-1.410_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r295) = (1.56600000e+00_pr)*Tloc**(0.945_pr)*& exp(-(1.098e+05_pr)/(8.314_pr*Tloc)) k(r296) = (1.92300000e+09_pr)*Tloc**(-0.348_pr)*& exp(-(2.049e+05_pr)/(8.314_pr*Tloc)) k(r297) = (2.70000000e+03_pr)*Tloc**(0.000_pr)*& exp(-(-2.510e+03_pr)/(8.314_pr*Tloc)) k(r298) = (2.85000000e+08_pr)*Tloc**(-0.366_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r299) = (2.90000000e+09_pr)*Tloc**(-0.988_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r300) = (1.50000000e-07_pr)*Tloc**(3.523_pr)*& exp(-(1.653e+04_pr)/(8.314_pr*Tloc)) k(r301) = (7.20000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r302) = (2.20000000e+07_pr)*Tloc**(-0.230_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r303) = (4.50000000e+05_pr)*Tloc**(0.720_pr)*& exp(-(2.741e+03_pr)/(8.314_pr*Tloc)) k(r304) = (1.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r305) = (8.03300000e+00_pr)*Tloc**(1.700_pr)*& exp(-(3.668e+04_pr)/(8.314_pr*Tloc)) k(r306) = (1.76100000e+11_pr)*Tloc**(-0.737_pr)*& exp(-(8.178e+04_pr)/(8.314_pr*Tloc)) k(r307) = (3.60000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r308) = (3.31000000e+08_pr)*Tloc**(-0.500_pr)*& exp(-(6.788e+04_pr)/(8.314_pr*Tloc)) k(r309) = (1.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.046e+05_pr)/(8.314_pr*Tloc)) k(r310) = (1.04900000e+11_pr)*Tloc**(-0.224_pr)*& exp(-(2.067e+05_pr)/(8.314_pr*Tloc)) k(r311) = (2.74300000e+07_pr)*Tloc**(0.100_pr)*& exp(-(1.444e+05_pr)/(8.314_pr*Tloc)) k(r312) = (1.51400000e+18_pr)*Tloc**(-2.076_pr)*& exp(-(3.081e+05_pr)/(8.314_pr*Tloc)) k(r313) = (3.20000000e+12_pr)*Tloc**(-2.200_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r314) = (5.90000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r315) = (9.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.413e+05_pr)/(8.314_pr*Tloc)) k(r316) = (3.90000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(-9.960e+02_pr)/(8.314_pr*Tloc)) k(r317) = (1.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r318) = (8.40000000e+09_pr)*Tloc**(-0.750_pr)*& exp(-(8.075e+03_pr)/(8.314_pr*Tloc)) k(r319) = (8.40000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r320) = (2.84800000e+07_pr)*Tloc**(-0.123_pr)*& exp(-(2.638e+04_pr)/(8.314_pr*Tloc)) k(r321) = (1.40000000e-02_pr)*Tloc**(2.640_pr)*& exp(-(2.084e+04_pr)/(8.314_pr*Tloc)) k(r322) = (3.57200000e+04_pr)*Tloc**(0.786_pr)*& exp(-(7.726e+04_pr)/(8.314_pr*Tloc)) k(r323) = (2.00000000e-09_pr)*Tloc**(4.000_pr)*& exp(-(4.184e+03_pr)/(8.314_pr*Tloc)) k(r324) = (3.50000000e-03_pr)*Tloc**(2.640_pr)*& exp(-(2.084e+04_pr)/(8.314_pr*Tloc)) k(r325) = (7.80000000e-10_pr)*Tloc**(4.000_pr)*& exp(-(1.674e+04_pr)/(8.314_pr*Tloc)) k(r326) = (1.40000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(7.594e+03_pr)/(8.314_pr*Tloc)) k(r327) = (5.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(6.276e+04_pr)/(8.314_pr*Tloc)) k(r328) = (2.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(8.368e+04_pr)/(8.314_pr*Tloc)) k(r329) = (5.60000000e+11_pr)*Tloc**(-1.730_pr)*& exp(-(3.192e+03_pr)/(8.314_pr*Tloc)) k(r330) = (8.40000000e+11_pr)*Tloc**(-1.730_pr)*& exp(-(3.192e+03_pr)/(8.314_pr*Tloc)) k(r331) = (5.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r332) = (3.10000000e+10_pr)*Tloc**(-0.500_pr)*& exp(-(2.008e+05_pr)/(8.314_pr*Tloc)) k(r334) = (7.60000000e-04_pr)*Tloc**(3.000_pr)*& exp(-(1.674e+04_pr)/(8.314_pr*Tloc)) k(r335) = (6.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r336) = (1.03600000e-01_pr)*Tloc**(2.342_pr)*& exp(-(6.657e+03_pr)/(8.314_pr*Tloc)) k(r337) = (1.50000000e-15_pr)*Tloc**(6.890_pr)*& exp(-(-1.218e+04_pr)/(8.314_pr*Tloc)) k(r338) = (1.40800000e+01_pr)*Tloc**(2.002_pr)*& exp(-(5.530e+04_pr)/(8.314_pr*Tloc)) k(r339) = (7.91500000e-01_pr)*Tloc**(2.119_pr)*& exp(-(4.190e+04_pr)/(8.314_pr*Tloc)) k(r340) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r341) = (9.80000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(3.397e+04_pr)/(8.314_pr*Tloc)) k(r342) = (4.70000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r343) = (2.20000000e+01_pr)*Tloc**(1.700_pr)*& exp(-(1.590e+04_pr)/(8.314_pr*Tloc)) k(r344) = (9.80000000e+01_pr)*Tloc**(1.410_pr)*& exp(-(3.566e+04_pr)/(8.314_pr*Tloc)) k(r345) = (9.87900000e-03_pr)*Tloc**(2.728_pr)*& exp(-(5.040e+04_pr)/(8.314_pr*Tloc)) k(r346) = (6.40000000e-01_pr)*Tloc**(2.000_pr)*& exp(-(1.072e+04_pr)/(8.314_pr*Tloc)) k(r347) = (2.20000000e+00_pr)*Tloc**(2.110_pr)*& exp(-(4.780e+04_pr)/(8.314_pr*Tloc)) k(r348) = (1.10000000e+10_pr)*Tloc**(0.000_pr)*& exp(-(3.598e+05_pr)/(8.314_pr*Tloc)) k(r349) = (1.36600000e+05_pr)*Tloc**(0.144_pr)*& exp(-(5.976e+04_pr)/(8.314_pr*Tloc)) k(r350) = (4.27300000e-05_pr)*Tloc**(3.129_pr)*& exp(-(7.980e+04_pr)/(8.314_pr*Tloc)) k(r351) = (1.90200000e+04_pr)*Tloc**(0.959_pr)*& exp(-(4.452e+05_pr)/(8.314_pr*Tloc)) k(r352) = (8.90100000e-24_pr)*Tloc**(8.396_pr)*& exp(-(2.539e+05_pr)/(8.314_pr*Tloc)) k(r353) = (7.00000000e+07_pr)*Tloc**(-1.500_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r354) = (6.53800000e-04_pr)*Tloc**(1.148_pr)*& exp(-(6.447e+04_pr)/(8.314_pr*Tloc)) k(r355) = (2.71800000e+15_pr)*Tloc**(-1.724_pr)*& exp(-(2.092e+05_pr)/(8.314_pr*Tloc)) k(r356) = (5.34900000e+06_pr)*Tloc**(0.422_pr)*& exp(-(3.132e+05_pr)/(8.314_pr*Tloc)) k(r357) = (3.16200000e-11_pr)*Tloc**(5.325_pr)*& exp(-(2.624e+05_pr)/(8.314_pr*Tloc)) k(r358) = (8.08200000e+09_pr)*Tloc**(-0.709_pr)*& exp(-(5.214e+05_pr)/(8.314_pr*Tloc)) k(r359) = (3.70000000e+01_pr)*Tloc**(1.420_pr)*& exp(-(8.670e+04_pr)/(8.314_pr*Tloc)) k(r360) = (3.68600000e+07_pr)*Tloc**(-0.025_pr)*& exp(-(4.069e+05_pr)/(8.314_pr*Tloc)) k(r361) = (7.41100000e+05_pr)*Tloc**(0.103_pr)*& exp(-(4.497e+05_pr)/(8.314_pr*Tloc)) k(r362f) = (1.50000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(2.510e+03_pr)/(8.314_pr*Tloc)) k(r363) = (6.60000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.114e+05_pr)/(8.314_pr*Tloc)) k(r364) = (1.26600000e+15_pr)*Tloc**(-1.556_pr)*& exp(-(1.511e+05_pr)/(8.314_pr*Tloc)) k(r365) = (2.36000000e-17_pr)*Tloc**(7.000_pr)*& exp(-(-1.845e+03_pr)/(8.314_pr*Tloc)) k(r366) = (1.90000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(-2.138e+03_pr)/(8.314_pr*Tloc)) k(r367) = (3.20000000e+05_pr)*Tloc**(0.000_pr)*& exp(-(8.467e+04_pr)/(8.314_pr*Tloc)) k(r368) = (4.00000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(2.347e+05_pr)/(8.314_pr*Tloc)) k(r369) = (1.00000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(1.172e+05_pr)/(8.314_pr*Tloc)) k(r370) = (1.30000000e-08_pr)*Tloc**(4.720_pr)*& exp(-(1.530e+05_pr)/(8.314_pr*Tloc)) k(r2b) = (1.55297331e+12_pr)*Tloc**(-0.71_pr)*& exp(-(4.2713e+05_pr)/(8.314_pr*Tloc)) k(r4b) = (2.79849288e-02_pr)*Tloc**(2.66_pr)*& exp(-(2.0111e+04_pr)/(8.314_pr*Tloc)) k5b_0 = (8.69140321e+16_pr)*Tloc**(-1.63_pr)*& exp(-(2.0527e+05_pr)/(8.314_pr*Tloc)) k5b_inf = (4.79973013e+19_pr)*Tloc**(-1.42_pr)* & exp(-(2.1486e+05_pr)/(8.314_pr*Tloc)) FC5b = (2.654e-01_pr)* & exp(-Tloc/(9.400e+01_pr)) + (7.346e-01_pr)* & exp(-Tloc/(1.756e+03_pr)) + (1.000e+00_pr)* & exp(-(5.182e+03_pr)/Tloc) k(r5b) = & getlindratecoeff & (Tloc, k5b_0, k5b_inf, FC5b, M(mM6), Ploc ) k(r6b) = (2.16281384e+03_pr)*Tloc**(1.39_pr)*& exp(-(7.7478e+04_pr)/(8.314_pr*Tloc)) k(r7b) = (1.48238493e+17_pr)*Tloc**(-1.79_pr)*& exp(-(4.9633e+05_pr)/(8.314_pr*Tloc)) k(r8b) = (8.12610562e-01_pr)*Tloc**(2.32_pr)*& exp(-(6.0378e+04_pr)/(8.314_pr*Tloc)) k(r10b) = (5.40147158e+07_pr)*Tloc**(-0.24_pr)*& exp(-(5.0578e+02_pr)/(8.314_pr*Tloc)) k11b_0 = (1.12840584e+14_pr)*Tloc**(-1.44_pr)*& exp(-(2.0482e+05_pr)/(8.314_pr*Tloc)) k11b_inf = (9.12282601e+12_pr)*Tloc**(0.40_pr)* & exp(-(2.0482e+05_pr)/(8.314_pr*Tloc)) FC11b = (5.000e-01_pr)* & exp(-Tloc/(1.000e-30_pr)) + (5.000e-01_pr)* & exp(-Tloc/(1.000e+30_pr)) + (0.000e+00_pr)* & exp(-(0.000e+00_pr)/Tloc) k(r11b) = & getlindratecoeff & (Tloc, k11b_0, k11b_inf, FC11b, M(mM5), Ploc ) k(r12b) = (3.90560892e+00_pr)*Tloc**(2.06_pr)*& exp(-(-4.4845e+03_pr)/(8.314_pr*Tloc)) k(r13b) = (1.41249855e+04_pr)*Tloc**(0.77_pr)*& exp(-(1.5275e+05_pr)/(8.314_pr*Tloc)) k(r14b) = (4.74223618e+06_pr)*Tloc**(2.25_pr)*& exp(-(4.5891e+05_pr)/(8.314_pr*Tloc)) k(r15b) = (2.66396534e+12_pr)*Tloc**(-1.51_pr)*& exp(-(2.9176e+05_pr)/(8.314_pr*Tloc)) k(r16b) = (3.69492435e+06_pr)*Tloc**(0.33_pr)*& exp(-(2.2231e+05_pr)/(8.314_pr*Tloc)) k(r17b) = (1.01457404e+65_pr)*Tloc**(-16.47_pr)*& exp(-(4.2921e+05_pr)/(8.314_pr*Tloc)) k(r20b) = (1.67392074e+10_pr)*Tloc**(-0.24_pr)*& exp(-(2.1176e+05_pr)/(8.314_pr*Tloc)) k(r22b) = (2.00264328e-02_pr)*Tloc**(2.61_pr)*& exp(-(8.8594e+04_pr)/(8.314_pr*Tloc)) k(r24b) = (1.10237544e+34_pr)*Tloc**(-6.51_pr)*& exp(-(2.8726e+05_pr)/(8.314_pr*Tloc)) k(r26b) = (8.25749396e+04_pr)*Tloc**(0.49_pr)*& exp(-(1.3175e+05_pr)/(8.314_pr*Tloc)) k(r27b) = (1.74591685e+03_pr)*Tloc**(1.50_pr)*& exp(-(-4.3667e+03_pr)/(8.314_pr*Tloc)) k(r32b) = (2.59168353e+02_pr)*Tloc**(1.46_pr)*& exp(-(6.1349e+04_pr)/(8.314_pr*Tloc)) k(r39b) = (8.93660482e+00_pr)*Tloc**(2.17_pr)*& exp(-(8.7031e+04_pr)/(8.314_pr*Tloc)) k(r45b) = (1.33512910e+06_pr)*Tloc**(0.23_pr)*& exp(-(4.8634e+04_pr)/(8.314_pr*Tloc)) k(r48b) = (2.10571310e+07_pr)*Tloc**(-0.06_pr)*& exp(-(3.7280e+04_pr)/(8.314_pr*Tloc)) k(r49b) = (2.54675958e+10_pr)*Tloc**(-0.60_pr)*& exp(-(6.8380e+04_pr)/(8.314_pr*Tloc)) k50b_0 = (1.76486038e+30_pr)*Tloc**(-5.00_pr)*& exp(-(4.5275e+05_pr)/(8.314_pr*Tloc)) k50b_inf = (9.04873914e+18_pr)*Tloc**(-0.87_pr)* & exp(-(4.4415e+05_pr)/(8.314_pr*Tloc)) FC50b = (2.170e-01_pr)* & exp(-Tloc/(7.400e+01_pr)) + (7.830e-01_pr)* & exp(-Tloc/(2.941e+03_pr)) + (1.000e+00_pr)* & exp(-(6.964e+03_pr)/Tloc) k(r50b) = & getlindratecoeff & (Tloc, k50b_0, k50b_inf, FC50b, M(mM17), Ploc ) k(r51b) = (1.34755379e+00_pr)*Tloc**(2.02_pr)*& exp(-(5.4708e+04_pr)/(8.314_pr*Tloc)) k(r53b) = (8.57420435e+05_pr)*Tloc**(0.48_pr)*& exp(-(-5.2521e+03_pr)/(8.314_pr*Tloc)) k(r54b) = (8.07196807e+11_pr)*Tloc**(-1.08_pr)*& exp(-(7.5270e+03_pr)/(8.314_pr*Tloc)) k55b_0 = (4.90122082e+52_pr)*Tloc**(-11.11_pr)*& exp(-(4.1109e+05_pr)/(8.314_pr*Tloc)) k55b_inf = (5.87038879e+24_pr)*Tloc**(-2.41_pr)* & exp(-(3.8767e+05_pr)/(8.314_pr*Tloc)) FC55b = (4.675e-01_pr)* & exp(-Tloc/(1.510e+02_pr)) + (5.325e-01_pr)* & exp(-Tloc/(1.038e+03_pr)) + (1.000e+00_pr)* & exp(-(4.970e+03_pr)/Tloc) k(r55b) = & getlindratecoeff & (Tloc, k55b_0, k55b_inf, FC55b, M(mM19), Ploc ) k(r60b) = (2.13924431e-01_pr)*Tloc**(2.51_pr)*& exp(-(9.7842e+04_pr)/(8.314_pr*Tloc)) k(r63b) = (9.53149340e+10_pr)*Tloc**(-1.03_pr)*& exp(-(2.0359e+03_pr)/(8.314_pr*Tloc)) k(r64b) = (4.72850625e-01_pr)*Tloc**(2.05_pr)*& exp(-(6.6840e+04_pr)/(8.314_pr*Tloc)) k(r65b) = (2.20680425e+06_pr)*Tloc**(-0.03_pr)*& exp(-(5.6657e+04_pr)/(8.314_pr*Tloc)) k(r67b) = (2.35808926e-01_pr)*Tloc**(2.03_pr)*& exp(-(2.0564e+04_pr)/(8.314_pr*Tloc)) k(r68b) = (2.50206078e-01_pr)*Tloc**(2.19_pr)*& exp(-(3.6023e+04_pr)/(8.314_pr*Tloc)) k(r69b) = (4.83393707e-01_pr)*Tloc**(2.03_pr)*& exp(-(5.6362e+04_pr)/(8.314_pr*Tloc)) k(r70b) = (6.31713929e+06_pr)*Tloc**(-0.06_pr)*& exp(-(3.7280e+04_pr)/(8.314_pr*Tloc)) k71b_0 = (1.21476956e+29_pr)*Tloc**(-5.18_pr)*& exp(-(3.2076e+05_pr)/(8.314_pr*Tloc)) k71b_inf = (2.25793598e+20_pr)*Tloc**(-1.44_pr)* & exp(-(3.1266e+05_pr)/(8.314_pr*Tloc)) FC71b = (4.243e-01_pr)* & exp(-Tloc/(2.370e+02_pr)) + (5.757e-01_pr)* & exp(-Tloc/(1.652e+03_pr)) + (1.000e+00_pr)* & exp(-(5.069e+03_pr)/Tloc) k(r71b) = & getlindratecoeff & (Tloc, k71b_0, k71b_inf, FC71b, M(mM10), Ploc ) k(r72b) = (3.14483145e+13_pr)*Tloc**(-1.94_pr)*& exp(-(1.0907e+05_pr)/(8.314_pr*Tloc)) k73b_0 = (1.05546436e+24_pr)*Tloc**(-3.77_pr)*& exp(-(5.5235e+05_pr)/(8.314_pr*Tloc)) k73b_inf = (1.22552640e+16_pr)*Tloc**(-0.98_pr)* & exp(-(5.4479e+05_pr)/(8.314_pr*Tloc)) FC73b = + (1.000e+00_pr)* & exp(-(0.000e+00_pr)/Tloc) k(r73b) = & getlindratecoeff & (Tloc, k73b_0, k73b_inf, FC73b, M(mM7), Ploc ) k74b_0 = (1.17741474e+36_pr)*Tloc**(-6.88_pr)*& exp(-(3.6665e+05_pr)/(8.314_pr*Tloc)) k74b_inf = (3.54537524e+20_pr)*Tloc**(-1.27_pr)* & exp(-(3.5584e+05_pr)/(8.314_pr*Tloc)) FC74b = (4.093e-01_pr)* & exp(-Tloc/(2.750e+02_pr)) + (5.907e-01_pr)* & exp(-Tloc/(1.226e+03_pr)) + (1.000e+00_pr)* & exp(-(5.185e+03_pr)/Tloc) k(r74b) = & getlindratecoeff & (Tloc, k74b_0, k74b_inf, FC74b, M(mM13), Ploc ) k(r75b) = (1.24876833e+10_pr)*Tloc**(-0.84_pr)*& exp(-(2.3649e+05_pr)/(8.314_pr*Tloc)) k(r76b) = (3.84896342e+05_pr)*Tloc**(0.78_pr)*& exp(-(1.0620e+05_pr)/(8.314_pr*Tloc)) k(r80b) = (2.90963701e+04_pr)*Tloc**(-0.74_pr)*& exp(-(5.2287e+03_pr)/(8.314_pr*Tloc)) k81b_0 = (2.64971363e+20_pr)*Tloc**(-2.71_pr)*& exp(-(3.7580e+05_pr)/(8.314_pr*Tloc)) k81b_inf = (2.13939841e+14_pr)*Tloc**(0.34_pr)* & exp(-(3.6875e+05_pr)/(8.314_pr*Tloc)) FC81b = (2.176e-01_pr)* & exp(-Tloc/(2.710e+02_pr)) + (7.824e-01_pr)* & exp(-Tloc/(2.755e+03_pr)) + (1.000e+00_pr)* & exp(-(6.570e+03_pr)/Tloc) k(r81b) = & getlindratecoeff & (Tloc, k81b_0, k81b_inf, FC81b, M(mM11), Ploc ) k(r84b) = (3.49156441e+05_pr)*Tloc**(-0.74_pr)*& exp(-(5.2287e+03_pr)/(8.314_pr*Tloc)) k(r86b) = (5.04332226e+06_pr)*Tloc**(0.59_pr)*& exp(-(3.6730e+05_pr)/(8.314_pr*Tloc)) k(r88b) = (3.16519836e+01_pr)*Tloc**(1.53_pr)*& exp(-(7.7070e+04_pr)/(8.314_pr*Tloc)) k(r89b) = (9.08518312e+05_pr)*Tloc**(0.10_pr)*& exp(-(2.3851e+03_pr)/(8.314_pr*Tloc)) k91b_0 = (4.06230625e+27_pr)*Tloc**(-5.69_pr)*& exp(-(1.1383e+05_pr)/(8.314_pr*Tloc)) k91b_inf = (9.97111533e+14_pr)*Tloc**(-0.44_pr)* & exp(-(1.0145e+05_pr)/(8.314_pr*Tloc)) FC91b = (2.420e-01_pr)* & exp(-Tloc/(9.400e+01_pr)) + (7.580e-01_pr)* & exp(-Tloc/(1.555e+03_pr)) + (1.000e+00_pr)* & exp(-(4.200e+03_pr)/Tloc) k(r91b) = & getlindratecoeff & (Tloc, k91b_0, k91b_inf, FC91b, M(mM16), Ploc ) k(r96b) = (2.11452681e+01_pr)*Tloc**(1.46_pr)*& exp(-(4.7670e+04_pr)/(8.314_pr*Tloc)) k(r99b) = (3.62462715e-01_pr)*Tloc**(1.94_pr)*& exp(-(4.2418e+04_pr)/(8.314_pr*Tloc)) k(r104b) = (4.91333056e+06_pr)*Tloc**(-0.06_pr)*& exp(-(3.7280e+04_pr)/(8.314_pr*Tloc)) k(r106b) = (1.45914702e+03_pr)*Tloc**(1.90_pr)*& exp(-(1.2574e+05_pr)/(8.314_pr*Tloc)) k(r110b) = (9.42021919e+09_pr)*Tloc**(-0.85_pr)*& exp(-(-8.3715e+03_pr)/(8.314_pr*Tloc)) k(r114b) = (1.41155230e-01_pr)*Tloc**(2.48_pr)*& exp(-(-1.6853e+03_pr)/(8.314_pr*Tloc)) k(r115b) = (4.20494281e+01_pr)*Tloc**(1.84_pr)*& exp(-(8.9632e+04_pr)/(8.314_pr*Tloc)) k(r116b) = (4.46155001e-01_pr)*Tloc**(2.40_pr)*& exp(-(1.0617e+05_pr)/(8.314_pr*Tloc)) k118b_0 = (6.15094823e+61_pr)*Tloc**(-13.48_pr)*& exp(-(4.7310e+05_pr)/(8.314_pr*Tloc)) k118b_inf = (3.60125775e+22_pr)*Tloc**(-1.54_pr)* & exp(-(4.3222e+05_pr)/(8.314_pr*Tloc)) FC118b = (8.250e-01_pr)* & exp(-Tloc/(1.341e+03_pr)) + (1.750e-01_pr)* & exp(-Tloc/(6.000e+04_pr)) + (1.000e+00_pr)* & exp(-(1.014e+04_pr)/Tloc) k(r118b) = & getlindratecoeff & (Tloc, k118b_0, k118b_inf, FC118b, M(mM30), Ploc ) k(r120b) = (8.33326313e+00_pr)*Tloc**(1.43_pr)*& exp(-(5.6248e+04_pr)/(8.314_pr*Tloc)) k(r123b) = (5.34069382e+26_pr)*Tloc**(-4.71_pr)*& exp(-(1.4189e+05_pr)/(8.314_pr*Tloc)) k124b_0 = (1.08647875e+27_pr)*Tloc**(-4.04_pr)*& exp(-(4.8064e+05_pr)/(8.314_pr*Tloc)) k124b_inf = (4.71842201e+15_pr)*Tloc**(0.09_pr)* & exp(-(4.6792e+05_pr)/(8.314_pr*Tloc)) FC124b = (2.180e-01_pr)* & exp(-Tloc/(2.075e+02_pr)) + (7.820e-01_pr)* & exp(-Tloc/(2.663e+03_pr)) + (1.000e+00_pr)* & exp(-(6.095e+03_pr)/Tloc) k(r124b) = & getlindratecoeff & (Tloc, k124b_0, k124b_inf, FC124b, M(mM29), Ploc ) k131b_0 = (8.94538033e+15_pr)*Tloc**(-3.54_pr)*& exp(-(2.8311e+03_pr)/(8.314_pr*Tloc)) k131b_inf = (1.34616640e+03_pr)*Tloc**(1.48_pr)* & exp(-(8.0311e+03_pr)/(8.314_pr*Tloc)) FC131b = (-9.820e-01_pr)* & exp(-Tloc/(5.384e+03_pr)) + (1.982e+00_pr)* & exp(-Tloc/(4.293e+00_pr)) + (1.000e+00_pr)* & exp(-(-7.950e-02_pr)/Tloc) k(r131b) = & getlindratecoeff & (Tloc, k131b_0, k131b_inf, FC131b, M(mM24), Ploc ) k(r132b) = (2.44940059e+18_pr)*Tloc**(-1.67_pr)*& exp(-(1.3826e+05_pr)/(8.314_pr*Tloc)) k(r135b) = (1.28467552e+15_pr)*Tloc**(-1.91_pr)*& exp(-(8.6650e+04_pr)/(8.314_pr*Tloc)) k(r136b) = (2.25429839e+15_pr)*Tloc**(-1.97_pr)*& exp(-(9.8830e+04_pr)/(8.314_pr*Tloc)) k(r137b) = (1.76462743e-02_pr)*Tloc**(2.41_pr)*& exp(-(2.0637e+04_pr)/(8.314_pr*Tloc)) k(r138b) = (3.20500095e-03_pr)*Tloc**(2.37_pr)*& exp(-(-2.3972e+04_pr)/(8.314_pr*Tloc)) k(r139b) = (3.59661406e+00_pr)*Tloc**(2.11_pr)*& exp(-(1.1905e+05_pr)/(8.314_pr*Tloc)) k(r140b) = (2.08409256e-01_pr)*Tloc**(1.94_pr)*& exp(-(1.4284e+04_pr)/(8.314_pr*Tloc)) k141b_0 = (4.68543999e+33_pr)*Tloc**(-6.79_pr)*& exp(-(1.7563e+05_pr)/(8.314_pr*Tloc)) k141b_inf = (3.15984039e+09_pr)*Tloc**(1.31_pr)* & exp(-(1.5715e+05_pr)/(8.314_pr*Tloc)) FC141b = (1.569e+00_pr)* & exp(-Tloc/(2.990e+02_pr)) + (-5.690e-01_pr)* & exp(-Tloc/(9.147e+03_pr)) + (1.000e+00_pr)* & exp(-(-1.524e+02_pr)/Tloc) k(r141b) = & getlindratecoeff & (Tloc, k141b_0, k141b_inf, FC141b, M(mM36), Ploc ) k(r142b) = (1.56285114e-02_pr)*Tloc**(2.39_pr)*& exp(-(4.0044e+04_pr)/(8.314_pr*Tloc)) k(r143b) = (1.54288025e+04_pr)*Tloc**(0.11_pr)*& exp(-(5.3336e+04_pr)/(8.314_pr*Tloc)) k148b_0 = (3.40647488e+38_pr)*Tloc**(-7.33_pr)*& exp(-(4.4987e+05_pr)/(8.314_pr*Tloc)) k148b_inf = (8.91845935e+20_pr)*Tloc**(-1.24_pr)* & exp(-(4.2851e+05_pr)/(8.314_pr*Tloc)) FC148b = (1.578e-01_pr)* & exp(-Tloc/(1.250e+02_pr)) + (8.422e-01_pr)* & exp(-Tloc/(2.219e+03_pr)) + (1.000e+00_pr)* & exp(-(6.882e+03_pr)/Tloc) k(r148b) = & getlindratecoeff & (Tloc, k148b_0, k148b_inf, FC148b, M(mM37), Ploc ) k(r154b) = (6.96721901e-03_pr)*Tloc**(2.58_pr)*& exp(-(7.8077e+04_pr)/(8.314_pr*Tloc)) k(r156b) = (1.81461290e-02_pr)*Tloc**(2.48_pr)*& exp(-(4.2820e+04_pr)/(8.314_pr*Tloc)) k(r163b) = (1.34398568e+02_pr)*Tloc**(1.54_pr)*& exp(-(7.1907e+04_pr)/(8.314_pr*Tloc)) k(r165b) = (3.98928113e+03_pr)*Tloc**(0.58_pr)*& exp(-(1.4437e+04_pr)/(8.314_pr*Tloc)) k(r167b) = (6.11955446e+04_pr)*Tloc**(0.50_pr)*& exp(-(5.8541e+04_pr)/(8.314_pr*Tloc)) k(r168b) = (3.27083396e+04_pr)*Tloc**(0.62_pr)*& exp(-(2.0516e+04_pr)/(8.314_pr*Tloc)) k169b_0 = (4.89146442e+35_pr)*Tloc**(-7.63_pr)*& exp(-(2.0537e+05_pr)/(8.314_pr*Tloc)) k169b_inf = (4.24785068e+14_pr)*Tloc**(-0.05_pr)* & exp(-(1.9114e+05_pr)/(8.314_pr*Tloc)) FC169b = (6.630e-01_pr)* & exp(-Tloc/(1.707e+03_pr)) + (3.370e-01_pr)* & exp(-Tloc/(3.200e+03_pr)) + (1.000e+00_pr)* & exp(-(4.131e+03_pr)/Tloc) k(r169b) = & getlindratecoeff & (Tloc, k169b_0, k169b_inf, FC169b, M(mM28), Ploc ) k(r170b) = (4.79804484e-04_pr)*Tloc**(2.99_pr)*& exp(-(1.3859e+05_pr)/(8.314_pr*Tloc)) k(r174b) = (1.93941875e+05_pr)*Tloc**(-0.05_pr)*& exp(-(4.9238e+04_pr)/(8.314_pr*Tloc)) k(r177b) = (1.43735169e+02_pr)*Tloc**(1.30_pr)*& exp(-(3.7651e+04_pr)/(8.314_pr*Tloc)) k(r179b) = (6.03518455e+06_pr)*Tloc**(0.38_pr)*& exp(-(1.6341e+05_pr)/(8.314_pr*Tloc)) k180b_0 = (5.86829676e+61_pr)*Tloc**(-14.13_pr)*& exp(-(3.5027e+05_pr)/(8.314_pr*Tloc)) k180b_inf = (1.50084316e+21_pr)*Tloc**(-1.64_pr)* & exp(-(3.2302e+05_pr)/(8.314_pr*Tloc)) FC180b = (8.960e-01_pr)* & exp(-Tloc/(1.606e+03_pr)) + (1.040e-01_pr)* & exp(-Tloc/(6.000e+04_pr)) + (1.000e+00_pr)* & exp(-(6.118e+03_pr)/Tloc) k(r180b) = & getlindratecoeff & (Tloc, k180b_0, k180b_inf, FC180b, M(mM42), Ploc ) k181b_0 = (5.38095569e+54_pr)*Tloc**(-11.66_pr)*& exp(-(3.9320e+05_pr)/(8.314_pr*Tloc)) k181b_inf = (8.09166270e+14_pr)*Tloc**(0.34_pr)* & exp(-(3.6823e+05_pr)/(8.314_pr*Tloc)) FC181b = (9.800e-01_pr)* & exp(-Tloc/(1.097e+03_pr)) + (2.000e-02_pr)* & exp(-Tloc/(1.097e+03_pr)) + (1.000e+00_pr)* & exp(-(6.860e+03_pr)/Tloc) k(r181b) = & getlindratecoeff & (Tloc, k181b_0, k181b_inf, FC181b, M(mM41), Ploc ) k184b_0 = (2.50322114e+33_pr)*Tloc**(-6.97_pr)*& exp(-(1.6986e+05_pr)/(8.314_pr*Tloc)) k184b_inf = (5.31834523e+13_pr)*Tloc**(-0.31_pr)* & exp(-(1.5421e+05_pr)/(8.314_pr*Tloc)) FC184b = (0.000e+00_pr)* & exp(-Tloc/(1.000e+03_pr)) + (1.000e+00_pr)* & exp(-Tloc/(1.310e+03_pr)) + (1.000e+00_pr)* & exp(-(4.810e+04_pr)/Tloc) k(r184b) = & getlindratecoeff & (Tloc, k184b_0, k184b_inf, FC184b, M(mM43), Ploc ) k(r186b) = (4.30991785e+09_pr)*Tloc**(-1.03_pr)*& exp(-(8.1307e+04_pr)/(8.314_pr*Tloc)) k(r187b) = (1.15498567e-02_pr)*Tloc**(2.49_pr)*& exp(-(7.5397e+04_pr)/(8.314_pr*Tloc)) k(r189b) = (2.50161753e+08_pr)*Tloc**(-0.56_pr)*& exp(-(8.4622e+04_pr)/(8.314_pr*Tloc)) k(r193b) = (2.58144118e+00_pr)*Tloc**(1.87_pr)*& exp(-(1.2686e+05_pr)/(8.314_pr*Tloc)) k(r195b) = (4.01343729e+04_pr)*Tloc**(0.27_pr)*& exp(-(6.4250e+04_pr)/(8.314_pr*Tloc)) k(r201b) = (2.27326071e+15_pr)*Tloc**(-2.42_pr)*& exp(-(6.1395e+04_pr)/(8.314_pr*Tloc)) k(r210b) = (1.04701456e+48_pr)*Tloc**(-12.17_pr)*& exp(-(9.4406e+04_pr)/(8.314_pr*Tloc)) k(r211b) = (8.62625799e+09_pr)*Tloc**(-0.73_pr)*& exp(-(9.0892e+04_pr)/(8.314_pr*Tloc)) k(r212b) = (3.49779795e-04_pr)*Tloc**(2.99_pr)*& exp(-(3.7427e+04_pr)/(8.314_pr*Tloc)) k(r219b) = (3.75880973e+08_pr)*Tloc**(-0.55_pr)*& exp(-(8.8596e+04_pr)/(8.314_pr*Tloc)) k(r362b) = (1.05285655e+07_pr)*Tloc**(-0.06_pr)*& exp(-(3.9790e+04_pr)/(8.314_pr*Tloc)) end subroutine get_rate_coefficients ! --- Reaction rates --- ! subroutine get_reaction_rates(w,k,m,c,cqss) implicit none real(pr), dimension(nspec) :: c real(pr), dimension(nqss) :: cqss real(pr), dimension(nreac) :: w,k real(pr), dimension(38) :: m w(r1) = k(r1) * c(sH)**2_pr * m(mM1) w(r2f) = k(r2f) * c(sO) * c(sH) * m(mM3) w(r3) = k(r3) * c(sO)**2_pr * m(mM4) w(r4f) = k(r4f) * c(sO) * c(sH2) w(r5f) = k(r5f) * c(sOH)**2_pr w(r6f) = k(r6f) * c(sOH) * c(sH2) w(r7f) = k(r7f) * c(sH) * c(sOH) * m(mM2) w(r8f) = k(r8f) * c(sOH)**2_pr w(r9) = k(r9) * c(sH)**2_pr * c(sH2O) w(r10f) = k(r10f) * c(sH) * c(sO2) w(r11f) = k(r11f) * c(sH) * c(sO2) w(r12f) = k(r12f) * c(sH2) * c(sO2) w(r13f) = k(r13f) * c(sHO2) * c(sH) w(r14f) = k(r14f) * c(sOH) * c(sHO2) w(r15f) = k(r15f) * c(sOH) * c(sHO2) w(r16f) = k(r16f) * c(sHO2) * c(sO) w(r17f) = k(r17f) * c(sOH) * c(sHO2) w(r18) = k(r18) * c(sOH) * c(sHO2) w(r19) = k(r19) * c(sHO2) * c(sH) w(r20f) = k(r20f) * c(sHO2)**2_pr w(r21) = k(r21) * c(sHO2)**2_pr w(r22f) = k(r22f) * cqss(sH2O2-nspec) * c(sH) w(r23) = k(r23) * cqss(sH2O2-nspec) * c(sO) w(r24f) = k(r24f) * cqss(sH2O2-nspec) * c(sOH) w(r25) = k(r25) * cqss(sH2O2-nspec) * c(sH) w(r26f) = k(r26f) * cqss(sH2O2-nspec) * c(sOH) w(r27f) = k(r27f) * cqss(sCH-nspec) * c(sH2) w(r28) = k(r28) * cqss(sCH-nspec) * c(sO) w(r29) = k(r29) * cqss(sCH-nspec) * c(sOH) w(r30) = k(r30) * cqss(sCH-nspec) * c(sO2) w(r31) = k(r31) * cqss(sCH-nspec) * c(sH2O) w(r32f) = k(r32f) * cqss(sCH2-nspec) * c(sH2) w(r34) = k(r34) * cqss(sCH2-nspec) * c(sO) w(r35) = k(r35) * cqss(sCH2-nspec) * c(sOH) w(r37) = k(r37) * cqss(sCH2-nspec) * c(sO2) w(r38) = k(r38) * cqss(sCH2-nspec) * c(sH) w(r39f) = k(r39f) * cqss(sCH2-nspec) * c(sOH) w(r40) = k(r40) * cqss(sCH2-nspec) * c(sHO2) w(r41) = k(r41) * cqss(sCH2-nspec) * c(sO2) w(r42) = k(r42) * cqss(sCH2DXCH2-nspec) * c(sO) w(r43) = k(r43) * cqss(sCH2DXCH2-nspec) * c(sO2) w(r44) = k(r44) * cqss(sCH2DXCH2-nspec) * c(sOH) w(r45f) = k(r45f) * cqss(sCH2DXCH2-nspec) * c(sH) w(r46) = k(r46) * cqss(sCH2DXCH2-nspec) * c(sO2) w(r47) = k(r47) * cqss(sCH2DXCH2-nspec) * c(sO) w(r48f) = k(r48f) * cqss(sCH2DXCH2-nspec) * c(sH2O) w(r49f) = k(r49f) * cqss(sCH2DXCH2-nspec) * c(sH2) w(r50f) = k(r50f) * c(sCH3) * c(sH) w(r51f) = k(r51f) * c(sCH3) * c(sOH) w(r52) = k(r52) * c(sCH3) * c(sO2) w(r53f) = k(r53f) * c(sCH3) * c(sOH) w(r54f) = k(r54f) * c(sCH3)**2_pr w(r55f) = k(r55f) * c(sCH3)**2_pr w(r56) = k(r56) * c(sCH3) * cqss(sCH2-nspec) w(r57) = k(r57) * c(sCH3) * cqss(sCH2DXCH2-nspec) w(r58) = k(r58) * c(sCH3) * cqss(sCH-nspec) w(r59) = k(r59) * c(sCH3) * c(sHO2) w(r60f) = k(r60f) * c(sCH3) * cqss(sH2O2-nspec) w(r61) = k(r61) * c(sCH3) * c(sHO2) w(r62) = k(r62) * c(sCH3) * c(sO) w(r63f) = k(r63f) * c(sCH3) * c(sO2) w(r64f) = k(r64f) * c(sCH4) * c(sOH) w(r65f) = k(r65f) * c(sCH4) * cqss(sCH2DXCH2-nspec) w(r66) = k(r66) * c(sCH4) * cqss(sCH-nspec) w(r67f) = k(r67f) * c(sCH4) * c(sO) w(r68f) = k(r68f) * c(sCH4) * c(sH) w(r69f) = k(r69f) * c(sCH4) * cqss(sCH2-nspec) w(r70f) = k(r70f) * cqss(sCH2DXCH2-nspec) * c(sCO) w(r71f) = k(r71f) * cqss(sCH-nspec) * c(sCO) w(r72f) = k(r72f) * c(sCO) * c(sOH) w(r73f) = k(r73f) * c(sCO) * c(sO) w(r74f) = k(r74f) * cqss(sCH2-nspec) * c(sCO) w(r75f) = k(r75f) * c(sCO) * c(sO2) w(r76f) = k(r76f) * c(sCO) * c(sOH) w(r77) = k(r77) * c(sCO) * c(sHO2) w(r78) = k(r78) * cqss(sHCO-nspec) * c(sO) w(r79) = k(r79) * cqss(sHCO-nspec) * c(sO2) w(r80f) = k(r80f) * cqss(sHCO-nspec) * m(mM8) w(r81f) = k(r81f) * cqss(sHCO-nspec) * c(sH) w(r82) = k(r82) * cqss(sHCO-nspec) * c(sOH) w(r83) = k(r83) * c(sCH3) * cqss(sHCO-nspec) w(r84f) = k(r84f) * cqss(sHCO-nspec) * c(sH2O) w(r85) = k(r85) * cqss(sHCO-nspec) * c(sO) w(r86f) = k(r86f) * cqss(sHCO-nspec) * c(sH) w(r87) = k(r87) * c(sCH2O) * cqss(sCH-nspec) w(r88f) = k(r88f) * c(sCH2O) * c(sH) w(r89f) = k(r89f) * c(sCH2O) * c(sO2) w(r90) = k(r90) * c(sCH2O) * c(sO) w(r91f) = k(r91f) * c(sCH2O) * c(sH) w(r92) = k(r92) * c(sCH3) * c(sCH2O) w(r93) = k(r93) * c(sCH2O) * c(sHO2) w(r94) = k(r94) * c(sCH2O) * c(sOH) w(r95) = k(r95) * c(sCH2O) w(r96f) = k(r96f) * cqss(sCH3O-nspec) * c(sH) w(r97) = k(r97) * cqss(sCH3O-nspec) * c(sOH) w(r98) = k(r98) * cqss(sCH3O-nspec) * c(sO2) w(r99f) = k(r99f) * cqss(sCH3O-nspec) * c(sH) w(r100) = k(r100) * cqss(sCH3O-nspec) * c(sO) w(r101) = k(r101) * cqss(sCH3O-nspec) * c(sH) w(r102) = k(r102) * cqss(sCH-nspec) * c(sCO2) w(r103) = k(r103) * cqss(sCH2DXCH2-nspec) * c(sCO2) w(r104f) = k(r104f) * cqss(sCH2DXCH2-nspec) * c(sCO2) w(r105) = k(r105) * cqss(sC2H-nspec) * c(sO2) w(r106f) = k(r106f) * cqss(sC2H-nspec) * c(sH2) w(r107) = k(r107) * cqss(sC2H-nspec) * c(sH) w(r108) = k(r108) * cqss(sC2H-nspec) * c(sOH) w(r109) = k(r109) * cqss(sC2H-nspec) * c(sO) w(r110f) = k(r110f) * c(sC2H2) * c(sO) w(r111) = k(r111) * c(sC2H2) * c(sO) w(r112) = k(r112) * c(sC2H2) * c(sOH) w(r113) = k(r113) * c(sC2H2) * c(sOH) w(r114f) = k(r114f) * c(sC2H2) * c(sOH) w(r115f) = k(r115f) * c(sC2H2) * c(sO) w(r116f) = k(r116f) * c(sC2H2) * cqss(sHCO-nspec) w(r117) = k(r117) * c(sHO2) * cqss(sC2H3-nspec) w(r118f) = k(r118f) * cqss(sC2H3-nspec) * c(sCH3) w(r119) = k(r119) * cqss(sC2H3-nspec) * c(sO2) w(r120f) = k(r120f) * cqss(sC2H3-nspec) * c(sO2) w(r121) = k(r121) * cqss(sC2H3-nspec) * c(sCH3) w(r122) = k(r122) * cqss(sC2H3-nspec) * c(sO) w(r123f) = k(r123f) * cqss(sC2H3-nspec) * c(sCH3) w(r124f) = k(r124f) * cqss(sC2H3-nspec) * c(sH) w(r125) = k(r125) * cqss(sC2H3-nspec) * c(sO) w(r127) = k(r127) * cqss(sC2H3-nspec) * c(sOH) w(r128) = k(r128) * cqss(sC2H3-nspec) * c(sO2) w(r129) = k(r129) * cqss(sC2H3-nspec) * c(sHO2) w(r130) = k(r130) * cqss(sC2H3-nspec) * c(sH) w(r131f) = k(r131f) * cqss(sC2H3-nspec) w(r132f) = k(r132f) * c(sC2H4) * c(sCH3) w(r133) = k(r133) * c(sC2H4) * c(sO) w(r134) = k(r134) * c(sC2H4) * c(sO) w(r135f) = k(r135f) * c(sC2H4) * cqss(sCH2-nspec) w(r136f) = k(r136f) * c(sC2H4) * cqss(sCH2DXCH2-nspec) w(r137f) = k(r137f) * c(sC2H4) * c(sH) w(r138f) = k(r138f) * c(sC2H4) * c(sO) w(r139f) = k(r139f) * c(sC2H4) * cqss(sHCO-nspec) w(r140f) = k(r140f) * c(sC2H4) * c(sCH3) w(r141f) = k(r141f) * c(sC2H4) * c(sH) w(r142f) = k(r142f) * c(sC2H4) * c(sOH) w(r143f) = k(r143f) * cqss(sC2H5-nspec) * c(sO2) w(r145) = k(r145) * cqss(sC2H5-nspec) * c(sHO2) w(r146) = k(r146) * cqss(sC2H5-nspec) * c(sO) w(r147) = k(r147) * cqss(sC2H5-nspec) * c(sH) w(r148f) = k(r148f) * cqss(sC2H5-nspec) * c(sH) w(r150) = k(r150) * cqss(sC2H5-nspec) * c(sHO2) w(r151) = k(r151) * cqss(sC2H5-nspec) * c(sHO2) w(r152) = k(r152) * c(sHO2) * c(sC2H6) w(r153) = k(r153) * c(sC2H6) * c(sO) w(r154f) = k(r154f) * c(sC2H6) * c(sOH) w(r155) = k(r155) * c(sC2H6) * c(sCH3) w(r156f) = k(r156f) * c(sC2H6) * c(sH) w(r157) = k(r157) * c(sC2H6) * cqss(sCH2DXCH2-nspec) w(r159) = k(r159) * cqss(sHCCO-nspec) * c(sO) w(r160) = k(r160) * c(sCH3) * cqss(sHCCO-nspec) w(r162) = k(r162) * cqss(sHCCO-nspec) * c(sO2) w(r163f) = k(r163f) * cqss(sHCCO-nspec) * c(sH) w(r165f) = k(r165f) * c(sCH2CO) * c(sO) w(r166) = k(r166) * c(sCH2CO) * c(sO) w(r167f) = k(r167f) * c(sCH2CO) * c(sOH) w(r168f) = k(r168f) * c(sCH2CO) * c(sH) w(r169f) = k(r169f) * c(sCH2CO) * c(sH) w(r170f) = k(r170f) * c(sCH2CO) * c(sH) w(r171) = k(r171) * cqss(sCH2CHO-nspec) * c(sH) w(r172) = k(r172) * cqss(sCH2CHO-nspec) w(r173) = k(r173) * cqss(sCH2CHO-nspec) * c(sOH) w(r174f) = k(r174f) * cqss(sCH2CHO-nspec) * c(sO2) w(r175) = k(r175) * cqss(sCH2CHO-nspec) * c(sO2) w(r176) = k(r176) * cqss(sCH2CHO-nspec) * c(sO) w(r177f) = k(r177f) * cqss(sCH2CHO-nspec) * c(sH) w(r179f) = k(r179f) * cqss(sAXC3H5-nspec) * c(sHO2) w(r180f) = k(r180f) * cqss(sAXC3H5-nspec) * c(sCH3) w(r181f) = k(r181f) * cqss(sAXC3H5-nspec) * c(sH) w(r182) = k(r182) * cqss(sAXC3H5-nspec) * c(sHO2) w(r183) = k(r183) * cqss(sAXC3H5-nspec) w(r184f) = k(r184f) * c(sC3H6) * c(sH) w(r185) = k(r185) * c(sC3H6) * c(sHO2) w(r186f) = k(r186f) * c(sC3H6) * c(sH) w(r187f) = k(r187f) * c(sC3H6) * c(sH) w(r188) = k(r188) * c(sC3H6) * c(sO) w(r189f) = k(r189f) * c(sC3H6) * cqss(sC2H3-nspec) w(r190) = k(r190) * c(sC3H6) * c(sO) w(r191) = k(r191) * c(sC3H6) * c(sO) w(r192) = k(r192) * c(sC3H6) * c(sCH3) w(r193f) = k(r193f) * c(sC3H6) * c(sOH) w(r194) = k(r194) * cqss(sNXC3H7-nspec) * c(sOH) w(r195f) = k(r195f) * cqss(sNXC3H7-nspec) * c(sO2) w(r196) = k(r196) * cqss(sNXC3H7-nspec) * c(sCH3) w(r197) = k(r197) * cqss(sNXC3H7-nspec) * c(sH) w(r198) = k(r198) * cqss(sNXC3H7-nspec) * c(sHO2) w(r199) = k(r199) * cqss(sNXC3H7-nspec) * c(sO) w(r200) = k(r200) * cqss(sNXC3H7-nspec) * c(sH) w(r201f) = k(r201f) * c(sC4H6) * c(sH) w(r203) = k(r203) * cqss(sC4H7-nspec) * c(sH) w(r204) = k(r204) * cqss(sC4H7-nspec) * c(sHO2) w(r205) = k(r205) * cqss(sC4H7-nspec) * c(sCH3) w(r206) = k(r206) * cqss(sC4H7-nspec) * c(sH) w(r207) = k(r207) * cqss(sC4H7-nspec) w(r208) = k(r208) * cqss(sC4H7-nspec) * c(sO2) w(r209) = k(r209) * cqss(sC4H7-nspec) * c(sH) w(r210f) = k(r210f) * cqss(sC4H7-nspec) w(r211f) = k(r211f) * c(sC4H81XC4H8) * c(sH) w(r212f) = k(r212f) * c(sC4H81XC4H8) * c(sH) w(r213) = k(r213) * c(sC4H81XC4H8) * c(sO) w(r214) = k(r214) * c(sC4H81XC4H8) * c(sHO2) w(r215) = k(r215) * c(sC4H81XC4H8) * c(sOH) w(r216) = k(r216) * c(sC4H81XC4H8) * c(sO) w(r217) = k(r217) * c(sC4H81XC4H8) * c(sO) w(r218) = k(r218) * c(sC4H81XC4H8) * c(sCH3) w(r219f) = k(r219f) * c(sC4H81XC4H8) * c(sH) w(r220) = k(r220) * c(sC5H10) * c(sH) w(r222) = k(r222) * c(sC5H10) * c(sH) w(r223) = k(r223) * c(sC5H10) * c(sH) w(r225) = k(r225) * c(sC6H12) * c(sH) w(r226) = k(r226) * c(sC6H12) * c(sO) w(r227) = k(r227) * c(sC6H12) * c(sH) w(r228) = k(r228) * c(sNXC12H26) * c(sO) w(r229) = k(r229) * c(sNXC12H26) * c(sCH3) w(r230) = k(r230) * c(sNXC12H26) * c(sHO2) w(r231) = k(r231) * c(sNXC12H26) w(r232) = k(r232) * c(sNXC12H26) * c(sCH3) w(r233) = k(r233) * c(sNXC12H26) * c(sO) w(r234) = k(r234) * c(sNXC12H26) w(r235) = k(r235) * c(sNXC12H26) * c(sOH) w(r236) = k(r236) * c(sNXC12H26) w(r237) = k(r237) * c(sNXC12H26) * c(sH) w(r238) = k(r238) * c(sNXC12H26) w(r239) = k(r239) * c(sNXC12H26) * c(sH) w(r240) = k(r240) * c(sNXC12H26) * c(sOH) w(r241) = k(r241) * c(sNXC12H26) * c(sHO2) w(r242) = k(r242) * c(sNXC12H26) * c(sOH) w(r243) = k(r243) * c(sNXC12H26) * c(sO2) w(r244) = k(r244) * c(sNXC12H26) * c(sCH3) w(r245) = k(r245) * c(sNXC12H26) * c(sO) w(r246) = k(r246) * c(sNXC12H26) * c(sHO2) w(r247) = k(r247) * c(sNXC12H26) * c(sH) w(r248) = k(r248) * c(sNXC12H26) * c(sO2) w(r249) = k(r249) * cqss(sN-nspec) * c(sOH) w(r250) = k(r250) * cqss(sN-nspec) * c(sH2) w(r251) = k(r251) * cqss(sN-nspec) * c(sCO2) w(r253) = k(r253) * cqss(sN-nspec) * c(sCO) * m(mM81) w(r254) = k(r254) * cqss(sN-nspec) * c(sO2) w(r257) = k(r257) * cqss(sN-nspec) * c(sH2O) w(r258) = k(r258) * cqss(sNH-nspec) * c(sO) w(r259) = k(r259) * cqss(sNH-nspec) * c(sOH) w(r260) = k(r260) * cqss(sNH-nspec) * c(sCO) w(r261) = k(r261) * cqss(sNH-nspec) * c(sCO) * m(mM79) w(r262) = k(r262) * cqss(sNH-nspec) * c(sOH) w(r263) = k(r263) * cqss(sNH-nspec) * c(sOH) w(r264) = k(r264) * cqss(sNH-nspec) * c(sH2O) w(r265) = k(r265) * cqss(sNH-nspec) * c(sO2) w(r266) = k(r266) * cqss(sNH-nspec) * c(sH2) w(r267) = k(r267) * cqss(sNH-nspec) * c(sO2) w(r268) = k(r268) * cqss(sNH-nspec) * c(sH) w(r269) = k(r269) * cqss(sNH2-nspec) * c(sCO) w(r270) = k(r270) * cqss(sNH2-nspec) * c(sO) w(r272) = k(r272) * cqss(sNH2-nspec) * c(sOH) w(r273) = k(r273) * cqss(sNH2-nspec) * c(sO) w(r274) = k(r274) * cqss(sNH2-nspec) * c(sH) w(r275) = k(r275) * c(sNO) * c(sO2) w(r276) = k(r276) * cqss(sN-nspec) * c(sNO) w(r277) = k(r277) * c(sC2H2) * c(sNO) w(r278) = k(r278) * c(sNO) * c(sOH) w(r279) = k(r279) * cqss(sHCCO-nspec) * c(sNO) w(r280) = k(r280) * c(sNO) * c(sHO2) w(r281) = k(r281) * c(sHO2) * c(sNO) w(r282) = k(r282) * cqss(sCH-nspec) * c(sNO) w(r283) = k(r283) * c(sNO) * c(sO) w(r284) = k(r284) * c(sNO) * c(sOH) w(r285) = k(r285) * c(sH2) * c(sNO) w(r286) = k(r286) * c(sCO2) * c(sNO) w(r287) = k(r287) * cqss(sCH2-nspec) * c(sNO) w(r288) = k(r288) * cqss(sCH-nspec) * c(sNO) w(r289) = k(r289) * cqss(sCH2DXCH2-nspec) * c(sNO) w(r290) = k(r290) * c(sNO) * c(sH) w(r291) = k(r291) * c(sNO) * cqss(sC2H3-nspec) w(r292) = k(r292) * cqss(sCH-nspec) * c(sNO) w(r293) = k(r293) * c(sNO) * c(sH2O) w(r294) = k(r294) * c(sNO) * c(sO) * m(mM70) w(r295) = k(r295) * c(sNO) * c(sCO) w(r296) = k(r296) * c(sNO) * c(sH) w(r297) = k(r297) * c(sNO) * c(sH) * m(mM68) w(r298) = k(r298) * cqss(sNH-nspec) * c(sNO) w(r299) = k(r299) * cqss(sNH2-nspec) * c(sNO) w(r300) = k(r300) * c(sCH3) * c(sNO) w(r301) = k(r301) * c(sNO) * cqss(sHCO-nspec) w(r302) = k(r302) * cqss(sNH-nspec) * c(sNO) w(r303) = k(r303) * cqss(sHNO-nspec) * c(sH) w(r304) = k(r304) * cqss(sHNO-nspec) * c(sO) w(r305) = k(r305) * cqss(sHNO-nspec) * c(sO) w(r306) = k(r306) * cqss(sHNO-nspec) * c(sH) w(r307) = k(r307) * cqss(sHNO-nspec) * c(sOH) w(r308) = k(r308) * c(sC2H2) * cqss(sHNO-nspec) w(r309) = k(r309) * cqss(sHNO-nspec) * c(sO2) w(r310) = k(r310) * cqss(sHNO-nspec) * m(mM69) w(r311) = k(r311) * cqss(sHNO-nspec) * c(sCO) w(r312) = k(r312) * c(sNO2) * m(mM71) w(r313) = k(r313) * cqss(sNH2-nspec) * c(sNO2) w(r314) = k(r314) * c(sNO2) * cqss(sCH2-nspec) w(r315) = k(r315) * c(sNO2) * c(sCO) w(r316) = k(r316) * c(sNO2) * c(sO) w(r317) = k(r317) * cqss(sNH-nspec) * c(sNO2) w(r318) = k(r318) * c(sNO2) * cqss(sHCO-nspec) w(r319) = k(r319) * c(sNO2) * c(sH) w(r320) = k(r320) * c(sNO2) * c(sOH) w(r321) = k(r321) * c(sHCN) * c(sO) w(r322) = k(r322) * c(sHCN) * cqss(sN-nspec) w(r323) = k(r323) * c(sHCN) * c(sOH) w(r324) = k(r324) * c(sHCN) * c(sO) w(r325) = k(r325) * c(sHCN) * c(sOH) w(r326) = k(r326) * cqss(sNCO-nspec) * c(sC2H2) w(r327) = k(r327) * cqss(sNCO-nspec) * c(sOH) w(r328) = k(r328) * cqss(sNCO-nspec) * c(sO2) w(r329) = k(r329) * cqss(sNCO-nspec) * c(sNO) w(r330) = k(r330) * cqss(sNCO-nspec) * c(sNO) w(r331) = k(r331) * cqss(sNCO-nspec) * c(sH) w(r332) = k(r332) * cqss(sNCO-nspec) * m(mM80) w(r334) = k(r334) * cqss(sNCO-nspec) * c(sH2) w(r335) = k(r335) * cqss(sNCO-nspec) * c(sCH2O) w(r336) = k(r336) * cqss(sNCO-nspec) * c(sOH) w(r337) = k(r337) * cqss(sNCO-nspec) * c(sC2H6) w(r338) = k(r338) * cqss(sNCO-nspec) * c(sH) w(r339) = k(r339) * cqss(sNCO-nspec) * c(sH2O) w(r340) = k(r340) * cqss(sNCO-nspec) * c(sHO2) w(r341) = k(r341) * cqss(sNCO-nspec) * c(sCH4) w(r342) = k(r342) * cqss(sNCO-nspec) * c(sO) w(r343) = k(r343) * cqss(sHNCO-nspec) * c(sH) w(r344) = k(r344) * cqss(sHNCO-nspec) * c(sO) w(r345) = k(r345) * cqss(sHNCO-nspec) * c(sH) w(r346) = k(r346) * cqss(sHNCO-nspec) * c(sOH) w(r347) = k(r347) * cqss(sHNCO-nspec) * c(sO) w(r348) = k(r348) * cqss(sHNCO-nspec) * m(mM78) w(r349) = k(r349) * c(sCH3) * cqss(sHNCO-nspec) w(r350) = k(r350) * cqss(sHNCO-nspec) * c(sH) w(r351) = k(r351) * c(sN2) * c(sO2) w(r352) = k(r352) * c(sN2) * c(sOH) w(r353) = k(r353) * c(sNO) * c(sH) * c(sN2) w(r354) = k(r354) * c(sN2) * c(sO) * m(mM77) w(r355) = k(r355) * cqss(sHNO-nspec) * c(sN2) w(r356) = k(r356) * c(sN2) * c(sO) w(r357) = k(r357) * c(sN2) * c(sHO2) w(r358) = k(r358) * c(sN2) * c(sH2O) w(r359) = k(r359) * c(sN2) * cqss(sCH-nspec) w(r360) = k(r360) * c(sN2) * c(sOH) w(r361) = k(r361) * c(sN2) * c(sCO2) w(r362f) = k(r362f) * cqss(sCH2DXCH2-nspec) * c(sN2) w(r363) = k(r363) * c(sN2O) * c(sO) w(r364) = k(r364) * c(sN2O) * c(sH) w(r365) = k(r365) * c(sN2O) * c(sH) w(r366) = k(r366) * c(sN2O) * cqss(sCH-nspec) w(r367) = k(r367) * c(sN2O) * c(sCO) w(r368) = k(r368) * c(sN2O) * m(mM76) w(r369) = k(r369) * c(sN2O) * c(sO) w(r370) = k(r370) * c(sN2O) * c(sOH) w(r2b) = k(r2b) * c(sOH) * m(mM3) w(r4b) = k(r4b) * c(sH) * c(sOH) w(r5b) = k(r5b) * cqss(sH2O2-nspec) w(r6b) = k(r6b) * c(sH) * c(sH2O) w(r7b) = k(r7b) * c(sH2O) * m(mM2) w(r8b) = k(r8b) * c(sO) * c(sH2O) w(r10b) = k(r10b) * c(sO) * c(sOH) w(r11b) = k(r11b) * c(sHO2) w(r12b) = k(r12b) * c(sHO2) * c(sH) w(r13b) = k(r13b) * c(sOH)**2_pr w(r14b) = k(r14b) * c(sH2O) * c(sO2) w(r15b) = k(r15b) * c(sH2O) * c(sO2) w(r16b) = k(r16b) * c(sOH) * c(sO2) w(r17b) = k(r17b) * c(sH2O) * c(sO2) w(r20b) = k(r20b) * c(sO2) * cqss(sH2O2-nspec) w(r22b) = k(r22b) * c(sHO2) * c(sH2) w(r24b) = k(r24b) * c(sHO2) * c(sH2O) w(r26b) = k(r26b) * c(sHO2) * c(sH2O) w(r27b) = k(r27b) * cqss(sCH2-nspec) * c(sH) w(r32b) = k(r32b) * c(sH) * c(sCH3) w(r39b) = k(r39b) * cqss(sCH-nspec) * c(sH2O) w(r45b) = k(r45b) * cqss(sCH-nspec) * c(sH2) w(r48b) = k(r48b) * cqss(sCH2-nspec) * c(sH2O) w(r49b) = k(r49b) * c(sCH3) * c(sH) w(r50b) = k(r50b) * c(sCH4) w(r51b) = k(r51b) * cqss(sCH2-nspec) * c(sH2O) w(r53b) = k(r53b) * cqss(sCH2DXCH2-nspec) * c(sH2O) w(r54b) = k(r54b) * c(sH) * cqss(sC2H5-nspec) w(r55b) = k(r55b) * c(sC2H6) w(r60b) = k(r60b) * c(sCH4) * c(sHO2) w(r63b) = k(r63b) * c(sO) * cqss(sCH3O-nspec) w(r64b) = k(r64b) * c(sCH3) * c(sH2O) w(r65b) = k(r65b) * c(sCH3)**2_pr w(r67b) = k(r67b) * c(sCH3) * c(sOH) w(r68b) = k(r68b) * c(sCH3) * c(sH2) w(r69b) = k(r69b) * c(sCH3)**2_pr w(r70b) = k(r70b) * cqss(sCH2-nspec) * c(sCO) w(r71b) = k(r71b) * cqss(sHCCO-nspec) w(r72b) = k(r72b) * c(sCO2) * c(sH) w(r73b) = k(r73b) * c(sCO2) w(r74b) = k(r74b) * c(sCH2CO) w(r75b) = k(r75b) * c(sCO2) * c(sO) w(r76b) = k(r76b) * c(sCO2) * c(sH) w(r80b) = k(r80b) * c(sCO) * c(sH) * m(mM8) w(r81b) = k(r81b) * c(sCH2O) w(r84b) = k(r84b) * c(sCO) * c(sH) * c(sH2O) w(r86b) = k(r86b) * c(sCO) * c(sH2) w(r88b) = k(r88b) * cqss(sHCO-nspec) * c(sH2) w(r89b) = k(r89b) * cqss(sHCO-nspec) * c(sHO2) w(r91b) = k(r91b) * cqss(sCH3O-nspec) w(r96b) = k(r96b) * c(sCH3) * c(sOH) w(r99b) = k(r99b) * cqss(sCH2DXCH2-nspec) * c(sH2O) w(r104b) = k(r104b) * cqss(sCH2-nspec) * c(sCO2) w(r106b) = k(r106b) * c(sH) * c(sC2H2) w(r110b) = k(r110b) * cqss(sC2H-nspec) * c(sOH) w(r114b) = k(r114b) * cqss(sC2H-nspec) * c(sH2O) w(r115b) = k(r115b) * cqss(sHCCO-nspec) * c(sH) w(r116b) = k(r116b) * cqss(sC2H3-nspec) * c(sCO) w(r118b) = k(r118b) * c(sC3H6) w(r120b) = k(r120b) * c(sC2H2) * c(sHO2) w(r123b) = k(r123b) * cqss(sAXC3H5-nspec) * c(sH) w(r124b) = k(r124b) * c(sC2H4) w(r131b) = k(r131b) * c(sC2H2) * c(sH) w(r132b) = k(r132b) * cqss(sNXC3H7-nspec) w(r135b) = k(r135b) * cqss(sAXC3H5-nspec) * c(sH) w(r136b) = k(r136b) * cqss(sAXC3H5-nspec) * c(sH) w(r137b) = k(r137b) * cqss(sC2H3-nspec) * c(sH2) w(r138b) = k(r138b) * cqss(sC2H3-nspec) * c(sOH) w(r139b) = k(r139b) * cqss(sC2H5-nspec) * c(sCO) w(r140b) = k(r140b) * cqss(sC2H3-nspec) * c(sCH4) w(r141b) = k(r141b) * cqss(sC2H5-nspec) w(r142b) = k(r142b) * cqss(sC2H3-nspec) * c(sH2O) w(r143b) = k(r143b) * c(sC2H4) * c(sHO2) w(r148b) = k(r148b) * c(sC2H6) w(r154b) = k(r154b) * cqss(sC2H5-nspec) * c(sH2O) w(r156b) = k(r156b) * cqss(sC2H5-nspec) * c(sH2) w(r163b) = k(r163b) * cqss(sCH2DXCH2-nspec) * c(sCO) w(r165b) = k(r165b) * cqss(sHCCO-nspec) * c(sOH) w(r167b) = k(r167b) * cqss(sHCCO-nspec) * c(sH2O) w(r168b) = k(r168b) * cqss(sHCCO-nspec) * c(sH2) w(r169b) = k(r169b) * cqss(sCH2CHO-nspec) w(r170b) = k(r170b) * c(sCH3) * c(sCO) w(r174b) = k(r174b) * c(sCH2CO) * c(sHO2) w(r177b) = k(r177b) * c(sCH3) * cqss(sHCO-nspec) w(r179b) = k(r179b) * c(sC3H6) * c(sO2) w(r180b) = k(r180b) * c(sC4H81XC4H8) w(r181b) = k(r181b) * c(sC3H6) w(r184b) = k(r184b) * cqss(sNXC3H7-nspec) w(r186b) = k(r186b) * c(sC2H4) * c(sCH3) w(r187b) = k(r187b) * cqss(sAXC3H5-nspec) * c(sH2) w(r189b) = k(r189b) * c(sC4H6) * c(sCH3) w(r193b) = k(r193b) * cqss(sAXC3H5-nspec) * c(sH2O) w(r195b) = k(r195b) * c(sC3H6) * c(sHO2) w(r201b) = k(r201b) * c(sC2H4) * cqss(sC2H3-nspec) w(r210b) = k(r210b) * c(sC4H6) * c(sH) w(r211b) = k(r211b) * c(sC3H6) * c(sCH3) w(r212b) = k(r212b) * cqss(sC4H7-nspec) * c(sH2) w(r219b) = k(r219b) * c(sC2H4) * cqss(sC2H5-nspec) w(r362b) = k(r362b) * cqss(sCH2-nspec) * c(sN2) end subroutine get_reaction_rates ! --- Production rates --- ! subroutine get_production_rates(cdot,w) implicit none real(pr), dimension(nspec) :: cdot real(pr), dimension(nreac) :: w cdot(sN2) = 0.0_pr + & w(r276) + & w(r299) + & w(r302) + & w(r322) + & w(r329) - & w(r351) - & w(r352) - & w(r353) + & w(r353) - & w(r354) - & w(r355) + & w(r355) - & w(r356) - & w(r357) - & w(r358) - & w(r359) - & w(r360) - & w(r361) - & w(r362f) + & w(r362f) + & w(r365) + & w(r367) + & w(r368) + & w(r369) + & w(r370) - & w(r362b) + & w(r362b) cdot(sH) = 0.0_pr - 2_pr * & w(r1) - & w(r2f) + & w(r4f) + & w(r6f) - & w(r7f) - 2_pr * & w(r9) - & w(r10f) - & w(r11f) + & w(r12f) - & w(r13f) - & w(r19) - & w(r22f) - & w(r25) + & w(r27f) + & w(r28) + & w(r29) + & w(r31) + & w(r32f) + & w(r34) + & w(r35) - & w(r38) + 2_pr * & w(r41) + & w(r42) + & w(r44) - & w(r45f) + & w(r46) + & w(r49f) - & w(r50f) + & w(r54f) + & w(r56) + & w(r57) + & w(r58) + & w(r62) + & w(r66) - & w(r68f) + & w(r72f) + & w(r76f) + & w(r78) + & w(r80f) - & w(r81f) + & w(r84f) - & w(r86f) + & w(r87) - & w(r88f) - & w(r91f) - & w(r96f) - & w(r99f) - & w(r101) + & w(r106f) - & w(r107) cdot(sH) = cdot(sH) + & w(r108) + & w(r113) + & w(r115f) + & w(r123f) - & w(r124f) + & w(r125) - & w(r130) + & w(r131f) + & w(r135f) + & w(r136f) - & w(r137f) - & w(r141f) - & w(r147) - & w(r148f) - & w(r156f) + & w(r159) - & w(r163f) - & w(r168f) - & w(r169f) - & w(r170f) - & w(r171) - & w(r177f) - & w(r181f) - & w(r184f) - & w(r186f) - & w(r187f) + & w(r190) - & w(r197) - & w(r200) - & w(r201f) - & w(r203) - & w(r206) - & w(r209) + & w(r210f) - & w(r211f) - & w(r212f) - & w(r219f) - & w(r220) - & w(r222) - & w(r223) - & w(r225) - & w(r227) - & w(r237) - & w(r239) - & w(r247) + & w(r249) + & w(r250) + & w(r258) + & w(r260) + & w(r263) cdot(sH) = cdot(sH) + & w(r266) - & w(r268) + & w(r269) + & w(r273) - & w(r274) + & w(r278) + & w(r285) + & w(r288) - & w(r290) - & w(r296) - & w(r297) + & w(r298) - & w(r303) - & w(r306) + & w(r310) + & w(r318) - & w(r319) + & w(r321) + & w(r323) - & w(r331) + & w(r334) - & w(r338) - & w(r343) - & w(r345) - & w(r350) + & w(r352) - & w(r353) + & w(r355) - & w(r364) - & w(r365) + & w(r2b) - & w(r4b) - & w(r6b) + & w(r7b) + & w(r10b) + & w(r11b) - & w(r12b) + & w(r13b) + & w(r22b) - & w(r27b) - & w(r32b) + & w(r45b) - & w(r49b) + & w(r50b) - & w(r54b) + & w(r68b) - & w(r72b) - & w(r76b) - & w(r80b) + & w(r81b) cdot(sH) = cdot(sH) - & w(r84b) + & w(r86b) + & w(r88b) + & w(r91b) + & w(r96b) + & w(r99b) - & w(r106b) - & w(r115b) - & w(r123b) + & w(r124b) - & w(r131b) - & w(r135b) - & w(r136b) + & w(r137b) + & w(r141b) + & w(r148b) + & w(r156b) + & w(r163b) + & w(r168b) + & w(r169b) + & w(r170b) + & w(r177b) + & w(r181b) + & w(r184b) + & w(r186b) + & w(r187b) + & w(r201b) - & w(r210b) + & w(r211b) + & w(r212b) + & w(r219b) cdot(sH2) = 0.0_pr + & w(r1) - & w(r4f) - & w(r6f) + & w(r9) - & w(r12f) + & w(r22f) - & w(r27f) - & w(r32f) + & w(r45f) + & w(r47) - & w(r49f) + & w(r68f) + & w(r86f) + & w(r88f) + & w(r95) + & w(r101) - & w(r106f) + & w(r130) + & w(r137f) + & w(r147) + & w(r156f) + & w(r168f) + & w(r171) + & w(r187f) + & w(r197) + & w(r206) + & w(r212f) + & w(r223) + & w(r227) + & w(r237) + & w(r239) + & w(r247) - & w(r250) - & w(r266) + & w(r268) + & w(r274) - & w(r285) + & w(r303) - & w(r334) + & w(r345) + & w(r4b) + & w(r6b) + & w(r12b) - & w(r22b) + & w(r27b) + & w(r32b) - & w(r45b) + & w(r49b) - & w(r68b) - & w(r86b) cdot(sH2) = cdot(sH2) - & w(r88b) + & w(r106b) - & w(r137b) - & w(r156b) - & w(r168b) - & w(r187b) - & w(r212b) cdot(sO) = 0.0_pr - & w(r2f) - 2_pr * & w(r3) - & w(r4f) + & w(r8f) + & w(r10f) - & w(r16f) + & w(r19) - & w(r23) - & w(r28) + & w(r30) - & w(r34) - & w(r42) - & w(r47) - & w(r62) + & w(r63f) - & w(r67f) - & w(r73f) + & w(r75f) - & w(r78) - & w(r85) - & w(r90) - & w(r100) - & w(r109) - & w(r110f) - & w(r111) - & w(r115f) - & w(r122) - & w(r125) + & w(r128) - & w(r133) - & w(r134) - & w(r138f) - & w(r146) - & w(r153) - & w(r159) - & w(r165f) - & w(r166) - & w(r176) - & w(r188) - & w(r190) - & w(r191) - & w(r199) - & w(r213) - & w(r216) - & w(r217) - & w(r226) - & w(r228) - & w(r233) - & w(r245) + & w(r254) cdot(sO) = cdot(sO) - & w(r258) + & w(r259) + & w(r265) - & w(r270) - & w(r273) + & w(r275) + & w(r276) - & w(r283) + & w(r284) + & w(r290) + & w(r292) - & w(r294) - & w(r304) - & w(r305) + & w(r312) - & w(r316) - & w(r321) - & w(r324) + & w(r336) + & w(r338) - & w(r342) - & w(r344) - & w(r347) + & w(r351) - & w(r354) - & w(r356) - & w(r363) + & w(r368) - & w(r369) + & w(r2b) + & w(r4b) - & w(r8b) - & w(r10b) + & w(r16b) - & w(r63b) + & w(r67b) + & w(r73b) - & w(r75b) + & w(r110b) + & w(r115b) + & w(r138b) + & w(r165b) cdot(sOH) = 0.0_pr + & w(r2f) + & w(r4f) - 2_pr * & w(r5f) - & w(r6f) - & w(r7f) - 2_pr * & w(r8f) + & w(r10f) + 2_pr * & w(r13f) - & w(r14f) - & w(r15f) + & w(r16f) - & w(r17f) - & w(r18) + & w(r23) - & w(r24f) + & w(r25) - & w(r26f) - & w(r29) - & w(r35) + & w(r37) - & w(r39f) + & w(r40) - & w(r44) + & w(r46) - & w(r51f) + & w(r52) - & w(r53f) + & w(r59) - & w(r64f) + & w(r67f) - & w(r72f) - & w(r76f) + & w(r77) - & w(r82) + & w(r85) + & w(r90) - & w(r94) + & w(r96f) - & w(r97) + & w(r100) - & w(r108) + & w(r110f) - & w(r112) - & w(r113) - & w(r114f) - & w(r127) + & w(r129) + & w(r138f) - & w(r142f) + & w(r145) cdot(sOH) = cdot(sOH) + & w(r153) - & w(r154f) + & w(r162) + & w(r165f) - & w(r167f) - & w(r173) + & w(r175) + & w(r176) + & w(r182) + & w(r188) - & w(r193f) - & w(r194) + & w(r198) + & w(r204) - & w(r215) + & w(r216) + & w(r217) + & w(r228) + & w(r233) - & w(r235) - & w(r240) - & w(r242) + & w(r245) - & w(r249) + & w(r257) - & w(r259) - & w(r262) - & w(r263) + & w(r264) + & w(r267) + & w(r270) - & w(r272) - & w(r278) + & w(r280) - & w(r284) + & w(r287) + & w(r289) + & w(r293) + & w(r296) + & w(r302) + & w(r304) + & w(r306) - & w(r307) + & w(r317) + & w(r319) - & w(r320) - & w(r323) - & w(r325) - & w(r327) - & w(r336) cdot(sOH) = cdot(sOH) + & w(r339) - & w(r346) + & w(r347) + & w(r350) - & w(r352) + & w(r357) - & w(r360) + & w(r365) - & w(r370) - & w(r2b) - & w(r4b) + 2_pr * & w(r5b) + & w(r6b) + & w(r7b) + 2_pr * & w(r8b) - & w(r10b) - 2_pr * & w(r13b) + & w(r14b) + & w(r15b) - & w(r16b) + & w(r17b) + & w(r24b) + & w(r26b) + & w(r39b) + & w(r51b) + & w(r53b) + & w(r64b) - & w(r67b) + & w(r72b) + & w(r76b) - & w(r96b) - & w(r110b) + & w(r114b) - & w(r138b) + & w(r142b) + & w(r154b) - & w(r165b) + & w(r167b) + & w(r193b) cdot(sO2) = 0.0_pr + & w(r3) - & w(r10f) - & w(r11f) - & w(r12f) + & w(r14f) + & w(r15f) + & w(r16f) + & w(r17f) + & w(r18) + & w(r20f) + & w(r21) - & w(r30) - & w(r37) - & w(r41) - & w(r43) - & w(r46) - & w(r52) + & w(r61) - & w(r63f) - & w(r75f) - & w(r79) - & w(r89f) - & w(r98) - & w(r105) + & w(r117) - & w(r119) - & w(r120f) - & w(r128) - & w(r143f) + & w(r151) - & w(r162) - & w(r174f) - & w(r175) + & w(r179f) - & w(r195f) - & w(r208) - & w(r243) - & w(r248) - & w(r254) - & w(r265) - & w(r267) - & w(r275) + & w(r281) + & w(r283) + & w(r305) - & w(r309) + & w(r316) - & w(r328) + & w(r340) - & w(r351) cdot(sO2) = cdot(sO2) + & w(r369) + & w(r10b) + & w(r11b) + & w(r12b) - & w(r14b) - & w(r15b) - & w(r16b) - & w(r17b) - & w(r20b) + & w(r63b) + & w(r75b) + & w(r89b) + & w(r120b) + & w(r143b) + & w(r174b) - & w(r179b) + & w(r195b) !cdot(sH2O2) = 0.0_pr cdot(sH2O) = 0.0_pr + & w(r6f) + & w(r7f) + & w(r8f) - & w(r9) + & w(r9) + & w(r14f) + & w(r15f) + & w(r17f) + & w(r18) + & w(r19) + & w(r24f) + & w(r25) + & w(r26f) - & w(r31) + & w(r39f) + & w(r43) - & w(r48f) + & w(r48f) + & w(r51f) + & w(r53f) + & w(r64f) + & w(r82) - & w(r84f) + & w(r84f) + & w(r94) + & w(r97) + & w(r99f) + & w(r114f) + & w(r127) + & w(r142f) + & w(r154f) + & w(r167f) + & w(r173) + & w(r193f) + & w(r194) + & w(r215) + & w(r235) + & w(r240) + & w(r242) - & w(r257) + & w(r262) - & w(r264) + & w(r272) - & w(r293) + & w(r299) + & w(r300) + & w(r307) + & w(r313) - & w(r339) + & w(r346) cdot(sH2O) = cdot(sH2O) - & w(r358) - & w(r6b) - & w(r7b) - & w(r8b) - & w(r14b) - & w(r15b) - & w(r17b) - & w(r24b) - & w(r26b) - & w(r39b) - & w(r48b) + & w(r48b) - & w(r51b) - & w(r53b) - & w(r64b) - & w(r84b) + & w(r84b) - & w(r99b) - & w(r114b) - & w(r142b) - & w(r154b) - & w(r167b) - & w(r193b) cdot(sHO2) = 0.0_pr + & w(r11f) + & w(r12f) - & w(r13f) - & w(r14f) - & w(r15f) - & w(r16f) - & w(r17f) - & w(r18) - & w(r19) - 2_pr * & w(r20f) - 2_pr * & w(r21) + & w(r22f) + & w(r23) + & w(r24f) + & w(r26f) - & w(r40) - & w(r59) + & w(r60f) - & w(r61) - & w(r77) + & w(r79) + & w(r89f) - & w(r93) + & w(r98) - & w(r117) + & w(r120f) - & w(r129) + & w(r143f) - & w(r145) - & w(r150) - & w(r151) - & w(r152) + & w(r174f) - & w(r179f) - & w(r182) - & w(r185) + & w(r195f) - & w(r198) - & w(r204) + & w(r208) - & w(r214) - & w(r230) - & w(r241) + & w(r243) - & w(r246) + & w(r248) - & w(r280) - & w(r281) + & w(r309) + & w(r320) cdot(sHO2) = cdot(sHO2) - & w(r340) - & w(r357) + & w(r370) - & w(r11b) - & w(r12b) + & w(r13b) + & w(r14b) + & w(r15b) + & w(r16b) + & w(r17b) + 2_pr * & w(r20b) - & w(r22b) - & w(r24b) - & w(r26b) - & w(r60b) - & w(r89b) - & w(r120b) - & w(r143b) - & w(r174b) + & w(r179b) - & w(r195b) !cdot(sCH) = 0.0_pr !cdot(sCH2) = 0.0_pr cdot(sCO) = 0.0_pr + & w(r28) + & w(r43) + & w(r46) + & w(r47) - & w(r70f) + & w(r70f) - & w(r71f) - & w(r72f) - & w(r73f) - & w(r74f) - & w(r75f) - & w(r76f) - & w(r77) + & w(r79) + & w(r80f) + & w(r82) + & w(r83) + & w(r84f) + & w(r85) + & w(r86f) + & w(r95) + & w(r102) + & w(r103) + & w(r105) + & w(r109) + & w(r111) + & w(r112) + & w(r116f) + & w(r122) + & w(r139f) + 2_pr * & w(r159) + & w(r160) + 2_pr * & w(r162) + & w(r163f) + & w(r170f) + & w(r172) + & w(r175) + & w(r251) - & w(r253) - & w(r260) - & w(r261) - & w(r269) + & w(r286) - & w(r295) + & w(r301) - & w(r311) - & w(r315) + & w(r324) + & w(r325) + & w(r330) cdot(sCO) = cdot(sCO) + & w(r331) + & w(r332) + & w(r342) + & w(r343) + & w(r348) + & w(r361) - & w(r367) - & w(r70b) + & w(r70b) + & w(r71b) + & w(r72b) + & w(r73b) + & w(r74b) + & w(r75b) + & w(r76b) - & w(r80b) - & w(r84b) - & w(r86b) - & w(r116b) - & w(r139b) - & w(r163b) - & w(r170b) !cdot(sHCO) = 0.0_pr cdot(sCH2O) = 0.0_pr + & w(r31) + & w(r35) + & w(r40) + & w(r44) + & w(r52) + & w(r62) + & w(r81f) - & w(r87) - & w(r88f) - & w(r89f) - & w(r90) - & w(r91f) - & w(r92) - & w(r93) - & w(r94) - & w(r95) + & w(r97) + & w(r98) + & w(r100) + & w(r101) + & w(r103) + & w(r119) + & w(r134) + & w(r145) + & w(r146) + & w(r175) + & w(r182) + & w(r198) + & w(r199) + & w(r204) + & w(r314) - & w(r335) - & w(r81b) + & w(r88b) + & w(r89b) + & w(r91b) cdot(sCH3) = 0.0_pr + & w(r32f) + & w(r38) + & w(r49f) - & w(r50f) - & w(r51f) - & w(r52) - & w(r53f) - 2_pr * & w(r54f) - 2_pr * & w(r55f) - & w(r56) - & w(r57) - & w(r58) - & w(r59) - & w(r60f) - & w(r61) - & w(r62) - & w(r63f) + & w(r64f) + 2_pr * & w(r65f) + & w(r67f) + & w(r68f) + 2_pr * & w(r69f) - & w(r83) - & w(r92) + & w(r96f) + & w(r112) - & w(r118f) - & w(r121) + & w(r122) - & w(r123f) - & w(r132f) + & w(r133) - & w(r140f) + & w(r145) + & w(r146) - & w(r155) + & w(r157) - & w(r160) + & w(r170f) + & w(r172) + & w(r177f) - & w(r180f) + & w(r183) + & w(r186f) + & w(r189f) + & w(r190) - & w(r192) - & w(r196) + & w(r200) + & w(r203) cdot(sCH3) = cdot(sCH3) - & w(r205) + & w(r211f) - & w(r218) + & w(r223) - & w(r229) - & w(r232) + & w(r236) - & w(r244) - & w(r300) + & w(r341) - & w(r349) - & w(r32b) - & w(r49b) + & w(r50b) + & w(r51b) + & w(r53b) + 2_pr * & w(r54b) + 2_pr * & w(r55b) + & w(r60b) + & w(r63b) - & w(r64b) - 2_pr * & w(r65b) - & w(r67b) - & w(r68b) - 2_pr * & w(r69b) - & w(r96b) + & w(r118b) + & w(r123b) + & w(r132b) + & w(r140b) - & w(r170b) - & w(r177b) + & w(r180b) - & w(r186b) - & w(r189b) - & w(r211b) cdot(sCO2) = 0.0_pr + & w(r41) + & w(r72f) + & w(r73f) + & w(r75f) + & w(r76f) + & w(r77) + & w(r78) - & w(r102) - & w(r103) - & w(r104f) + & w(r104f) + & w(r166) - & w(r251) + & w(r279) - & w(r286) + & w(r295) + & w(r315) + & w(r318) + & w(r328) + & w(r329) + & w(r344) - & w(r361) + & w(r367) - & w(r72b) - & w(r73b) - & w(r75b) - & w(r76b) - & w(r104b) + & w(r104b) !cdot(sCH2DXCH2) = 0.0_pr cdot(sCH4) = 0.0_pr + & w(r50f) + & w(r60f) + & w(r61) - & w(r64f) - & w(r65f) - & w(r66) - & w(r67f) - & w(r68f) - & w(r69f) + & w(r83) + & w(r92) + & w(r121) + & w(r140f) + & w(r155) + & w(r192) + & w(r196) + & w(r205) + & w(r218) + & w(r229) + & w(r232) + & w(r244) - & w(r341) + & w(r349) - & w(r50b) - & w(r60b) + & w(r64b) + & w(r65b) + & w(r67b) + & w(r68b) + & w(r69b) - & w(r140b) !cdot(sC2H5) = 0.0_pr cdot(sC2H6) = 0.0_pr + & w(r55f) + & w(r148f) + & w(r151) - & w(r152) - & w(r153) - & w(r154f) - & w(r155) - & w(r156f) - & w(r157) - & w(r337) - & w(r55b) - & w(r148b) + & w(r154b) + & w(r156b) cdot(sC2H4) = 0.0_pr + & w(r56) + & w(r57) + & w(r66) + & w(r117) + & w(r124f) - & w(r132f) - & w(r133) - & w(r134) - & w(r135f) - & w(r136f) - & w(r137f) - & w(r138f) - & w(r139f) - & w(r140f) - & w(r141f) - & w(r142f) + & w(r143f) + & w(r147) + & w(r150) + & w(r160) + & w(r186f) + & w(r201f) + & w(r207) + & w(r219f) + & w(r222) + & w(r226) + & w(r234) + & w(r236) - & w(r124b) + & w(r132b) + & w(r135b) + & w(r136b) + & w(r137b) + & w(r138b) + & w(r139b) + & w(r140b) + & w(r141b) + & w(r142b) - & w(r143b) - & w(r186b) - & w(r201b) - & w(r219b) !cdot(sC2H3) = 0.0_pr !cdot(sCH3O) = 0.0_pr !cdot(sHCCO) = 0.0_pr cdot(sCH2CO) = 0.0_pr + & w(r74f) + & w(r87) + & w(r113) + & w(r125) - & w(r165f) - & w(r166) - & w(r167f) - & w(r168f) - & w(r169f) - & w(r170f) + & w(r171) + & w(r173) + & w(r174f) + & w(r176) + & w(r190) - & w(r74b) + & w(r165b) + & w(r167b) + & w(r168b) + & w(r169b) + & w(r170b) - & w(r174b) !cdot(sC2H) = 0.0_pr cdot(sC2H2) = 0.0_pr + & w(r106f) + & w(r107) - & w(r110f) - & w(r111) - & w(r112) - & w(r113) - & w(r114f) - & w(r115f) - & w(r116f) + & w(r120f) + & w(r121) + & w(r127) + & w(r130) + & w(r131f) + & w(r183) - & w(r277) + & w(r291) - & w(r308) - & w(r326) - & w(r106b) + & w(r110b) + & w(r114b) + & w(r115b) + & w(r116b) - & w(r120b) - & w(r131b) cdot(sC3H6) = 0.0_pr + & w(r118f) + & w(r179f) + & w(r181f) - & w(r184f) - & w(r185) - & w(r186f) - & w(r187f) - & w(r188) - & w(r189f) - & w(r190) - & w(r191) - & w(r192) - & w(r193f) + & w(r194) + & w(r195f) + & w(r196) + & w(r197) + & w(r211f) + & w(r220) + & w(r225) + & w(r228) + & w(r229) + & w(r232) + & w(r233) + & w(r237) + 2_pr * & w(r238) + & w(r240) + & w(r241) + & w(r242) + & w(r246) + & w(r247) + & w(r248) - & w(r118b) - & w(r179b) - & w(r181b) + & w(r184b) + & w(r186b) + & w(r187b) + & w(r189b) + & w(r193b) - & w(r195b) - & w(r211b) !cdot(sAXC3H5) = 0.0_pr !cdot(sCH2CHO) = 0.0_pr !cdot(sNXC3H7) = 0.0_pr cdot(sC4H81XC4H8) = 0.0_pr + & w(r180f) + & w(r209) - & w(r211f) - & w(r212f) - & w(r213) - & w(r214) - & w(r215) - & w(r216) - & w(r217) - & w(r218) - & w(r219f) + & w(r230) + & w(r234) + & w(r235) + & w(r239) + & w(r243) + & w(r244) + & w(r245) - & w(r180b) + & w(r211b) + & w(r212b) + & w(r219b) cdot(sC4H6) = 0.0_pr + & w(r189f) - & w(r201f) + & w(r205) + & w(r206) + & w(r208) + & w(r210f) + & w(r223) + & w(r227) - & w(r189b) + & w(r201b) - & w(r210b) !cdot(sC4H7) = 0.0_pr cdot(sC5H10) = 0.0_pr - & w(r220) - & w(r222) - & w(r223) + & w(r230) + & w(r235) + & w(r239) + & w(r243) + & w(r244) + & w(r245) cdot(sC6H12) = 0.0_pr - & w(r225) - & w(r226) - & w(r227) + & w(r228) + & w(r229) + & w(r231) + & w(r232) + & w(r233) + & w(r236) + & w(r237) + & w(r240) + & w(r241) + & w(r242) + & w(r246) + & w(r247) + & w(r248) cdot(sNXC12H26) = 0.0_pr - & w(r228) - & w(r229) - & w(r230) - & w(r231) - & w(r232) - & w(r233) - & w(r234) - & w(r235) - & w(r236) - & w(r237) - & w(r238) - & w(r239) - & w(r240) - & w(r241) - & w(r242) - & w(r243) - & w(r244) - & w(r245) - & w(r246) - & w(r247) - & w(r248) !cdot(sN) = 0.0_pr cdot(sNO) = 0.0_pr + & w(r249) + & w(r251) + & w(r254) + & w(r258) + & w(r267) - & w(r275) - & w(r276) - & w(r277) - & w(r278) - & w(r279) - & w(r280) - & w(r281) - & w(r282) - & w(r283) - & w(r284) - & w(r285) - & w(r286) - & w(r287) - & w(r288) - & w(r289) - & w(r290) - & w(r291) - & w(r292) - & w(r293) - & w(r294) - & w(r295) - & w(r296) - & w(r297) - & w(r298) - & w(r299) - & w(r300) - & w(r301) - & w(r302) + & w(r303) + & w(r304) + & w(r307) + & w(r308) + & w(r309) + & w(r310) + & w(r311) + & w(r312) + & w(r314) + & w(r315) + & w(r316) + & w(r318) + & w(r319) + & w(r320) + & w(r327) + & w(r328) - & w(r329) cdot(sNO) = cdot(sNO) - & w(r330) + & w(r342) - & w(r353) + & w(r355) + & w(r356) + & w(r358) + & w(r360) + 2_pr * & w(r363) + & w(r364) + & w(r366) !cdot(sNH) = 0.0_pr !cdot(sNCO) = 0.0_pr !cdot(sNH2) = 0.0_pr !cdot(sHNCO) = 0.0_pr !cdot(sHNO) = 0.0_pr cdot(sNO2) = 0.0_pr + & w(r275) + & w(r278) + & w(r280) + & w(r286) + & w(r294) - & w(r312) - & w(r313) - & w(r314) - & w(r315) - & w(r316) - & w(r317) - & w(r318) - & w(r319) - & w(r320) cdot(sHCN) = 0.0_pr + & w(r277) + & w(r279) + & w(r287) + & w(r289) + & w(r292) + & w(r300) - & w(r321) - & w(r322) - & w(r323) - & w(r324) - & w(r325) + & w(r326) + & w(r338) + & w(r350) + & w(r359) + & w(r366) cdot(sN2O) = 0.0_pr + & w(r298) + & w(r313) + & w(r317) + & w(r330) + & w(r351) + & w(r352) + & w(r354) + & w(r357) + & w(r361) - & w(r363) - & w(r364) - & w(r365) - & w(r366) - & w(r367) - & w(r368) - & w(r369) - & w(r370) end subroutine get_production_rates ! --- Actual reactions --- ! subroutine reaction_expressions implicit none reacexp(1) = '2 H + M1 -> H2 + M1' reacexp(2) = 'O + H + M3 -> OH + M3' reacexp(3) = '2 O + M4 -> O2 + M4' reacexp(4) = 'O + H2 -> H + OH' reacexp(5) = '2 OH + M6 -> H2O2 + M6' reacexp(6) = 'OH + H2 -> H + H2O' reacexp(7) = 'H + OH + M2 -> H2O + M2' reacexp(8) = '2 OH -> O + H2O' reacexp(9) = '2 H + H2O -> H2 + H2O' reacexp(10) = 'H + O2 -> O + OH' reacexp(11) = 'H + O2 + M5 -> HO2 + M5' reacexp(12) = 'H2 + O2 -> HO2 + H' reacexp(13) = 'HO2 + H -> 2 OH' reacexp(14) = 'OH + HO2 -> H2O + O2' reacexp(15) = 'OH + HO2 -> H2O + O2' reacexp(16) = 'HO2 + O -> OH + O2' reacexp(17) = 'OH + HO2 -> H2O + O2' reacexp(18) = 'OH + HO2 -> H2O + O2' reacexp(19) = 'HO2 + H -> O + H2O' reacexp(20) = '2 HO2 -> O2 + H2O2' reacexp(21) = '2 HO2 -> O2 + H2O2' reacexp(22) = 'H2O2 + H -> HO2 + H2' reacexp(23) = 'H2O2 + O -> OH + HO2' reacexp(24) = 'H2O2 + OH -> HO2 + H2O' reacexp(25) = 'H2O2 + H -> OH + H2O' reacexp(26) = 'H2O2 + OH -> HO2 + H2O' reacexp(27) = 'CH + H2 -> CH2 + H' reacexp(28) = 'CH + O -> CO + H' reacexp(29) = 'CH + OH -> HCO + H' reacexp(30) = 'CH + O2 -> HCO + O' reacexp(31) = 'CH + H2O -> CH2O + H' reacexp(32) = 'CH2 + H2 -> H + CH3' reacexp(33) = 'CH2 + O -> HCO + H' reacexp(34) = 'CH2 + OH -> CH2O + H' reacexp(35) = 'CH2 + O2 -> HCO + OH' reacexp(36) = 'CH2 + H + M12 -> CH3 + M12' reacexp(37) = 'CH2 + OH -> CH + H2O' reacexp(38) = 'CH2 + HO2 -> CH2O + OH' reacexp(39) = 'CH2 + O2 -> CO2 + 2 H' reacexp(40) = 'CH2D-CH2 + O -> HCO + H' reacexp(41) = 'CH2D-CH2 + O2 -> CO + H2O' reacexp(42) = 'CH2D-CH2 + OH -> CH2O + H' reacexp(43) = 'CH2D-CH2 + H -> CH + H2' reacexp(44) = 'CH2D-CH2 + O2 -> H + OH + CO' reacexp(45) = 'CH2D-CH2 + O -> CO + H2' reacexp(46) = 'CH2D-CH2 + H2O -> CH2 + H2O' reacexp(47) = 'CH2D-CH2 + H2 -> CH3 + H' reacexp(48) = 'CH3 + H + M17 -> CH4 + M17' reacexp(49) = 'CH3 + OH -> CH2 + H2O' reacexp(50) = 'CH3 + O2 -> OH + CH2O' reacexp(51) = 'CH3 + OH -> CH2D-CH2 + H2O' reacexp(52) = '2 CH3 -> H + C2H5' reacexp(53) = '2 CH3 + M19 -> C2H6 + M19' reacexp(54) = 'CH3 + CH2 -> C2H4 + H' reacexp(55) = 'CH3 + CH2D-CH2 -> C2H4 + H' reacexp(56) = 'CH3 + CH -> C2H3 + H' reacexp(57) = 'CH3 + HO2 -> CH3O + OH' reacexp(58) = 'CH3 + H2O2 -> CH4 + HO2' reacexp(59) = 'CH3 + HO2 -> CH4 + O2' reacexp(60) = 'CH3 + O -> CH2O + H' reacexp(61) = 'CH3 + O2 -> O + CH3O' reacexp(62) = 'CH4 + OH -> CH3 + H2O' reacexp(63) = 'CH4 + CH2D-CH2 -> 2 CH3' reacexp(64) = 'CH4 + CH -> C2H4 + H' reacexp(65) = 'CH4 + O -> CH3 + OH' reacexp(66) = 'CH4 + H -> CH3 + H2' reacexp(67) = 'CH4 + CH2 -> 2 CH3' reacexp(68) = 'CH2D-CH2 + CO -> CH2 + CO' reacexp(69) = 'CH + CO + M10 -> HCCO + M10' reacexp(70) = 'CO + OH -> CO2 + H' reacexp(71) = 'CO + O + M7 -> CO2 + M7' reacexp(72) = 'CH2 + CO + M13 -> CH2CO + M13' reacexp(73) = 'CO + O2 -> CO2 + O' reacexp(74) = 'CO + OH -> CO2 + H' reacexp(75) = 'CO + HO2 -> CO2 + OH' reacexp(76) = 'HCO + O -> CO2 + H' reacexp(77) = 'HCO + O2 -> CO + HO2' reacexp(78) = 'HCO + M8 -> CO + H + M8' reacexp(79) = 'HCO + H + M11 -> CH2O + M11' reacexp(80) = 'HCO + OH -> CO + H2O' reacexp(81) = 'CH3 + HCO -> CH4 + CO' reacexp(82) = 'HCO + H2O -> CO + H + H2O' reacexp(83) = 'HCO + O -> CO + OH' reacexp(84) = 'HCO + H -> CO + H2' reacexp(85) = 'CH2O + CH -> CH2CO + H' reacexp(86) = 'CH2O + H -> HCO + H2' reacexp(87) = 'CH2O + O2 -> HCO + HO2' reacexp(88) = 'CH2O + O -> HCO + OH' reacexp(89) = 'CH2O + H + M16 -> CH3O + M16' reacexp(90) = 'CH3 + CH2O -> CH4 + HCO' reacexp(91) = 'CH2O + HO2 -> HCO + H2O2' reacexp(92) = 'CH2O + OH -> HCO + H2O' reacexp(93) = 'CH2O + M9 -> H2 + CO + M9' reacexp(94) = 'CH3O + H -> CH3 + OH' reacexp(95) = 'CH3O + OH -> CH2O + H2O' reacexp(96) = 'CH3O + O2 -> CH2O + HO2' reacexp(97) = 'CH3O + H -> CH2D-CH2 + H2O' reacexp(98) = 'CH3O + O -> CH2O + OH' reacexp(99) = 'CH3O + H -> CH2O + H2' reacexp(100) = 'CH + CO2 -> HCO + CO' reacexp(101) = 'CH2D-CH2 + CO2 -> CH2O + CO' reacexp(102) = 'CH2D-CH2 + CO2 -> CH2 + CO2' reacexp(103) = 'C2H + O2 -> HCO + CO' reacexp(104) = 'C2H + H2 -> H + C2H2' reacexp(105) = 'C2H + H + M22 -> C2H2 + M22' reacexp(106) = 'C2H + OH -> H + HCCO' reacexp(107) = 'C2H + O -> CH + CO' reacexp(108) = 'C2H2 + O -> C2H + OH' reacexp(109) = 'C2H2 + O -> CH2 + CO' reacexp(110) = 'C2H2 + OH -> CH3 + CO' reacexp(111) = 'C2H2 + OH -> CH2CO + H' reacexp(112) = 'C2H2 + OH -> C2H + H2O' reacexp(113) = 'C2H2 + O -> HCCO + H' reacexp(114) = 'C2H2 + HCO -> C2H3 + CO' reacexp(115) = 'HO2 + C2H3 -> O2 + C2H4' reacexp(116) = 'C2H3 + CH3 + M30 -> C3H6 + M30' reacexp(117) = 'C2H3 + O2 -> HCO + CH2O' reacexp(118) = 'C2H3 + O2 -> C2H2 + HO2' reacexp(119) = 'C2H3 + CH3 -> C2H2 + CH4' reacexp(120) = 'C2H3 + O -> CH3 + CO' reacexp(121) = 'C2H3 + CH3 -> A-C3H5 + H' reacexp(122) = 'C2H3 + H + M29 -> C2H4 + M29' reacexp(123) = 'C2H3 + O -> CH2CO + H' reacexp(124) = 'C2H3 + OH -> C2H2 + H2O' reacexp(125) = 'C2H3 + O2 -> CH2CHO + O' reacexp(126) = 'C2H3 + HO2 -> CH2CHO + OH' reacexp(127) = 'C2H3 + H -> C2H2 + H2' reacexp(128) = 'C2H3 + M24 -> C2H2 + H + M24' reacexp(129) = 'C2H4 + CH3 -> N-C3H7' reacexp(130) = 'C2H4 + O -> CH3 + HCO' reacexp(131) = 'C2H4 + O -> CH2 + CH2O' reacexp(132) = 'C2H4 + CH2 -> A-C3H5 + H' reacexp(133) = 'C2H4 + CH2D-CH2 -> A-C3H5 + H' reacexp(134) = 'C2H4 + H -> C2H3 + H2' reacexp(135) = 'C2H4 + O -> C2H3 + OH' reacexp(136) = 'C2H4 + HCO -> C2H5 + CO' reacexp(137) = 'C2H4 + CH3 -> C2H3 + CH4' reacexp(138) = 'C2H4 + H + M36 -> C2H5 + M36' reacexp(139) = 'C2H4 + OH -> C2H3 + H2O' reacexp(140) = 'C2H5 + O2 -> C2H4 + HO2' reacexp(141) = 'C2H5 + HO2 -> CH3 + CH2O + OH' reacexp(142) = 'C2H5 + O -> CH3 + CH2O' reacexp(143) = 'C2H5 + H -> C2H4 + H2' reacexp(144) = 'C2H5 + H + M37 -> C2H6 + M37' reacexp(145) = 'C2H5 + HO2 -> C2H4 + H2O2' reacexp(146) = 'C2H5 + HO2 -> C2H6 + O2' reacexp(147) = 'HO2 + C2H6 -> H2O2 + C2H5' reacexp(148) = 'C2H6 + O -> C2H5 + OH' reacexp(149) = 'C2H6 + OH -> C2H5 + H2O' reacexp(150) = 'C2H6 + CH3 -> C2H5 + CH4' reacexp(151) = 'C2H6 + H -> C2H5 + H2' reacexp(152) = 'C2H6 + CH2D-CH2 -> C2H5 + CH3' reacexp(153) = 'HCCO + O -> H + 2 CO' reacexp(154) = 'CH3 + HCCO -> C2H4 + CO' reacexp(155) = 'HCCO + O2 -> OH + 2 CO' reacexp(156) = 'HCCO + H -> CH2D-CH2 + CO' reacexp(157) = 'CH2CO + O -> HCCO + OH' reacexp(158) = 'CH2CO + O -> CH2 + CO2' reacexp(159) = 'CH2CO + OH -> HCCO + H2O' reacexp(160) = 'CH2CO + H -> HCCO + H2' reacexp(161) = 'CH2CO + H + M28 -> CH2CHO + M28' reacexp(162) = 'CH2CO + H -> CH3 + CO' reacexp(163) = 'CH2CHO + H -> CH2CO + H2' reacexp(164) = 'CH2CHO -> CH3 + CO' reacexp(165) = 'CH2CHO + OH -> CH2CO + H2O' reacexp(166) = 'CH2CHO + O2 -> CH2CO + HO2' reacexp(167) = 'CH2CHO + O2 -> CH2O + CO + OH' reacexp(168) = 'CH2CHO + O -> CH2CO + OH' reacexp(169) = 'CH2CHO + H -> CH3 + HCO' reacexp(170) = 'A-C3H5 + HO2 -> C3H6 + O2' reacexp(171) = 'A-C3H5 + CH3 + M42 -> C4H81-C4H8 + M42' reacexp(172) = 'A-C3H5 + H + M41 -> C3H6 + M41' reacexp(173) = 'A-C3H5 + HO2 -> OH + C2H3 + CH2O' reacexp(174) = 'A-C3H5 -> CH3 + C2H2' reacexp(175) = 'C3H6 + H + M43 -> N-C3H7 + M43' reacexp(176) = 'C3H6 + HO2 -> A-C3H5 + H2O2' reacexp(177) = 'C3H6 + H -> C2H4 + CH3' reacexp(178) = 'C3H6 + H -> A-C3H5 + H2' reacexp(179) = 'C3H6 + O -> A-C3H5 + OH' reacexp(180) = 'C3H6 + C2H3 -> C4H6 + CH3' reacexp(181) = 'C3H6 + O -> CH2CO + CH3 + H' reacexp(182) = 'C3H6 + O -> C2H5 + HCO' reacexp(183) = 'C3H6 + CH3 -> A-C3H5 + CH4' reacexp(184) = 'C3H6 + OH -> A-C3H5 + H2O' reacexp(185) = 'N-C3H7 + OH -> C3H6 + H2O' reacexp(186) = 'N-C3H7 + O2 -> C3H6 + HO2' reacexp(187) = 'N-C3H7 + CH3 -> CH4 + C3H6' reacexp(188) = 'N-C3H7 + H -> C3H6 + H2' reacexp(189) = 'N-C3H7 + HO2 -> C2H5 + OH + CH2O' reacexp(190) = 'N-C3H7 + O -> C2H5 + CH2O' reacexp(191) = 'N-C3H7 + H -> C2H5 + CH3' reacexp(192) = 'C4H6 + H -> C2H4 + C2H3' reacexp(193) = 'C4H7 + H -> CH3 + A-C3H5' reacexp(194) = 'C4H7 + HO2 -> CH2O + OH + A-C3H5' reacexp(195) = 'C4H7 + CH3 -> C4H6 + CH4' reacexp(196) = 'C4H7 + H -> C4H6 + H2' reacexp(197) = 'C4H7 -> C2H3 + C2H4' reacexp(198) = 'C4H7 + O2 -> C4H6 + HO2' reacexp(199) = 'C4H7 + H + M47 -> C4H81-C4H8 + M47' reacexp(200) = 'C4H7 -> C4H6 + H' reacexp(201) = 'C4H81-C4H8 + H -> C3H6 + CH3' reacexp(202) = 'C4H81-C4H8 + H -> C4H7 + H2' reacexp(203) = 'C4H81-C4H8 + O -> N-C3H7 + HCO' reacexp(204) = 'C4H81-C4H8 + HO2 -> C4H7 + H2O2' reacexp(205) = 'C4H81-C4H8 + OH -> C4H7 + H2O' reacexp(206) = 'C4H81-C4H8 + O -> C4H7 + OH' reacexp(207) = 'C4H81-C4H8 + O -> C4H7 + OH' reacexp(208) = 'C4H81-C4H8 + CH3 -> C4H7 + CH4' reacexp(209) = 'C4H81-C4H8 + H -> C2H4 + C2H5' reacexp(210) = 'C5H10 + H -> C3H6 + C2H5' reacexp(211) = 'C5H10 + H -> C2H4 + N-C3H7' reacexp(212) = 'C5H10 + H -> C4H6 + CH3 + H2' reacexp(213) = 'C6H12 + H -> C3H6 + N-C3H7' reacexp(214) = 'C6H12 + O -> C2H4 + N-C3H7 + HCO' reacexp(215) = 'C6H12 + H -> C4H6 + C2H5 + H2' reacexp(216) = 'N-C12H26 + O -> C6H12 + C3H6 + N-C3H7 + OH' reacexp(217) = 'N-C12H26 + CH3 -> C6H12 + C3H6 + N-C3H7 + CH4' reacexp(218) = 'N-C12H26 + HO2 -> C5H10 + C4H81-C4H8 + N-C3H7 + H2O2' reacexp(219) = 'N-C12H26 -> C6H12 + 2 N-C3H7' reacexp(220) = 'N-C12H26 + CH3 -> C6H12 + C3H6 + N-C3H7 + CH4' reacexp(221) = 'N-C12H26 + O -> C6H12 + C3H6 + N-C3H7 + OH' reacexp(222) = 'N-C12H26 -> C4H81-C4H8 + C2H4 + 2 N-C3H7' reacexp(223) = 'N-C12H26 + OH -> C5H10 + C4H81-C4H8 + N-C3H7 + H2O' reacexp(224) = 'N-C12H26 -> C6H12 + C2H4 + N-C3H7 + CH3' reacexp(225) = 'N-C12H26 + H -> C6H12 + C3H6 + N-C3H7 + H2' reacexp(226) = 'N-C12H26 -> 2 C3H6 + 2 N-C3H7' reacexp(227) = 'N-C12H26 + H -> C5H10 + C4H81-C4H8 + N-C3H7 + H2' reacexp(228) = 'N-C12H26 + OH -> C6H12 + C3H6 + N-C3H7 + H2O' reacexp(229) = 'N-C12H26 + HO2 -> C6H12 + C3H6 + N-C3H7 + H2O2' reacexp(230) = 'N-C12H26 + OH -> C6H12 + C3H6 + N-C3H7 + H2O' reacexp(231) = 'N-C12H26 + O2 -> C5H10 + C4H81-C4H8 + N-C3H7 + HO2' reacexp(232) = 'N-C12H26 + CH3 -> C5H10 + C4H81-C4H8 + N-C3H7 + CH4' reacexp(233) = 'N-C12H26 + O -> C5H10 + C4H81-C4H8 + N-C3H7 + OH' reacexp(234) = 'N-C12H26 + HO2 -> C6H12 + C3H6 + N-C3H7 + H2O2' reacexp(235) = 'N-C12H26 + H -> C6H12 + C3H6 + N-C3H7 + H2' reacexp(236) = 'N-C12H26 + O2 -> C6H12 + C3H6 + N-C3H7 + HO2' reacexp(237) = 'N + OH -> NO + H' reacexp(238) = 'N + H2 -> NH + H' reacexp(239) = 'N + CO2 -> NO + CO' reacexp(240) = 'N + CO + M81 -> NCO + M81' reacexp(241) = 'N + O2 -> NO + O' reacexp(242) = 'N + H2O -> NH + OH' reacexp(243) = 'NH + O -> NO + H' reacexp(244) = 'NH + OH -> NH2 + O' reacexp(245) = 'NH + CO -> NCO + H' reacexp(246) = 'NH + CO + M79 -> HNCO + M79' reacexp(247) = 'NH + OH -> N + H2O' reacexp(248) = 'NH + OH -> HNO + H' reacexp(249) = 'NH + H2O -> NH2 + OH' reacexp(250) = 'NH + O2 -> HNO + O' reacexp(251) = 'NH + H2 -> NH2 + H' reacexp(252) = 'NH + O2 -> NO + OH' reacexp(253) = 'NH + H -> N + H2' reacexp(254) = 'NH2 + CO -> HNCO + H' reacexp(255) = 'NH2 + O -> NH + OH' reacexp(256) = 'NH2 + OH -> NH + H2O' reacexp(257) = 'NH2 + O -> HNO + H' reacexp(258) = 'NH2 + H -> NH + H2' reacexp(259) = 'NO + O2 -> NO2 + O' reacexp(260) = 'N + NO -> N2 + O' reacexp(261) = 'C2H2 + NO -> HCO + HCN' reacexp(262) = 'NO + OH -> NO2 + H' reacexp(263) = 'HCCO + NO -> HCN + CO2' reacexp(264) = 'NO + HO2 -> NO2 + OH' reacexp(265) = 'HO2 + NO -> HNO + O2' reacexp(266) = 'CH + NO -> HCO + N' reacexp(267) = 'NO + O -> N + O2' reacexp(268) = 'NO + OH -> HNO + O' reacexp(269) = 'H2 + NO -> HNO + H' reacexp(270) = 'CO2 + NO -> NO2 + CO' reacexp(271) = 'CH2 + NO -> HCN + OH' reacexp(272) = 'CH + NO -> NCO + H' reacexp(273) = 'CH2D-CH2 + NO -> HCN + OH' reacexp(274) = 'NO + H -> NH + O' reacexp(275) = 'NO + C2H3 -> C2H2 + HNO' reacexp(276) = 'CH + NO -> HCN + O' reacexp(277) = 'NO + H2O -> HNO + OH' reacexp(278) = 'NO + O + M70 -> NO2 + M70' reacexp(279) = 'NO + CO -> N + CO2' reacexp(280) = 'NO + H -> N + OH' reacexp(281) = 'NO + H + M68 -> HNO + M68' reacexp(282) = 'NH + NO -> N2O + H' reacexp(283) = 'NH2 + NO -> N2 + H2O' reacexp(284) = 'CH3 + NO -> HCN + H2O' reacexp(285) = 'NO + HCO -> HNO + CO' reacexp(286) = 'NH + NO -> N2 + OH' reacexp(287) = 'HNO + H -> H2 + NO' reacexp(288) = 'HNO + O -> NO + OH' reacexp(289) = 'HNO + O -> NH + O2' reacexp(290) = 'HNO + H -> NH + OH' reacexp(291) = 'HNO + OH -> NO + H2O' reacexp(292) = 'C2H2 + HNO -> NO + C2H3' reacexp(293) = 'HNO + O2 -> HO2 + NO' reacexp(294) = 'HNO + M69 -> NO + H + M69' reacexp(295) = 'HNO + CO -> NO + HCO' reacexp(296) = 'NO2 + M71 -> NO + O + M71' reacexp(297) = 'NH2 + NO2 -> N2O + H2O' reacexp(298) = 'NO2 + CH2 -> CH2O + NO' reacexp(299) = 'NO2 + CO -> CO2 + NO' reacexp(300) = 'NO2 + O -> NO + O2' reacexp(301) = 'NH + NO2 -> N2O + OH' reacexp(302) = 'NO2 + HCO -> H + CO2 + NO' reacexp(303) = 'NO2 + H -> NO + OH' reacexp(304) = 'NO2 + OH -> NO + HO2' reacexp(305) = 'HCN + O -> NCO + H' reacexp(306) = 'HCN + N -> N2 + CH' reacexp(307) = 'HCN + OH -> HNCO + H' reacexp(308) = 'HCN + O -> NH + CO' reacexp(309) = 'HCN + OH -> NH2 + CO' reacexp(310) = 'NCO + C2H2 -> HCCO + HCN' reacexp(311) = 'NCO + OH -> NO + HCO' reacexp(312) = 'NCO + O2 -> NO + CO2' reacexp(313) = 'NCO + NO -> N2 + CO2' reacexp(314) = 'NCO + NO -> N2O + CO' reacexp(315) = 'NCO + H -> NH + CO' reacexp(316) = 'NCO + M80 -> N + CO + M80' reacexp(317) = 'NCO + H2 -> HNCO + H' reacexp(318) = 'NCO + CH2O -> HNCO + HCO' reacexp(319) = 'NCO + OH -> HNCO + O' reacexp(320) = 'NCO + C2H6 -> C2H5 + HNCO' reacexp(321) = 'NCO + H -> HCN + O' reacexp(322) = 'NCO + H2O -> HNCO + OH' reacexp(323) = 'NCO + HO2 -> HNCO + O2' reacexp(324) = 'NCO + CH4 -> CH3 + HNCO' reacexp(325) = 'NCO + O -> NO + CO' reacexp(326) = 'HNCO + H -> NH2 + CO' reacexp(327) = 'HNCO + O -> NH + CO2' reacexp(328) = 'HNCO + H -> NCO + H2' reacexp(329) = 'HNCO + OH -> NCO + H2O' reacexp(330) = 'HNCO + O -> NCO + OH' reacexp(331) = 'HNCO + M78 -> NH + CO + M78' reacexp(332) = 'CH3 + HNCO -> NCO + CH4' reacexp(333) = 'HNCO + H -> HCN + OH' reacexp(334) = 'N2 + O2 -> N2O + O' reacexp(335) = 'N2 + OH -> N2O + H' reacexp(336) = 'NO + H + N2 -> HNO + N2' reacexp(337) = 'N2 + O + M77 -> N2O + M77' reacexp(338) = 'HNO + N2 -> NO + H + N2' reacexp(339) = 'N2 + O -> N + NO' reacexp(340) = 'N2 + HO2 -> N2O + OH' reacexp(341) = 'N2 + H2O -> NH2 + NO' reacexp(342) = 'N2 + CH -> HCN + N' reacexp(343) = 'N2 + OH -> NH + NO' reacexp(344) = 'N2 + CO2 -> N2O + CO' reacexp(345) = 'CH2D-CH2 + N2 -> CH2 + N2' reacexp(346) = 'N2O + O -> 2 NO' reacexp(347) = 'N2O + H -> NH + NO' reacexp(348) = 'N2O + H -> N2 + OH' reacexp(349) = 'N2O + CH -> HCN + NO' reacexp(350) = 'N2O + CO -> N2 + CO2' reacexp(351) = 'N2O + M76 -> N2 + O + M76' reacexp(352) = 'N2O + O -> N2 + O2' reacexp(353) = 'N2O + OH -> N2 + HO2' reacexp(354) = 'Reverse of O + H + M3 -> OH + M3' reacexp(355) = 'Reverse of O + H2 -> H + OH' reacexp(356) = 'Reverse of 2 OH + M6 -> H2O2 + M6' reacexp(357) = 'Reverse of OH + H2 -> H + H2O' reacexp(358) = 'Reverse of H + OH + M2 -> H2O + M2' reacexp(359) = 'Reverse of 2 OH -> O + H2O' reacexp(360) = 'Reverse of H + O2 -> O + OH' reacexp(361) = 'Reverse of H + O2 + M5 -> HO2 + M5' reacexp(362) = 'Reverse of H2 + O2 -> HO2 + H' reacexp(363) = 'Reverse of HO2 + H -> 2 OH' reacexp(364) = 'Reverse of OH + HO2 -> H2O + O2' reacexp(365) = 'Reverse of OH + HO2 -> H2O + O2' reacexp(366) = 'Reverse of HO2 + O -> OH + O2' reacexp(367) = 'Reverse of OH + HO2 -> H2O + O2' reacexp(368) = 'Reverse of 2 HO2 -> O2 + H2O2' reacexp(369) = 'Reverse of H2O2 + H -> HO2 + H2' reacexp(370) = 'Reverse of H2O2 + OH -> HO2 + H2O' reacexp(371) = 'Reverse of H2O2 + OH -> HO2 + H2O' reacexp(372) = 'Reverse of CH + H2 -> CH2 + H' reacexp(373) = 'Reverse of CH2 + H2 -> H + CH3' reacexp(374) = 'Reverse of CH2 + OH -> CH + H2O' reacexp(375) = 'Reverse of CH2D-CH2 + H -> CH + H2' reacexp(376) = 'Reverse of CH2D-CH2 + H2O -> CH2 + H2O' reacexp(377) = 'Reverse of CH2D-CH2 + H2 -> CH3 + H' reacexp(378) = 'Reverse of CH3 + H + M17 -> CH4 + M17' reacexp(379) = 'Reverse of CH3 + OH -> CH2 + H2O' reacexp(380) = 'Reverse of CH3 + OH -> CH2D-CH2 + H2O' reacexp(381) = 'Reverse of 2 CH3 -> H + C2H5' reacexp(382) = 'Reverse of 2 CH3 + M19 -> C2H6 + M19' reacexp(383) = 'Reverse of CH3 + H2O2 -> CH4 + HO2' reacexp(384) = 'Reverse of CH3 + O2 -> O + CH3O' reacexp(385) = 'Reverse of CH4 + OH -> CH3 + H2O' reacexp(386) = 'Reverse of CH4 + CH2D-CH2 -> 2 CH3' reacexp(387) = 'Reverse of CH4 + O -> CH3 + OH' reacexp(388) = 'Reverse of CH4 + H -> CH3 + H2' reacexp(389) = 'Reverse of CH4 + CH2 -> 2 CH3' reacexp(390) = 'Reverse of CH2D-CH2 + CO -> CH2 + CO' reacexp(391) = 'Reverse of CH + CO + M10 -> HCCO + M10' reacexp(392) = 'Reverse of CO + OH -> CO2 + H' reacexp(393) = 'Reverse of CO + O + M7 -> CO2 + M7' reacexp(394) = 'Reverse of CH2 + CO + M13 -> CH2CO + M13' reacexp(395) = 'Reverse of CO + O2 -> CO2 + O' reacexp(396) = 'Reverse of CO + OH -> CO2 + H' reacexp(397) = 'Reverse of HCO + M8 -> CO + H + M8' reacexp(398) = 'Reverse of HCO + H + M11 -> CH2O + M11' reacexp(399) = 'Reverse of HCO + H2O -> CO + H + H2O' reacexp(400) = 'Reverse of HCO + H -> CO + H2' reacexp(401) = 'Reverse of CH2O + H -> HCO + H2' reacexp(402) = 'Reverse of CH2O + O2 -> HCO + HO2' reacexp(403) = 'Reverse of CH2O + H + M16 -> CH3O + M16' reacexp(404) = 'Reverse of CH3O + H -> CH3 + OH' reacexp(405) = 'Reverse of CH3O + H -> CH2D-CH2 + H2O' reacexp(406) = 'Reverse of CH2D-CH2 + CO2 -> CH2 + CO2' reacexp(407) = 'Reverse of C2H + H2 -> H + C2H2' reacexp(408) = 'Reverse of C2H2 + O -> C2H + OH' reacexp(409) = 'Reverse of C2H2 + OH -> C2H + H2O' reacexp(410) = 'Reverse of C2H2 + O -> HCCO + H' reacexp(411) = 'Reverse of C2H2 + HCO -> C2H3 + CO' reacexp(412) = 'Reverse of C2H3 + CH3 + M30 -> C3H6 + M30' reacexp(413) = 'Reverse of C2H3 + O2 -> C2H2 + HO2' reacexp(414) = 'Reverse of C2H3 + CH3 -> A-C3H5 + H' reacexp(415) = 'Reverse of C2H3 + H + M29 -> C2H4 + M29' reacexp(416) = 'Reverse of C2H3 + M24 -> C2H2 + H + M24' reacexp(417) = 'Reverse of C2H4 + CH3 -> N-C3H7' reacexp(418) = 'Reverse of C2H4 + CH2 -> A-C3H5 + H' reacexp(419) = 'Reverse of C2H4 + CH2D-CH2 -> A-C3H5 + H' reacexp(420) = 'Reverse of C2H4 + H -> C2H3 + H2' reacexp(421) = 'Reverse of C2H4 + O -> C2H3 + OH' reacexp(422) = 'Reverse of C2H4 + HCO -> C2H5 + CO' reacexp(423) = 'Reverse of C2H4 + CH3 -> C2H3 + CH4' reacexp(424) = 'Reverse of C2H4 + H + M36 -> C2H5 + M36' reacexp(425) = 'Reverse of C2H4 + OH -> C2H3 + H2O' reacexp(426) = 'Reverse of C2H5 + O2 -> C2H4 + HO2' reacexp(427) = 'Reverse of C2H5 + H + M37 -> C2H6 + M37' reacexp(428) = 'Reverse of C2H6 + OH -> C2H5 + H2O' reacexp(429) = 'Reverse of C2H6 + H -> C2H5 + H2' reacexp(430) = 'Reverse of HCCO + H -> CH2D-CH2 + CO' reacexp(431) = 'Reverse of CH2CO + O -> HCCO + OH' reacexp(432) = 'Reverse of CH2CO + OH -> HCCO + H2O' reacexp(433) = 'Reverse of CH2CO + H -> HCCO + H2' reacexp(434) = 'Reverse of CH2CO + H + M28 -> CH2CHO + M28' reacexp(435) = 'Reverse of CH2CO + H -> CH3 + CO' reacexp(436) = 'Reverse of CH2CHO + O2 -> CH2CO + HO2' reacexp(437) = 'Reverse of CH2CHO + H -> CH3 + HCO' reacexp(438) = 'Reverse of A-C3H5 + HO2 -> C3H6 + O2' reacexp(439) = 'Reverse of A-C3H5 + CH3 + M42 -> C4H81-C4H8 + M42' reacexp(440) = 'Reverse of A-C3H5 + H + M41 -> C3H6 + M41' reacexp(441) = 'Reverse of C3H6 + H + M43 -> N-C3H7 + M43' reacexp(442) = 'Reverse of C3H6 + H -> C2H4 + CH3' reacexp(443) = 'Reverse of C3H6 + H -> A-C3H5 + H2' reacexp(444) = 'Reverse of C3H6 + C2H3 -> C4H6 + CH3' reacexp(445) = 'Reverse of C3H6 + OH -> A-C3H5 + H2O' reacexp(446) = 'Reverse of N-C3H7 + O2 -> C3H6 + HO2' reacexp(447) = 'Reverse of C4H6 + H -> C2H4 + C2H3' reacexp(448) = 'Reverse of C4H7 -> C4H6 + H' reacexp(449) = 'Reverse of C4H81-C4H8 + H -> C3H6 + CH3' reacexp(450) = 'Reverse of C4H81-C4H8 + H -> C4H7 + H2' reacexp(451) = 'Reverse of C4H81-C4H8 + H -> C2H4 + C2H5' reacexp(452) = 'Reverse of CH2D-CH2 + N2 -> CH2 + N2' end subroutine reaction_expressions ! --- Forward/Backward link --- ! subroutine reverse_reactions implicit none fofb = 0 ! Attach corresponding forward reaction to each backward reaction fofb(354) = 2 fofb(355) = 4 fofb(356) = 5 fofb(357) = 6 fofb(358) = 7 fofb(359) = 8 fofb(360) = 10 fofb(361) = 11 fofb(362) = 12 fofb(363) = 13 fofb(364) = 14 fofb(365) = 15 fofb(366) = 16 fofb(367) = 17 fofb(368) = 20 fofb(369) = 22 fofb(370) = 24 fofb(371) = 26 fofb(372) = 27 fofb(373) = 32 fofb(374) = 37 fofb(375) = 43 fofb(376) = 46 fofb(377) = 47 fofb(378) = 48 fofb(379) = 49 fofb(380) = 51 fofb(381) = 52 fofb(382) = 53 fofb(383) = 58 fofb(384) = 61 fofb(385) = 62 fofb(386) = 63 fofb(387) = 65 fofb(388) = 66 fofb(389) = 67 fofb(390) = 68 fofb(391) = 69 fofb(392) = 70 fofb(393) = 71 fofb(394) = 72 fofb(395) = 73 fofb(396) = 74 fofb(397) = 78 fofb(398) = 79 fofb(399) = 82 fofb(400) = 84 fofb(401) = 86 fofb(402) = 87 fofb(403) = 89 fofb(404) = 94 fofb(405) = 97 fofb(406) = 102 fofb(407) = 104 fofb(408) = 108 fofb(409) = 112 fofb(410) = 113 fofb(411) = 114 fofb(412) = 116 fofb(413) = 118 fofb(414) = 121 fofb(415) = 122 fofb(416) = 128 fofb(417) = 129 fofb(418) = 132 fofb(419) = 133 fofb(420) = 134 fofb(421) = 135 fofb(422) = 136 fofb(423) = 137 fofb(424) = 138 fofb(425) = 139 fofb(426) = 140 fofb(427) = 144 fofb(428) = 149 fofb(429) = 151 fofb(430) = 156 fofb(431) = 157 fofb(432) = 159 fofb(433) = 160 fofb(434) = 161 fofb(435) = 162 fofb(436) = 166 fofb(437) = 169 fofb(438) = 170 fofb(439) = 171 fofb(440) = 172 fofb(441) = 175 fofb(442) = 177 fofb(443) = 178 fofb(444) = 180 fofb(445) = 184 fofb(446) = 186 fofb(447) = 192 fofb(448) = 200 fofb(449) = 201 fofb(450) = 202 fofb(451) = 209 fofb(452) = 345 end subroutine reverse_reactions ! --- Evaluation of QSS concentrations --- ! subroutine get_QSS(cqss,c,k,M) implicit none real(pr), dimension(nqss) :: cqss real(pr), dimension(nspec) :: c real(pr), dimension(nreac) :: k real(pr), dimension(38) :: M real(pr) :: CH_denom1& , CH_ct1& , CH_denom2& , CH_ct2& , CH_HCO& , CH_C2H5& , CH_C2H3& , CH_N& , CH_NCO& , CH_NH& , CH_NH2& , CH_HNCO& , CH_HNO& , CH_CH2CHO& , CH_HCO_coeff& , CH_C2H5_coeff& , CH_C2H3_coeff& , CH_N_coeff& , CH_NCO_coeff& , CH_NH_coeff& , CH_NH2_coeff& , CH_HNCO_coeff& , CH_HNO_coeff& , CH_CH2CHO_coeff real(pr) :: AXC3H5_denom1& , AXC3H5_ct1& , AXC3H5_denom2& , AXC3H5_ct2& , AXC3H5_CH2& , AXC3H5_HCCO& , AXC3H5_CH3O& , AXC3H5_CH& , AXC3H5_HCO& , AXC3H5_C2H5& , AXC3H5_C2H3& , AXC3H5_N& , AXC3H5_NCO& , AXC3H5_NH& , AXC3H5_NH2& , AXC3H5_HNCO& , AXC3H5_HNO& , AXC3H5_CH2CHO& , AXC3H5_CH2_coeff& , AXC3H5_HCCO_coeff& , AXC3H5_CH3O_coeff& , AXC3H5_CH_coeff& , AXC3H5_HCO_coeff& , AXC3H5_C2H5_coeff& , AXC3H5_C2H3_coeff& , AXC3H5_N_coeff& , AXC3H5_NCO_coeff& , AXC3H5_NH_coeff& , AXC3H5_NH2_coeff& , AXC3H5_HNCO_coeff& , AXC3H5_HNO_coeff& , AXC3H5_CH2CHO_coeff real(pr) :: HNCO_denom1& , HNCO_ct1& , HNCO_denom2& , HNCO_ct2& , HNCO_HNO& , HNCO_CH2CHO& , HNCO_HNO_coeff& , HNCO_CH2CHO_coeff real(pr) :: NH2_denom1& , NH2_ct1& , NH2_denom2& , NH2_ct2& , NH2_HNCO& , NH2_HNO& , NH2_CH2CHO& , NH2_HNCO_coeff& , NH2_HNO_coeff& , NH2_CH2CHO_coeff real(pr) :: C2H5_denom1& , C2H5_ct1& , C2H5_denom2& , C2H5_ct2& , C2H5_C2H3& , C2H5_N& , C2H5_NCO& , C2H5_NH& , C2H5_NH2& , C2H5_HNCO& , C2H5_HNO& , C2H5_CH2CHO& , C2H5_C2H3_coeff& , C2H5_N_coeff& , C2H5_NCO_coeff& , C2H5_NH_coeff& , C2H5_NH2_coeff& , C2H5_HNCO_coeff& , C2H5_HNO_coeff& , C2H5_CH2CHO_coeff real(pr) :: C2H3_denom1& , C2H3_ct1& , C2H3_denom2& , C2H3_ct2& , C2H3_N& , C2H3_NCO& , C2H3_NH& , C2H3_NH2& , C2H3_HNCO& , C2H3_HNO& , C2H3_CH2CHO& , C2H3_N_coeff& , C2H3_NCO_coeff& , C2H3_NH_coeff& , C2H3_NH2_coeff& , C2H3_HNCO_coeff& , C2H3_HNO_coeff& , C2H3_CH2CHO_coeff real(pr) :: CH2CHO_denom1& , CH2CHO_ct1& , CH2CHO_denom2& , CH2CHO_ct2 real(pr) :: HNO_denom1& , HNO_ct1& , HNO_denom2& , HNO_ct2& , HNO_CH2CHO& , HNO_CH2CHO_coeff real(pr) :: HCCO_denom1& , HCCO_ct1& , HCCO_denom2& , HCCO_ct2& , HCCO_CH3O& , HCCO_CH& , HCCO_HCO& , HCCO_C2H5& , HCCO_C2H3& , HCCO_N& , HCCO_NCO& , HCCO_NH& , HCCO_NH2& , HCCO_HNCO& , HCCO_HNO& , HCCO_CH2CHO& , HCCO_CH3O_coeff& , HCCO_CH_coeff& , HCCO_HCO_coeff& , HCCO_C2H5_coeff& , HCCO_C2H3_coeff& , HCCO_N_coeff& , HCCO_NCO_coeff& , HCCO_NH_coeff& , HCCO_NH2_coeff& , HCCO_HNCO_coeff& , HCCO_HNO_coeff& , HCCO_CH2CHO_coeff real(pr) :: N_denom1& , N_ct1& , N_denom2& , N_ct2& , N_NCO& , N_NH& , N_NH2& , N_HNCO& , N_HNO& , N_CH2CHO& , N_NCO_coeff& , N_NH_coeff& , N_NH2_coeff& , N_HNCO_coeff& , N_HNO_coeff& , N_CH2CHO_coeff real(pr) :: NCO_denom1& , NCO_ct1& , NCO_denom2& , NCO_ct2& , NCO_NH& , NCO_NH2& , NCO_HNCO& , NCO_HNO& , NCO_CH2CHO& , NCO_NH_coeff& , NCO_NH2_coeff& , NCO_HNCO_coeff& , NCO_HNO_coeff& , NCO_CH2CHO_coeff real(pr) :: NH_denom1& , NH_ct1& , NH_denom2& , NH_ct2& , NH_NH2& , NH_HNCO& , NH_HNO& , NH_CH2CHO& , NH_NH2_coeff& , NH_HNCO_coeff& , NH_HNO_coeff& , NH_CH2CHO_coeff real(pr) :: CH2DXCH2_denom1& , CH2DXCH2_ct1& , CH2DXCH2_denom2& , CH2DXCH2_ct2& , CH2DXCH2_AXC3H5& , CH2DXCH2_CH2& , CH2DXCH2_HCCO& , CH2DXCH2_CH3O& , CH2DXCH2_CH& , CH2DXCH2_HCO& , CH2DXCH2_C2H5& , CH2DXCH2_C2H3& , CH2DXCH2_N& , CH2DXCH2_NCO& , CH2DXCH2_NH& , CH2DXCH2_NH2& , CH2DXCH2_HNCO& , CH2DXCH2_HNO& , CH2DXCH2_CH2CHO& , CH2DXCH2_AXC3H5_coeff& , CH2DXCH2_CH2_coeff& , CH2DXCH2_HCCO_coeff& , CH2DXCH2_CH3O_coeff& , CH2DXCH2_CH_coeff& , CH2DXCH2_HCO_coeff& , CH2DXCH2_C2H5_coeff& , CH2DXCH2_C2H3_coeff& , CH2DXCH2_N_coeff& , CH2DXCH2_NCO_coeff& , CH2DXCH2_NH_coeff& , CH2DXCH2_NH2_coeff& , CH2DXCH2_HNCO_coeff& , CH2DXCH2_HNO_coeff& , CH2DXCH2_CH2CHO_coeff real(pr) :: CH3O_denom1& , CH3O_ct1& , CH3O_denom2& , CH3O_ct2& , CH3O_CH& , CH3O_HCO& , CH3O_C2H5& , CH3O_C2H3& , CH3O_N& , CH3O_NCO& , CH3O_NH& , CH3O_NH2& , CH3O_HNCO& , CH3O_HNO& , CH3O_CH2CHO& , CH3O_CH_coeff& , CH3O_HCO_coeff& , CH3O_C2H5_coeff& , CH3O_C2H3_coeff& , CH3O_N_coeff& , CH3O_NCO_coeff& , CH3O_NH_coeff& , CH3O_NH2_coeff& , CH3O_HNCO_coeff& , CH3O_HNO_coeff& , CH3O_CH2CHO_coeff real(pr) :: HCO_denom1& , HCO_ct1& , HCO_denom2& , HCO_ct2& , HCO_C2H5& , HCO_C2H3& , HCO_N& , HCO_NCO& , HCO_NH& , HCO_NH2& , HCO_HNCO& , HCO_HNO& , HCO_CH2CHO& , HCO_C2H5_coeff& , HCO_C2H3_coeff& , HCO_N_coeff& , HCO_NCO_coeff& , HCO_NH_coeff& , HCO_NH2_coeff& , HCO_HNCO_coeff& , HCO_HNO_coeff& , HCO_CH2CHO_coeff real(pr) :: CH2_denom1& , CH2_ct1& , CH2_denom2& , CH2_ct2& , CH2_HCCO& , CH2_CH3O& , CH2_CH& , CH2_HCO& , CH2_C2H5& , CH2_C2H3& , CH2_N& , CH2_NCO& , CH2_NH& , CH2_NH2& , CH2_HNCO& , CH2_HNO& , CH2_CH2CHO& , CH2_HCCO_coeff& , CH2_CH3O_coeff& , CH2_CH_coeff& , CH2_HCO_coeff& , CH2_C2H5_coeff& , CH2_C2H3_coeff& , CH2_N_coeff& , CH2_NCO_coeff& , CH2_NH_coeff& , CH2_NH2_coeff& , CH2_HNCO_coeff& , CH2_HNO_coeff& , CH2_CH2CHO_coeff ! cqss(sC4H7) (uncoupled) -------------------- cqss(sC4H7-nspec) = ( 0.0_pr & + k(r210b) * c(sH) * c(sC4H6) & + k(r212f) * c(sC4H81XC4H8) * c(sH) & + k(r214) * c(sC4H81XC4H8) * c(sHO2) & + k(r215) * c(sC4H81XC4H8) * c(sOH) & + k(r216) * c(sC4H81XC4H8) * c(sO) & + k(r217) * c(sC4H81XC4H8) * c(sO) & + k(r218) * c(sC4H81XC4H8) * c(sCH3) & ) / ( tiny(1.0_pr) + ( & + k(r203) * c(sH) & + k(r204) * c(sHO2) & + k(r205) * c(sCH3) & + k(r206) * c(sH) & + k(r207) & + k(r208) * c(sO2) & + k(r209) * c(sH) & + k(r210f) & + k(r212b) * c(sH2) ) ) ! cqss(sC2H) (uncoupled) -------------------- cqss(sC2H-nspec) = ( 0.0_pr & + k(r106b) * c(sC2H2) * c(sH) & + k(r110f) * c(sC2H2) * c(sO) & + k(r114f) * c(sC2H2) * c(sOH) & ) / ( tiny(1.0_pr) + ( & + k(r105) * c(sO2) & + k(r106f) * c(sH2) & + k(r107) * c(sH) & + k(r108) * c(sOH) & + k(r109) * c(sO) & + k(r110b) * c(sOH) & + k(r114b) * c(sH2O) ) ) ! cqss(sNXC3H7) (uncoupled) -------------------- cqss(sNXC3H7-nspec) = ( 0.0_pr & + k(r132f) * c(sC2H4) * c(sCH3) & + k(r184f) * c(sC3H6) * c(sH) & + k(r195b) * c(sHO2) * c(sC3H6) & + k(r213) * c(sC4H81XC4H8) * c(sO) & + k(r222) * c(sC5H10) * c(sH) & + k(r225) * c(sC6H12) * c(sH) & + k(r226) * c(sC6H12) * c(sO) & + k(r228) * c(sNXC12H26) * c(sO) & + k(r229) * c(sNXC12H26) * c(sCH3) & + k(r230) * c(sNXC12H26) * c(sHO2) & + k(r231) * 2.0 * c(sNXC12H26) & + k(r232) * c(sNXC12H26) * c(sCH3) & + k(r233) * c(sNXC12H26) * c(sO) & + k(r234) * 2.0 * c(sNXC12H26) & + k(r235) * c(sNXC12H26) * c(sOH) & + k(r236) * c(sNXC12H26) & + k(r237) * c(sNXC12H26) * c(sH) & + k(r238) * 2.0 * c(sNXC12H26) & + k(r239) * c(sNXC12H26) * c(sH) & + k(r240) * c(sNXC12H26) * c(sOH) & + k(r241) * c(sNXC12H26) * c(sHO2) & + k(r242) * c(sNXC12H26) * c(sOH) & + k(r243) * c(sNXC12H26) * c(sO2) & + k(r244) * c(sNXC12H26) * c(sCH3) & + k(r245) * c(sNXC12H26) * c(sO) & + k(r246) * c(sNXC12H26) * c(sHO2) & + k(r247) * c(sNXC12H26) * c(sH) & + k(r248) * c(sNXC12H26) * c(sO2) & ) / ( tiny(1.0_pr) + ( & + k(r132b) & + k(r184b) & + k(r194) * c(sOH) & + k(r195f) * c(sO2) & + k(r196) * c(sCH3) & + k(r197) * c(sH) & + k(r198) * c(sHO2) & + k(r199) * c(sO) & + k(r200) * c(sH) ) ) ! c(sCH2DXCH2) c(sAXC3H5) c(sCH2) c(sHCCO) c(sCH3O) c(sCH) c(sHCO) c(sC2H5) c(sC2H3) c(sN) c(sNCO) c(sNH) c(sNH2) c(sHNCO) c(sHNO) c(sCH2CHO) (coupled) -------------------- ! Primary denominators----------------------- CH2DXCH2_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r42) * c(sO) & + k(r43) * c(sO2) & + k(r44) * c(sOH) & + k(r45f) * c(sH) & + k(r46) * c(sO2) & + k(r47) * c(sO) & + k(r48f) * c(sH2O) & + k(r49f) * c(sH2) & + k(r53b) * c(sH2O) & + k(r57) * c(sCH3) & + k(r65f) * c(sCH4) & + k(r70f) * c(sCO) & + k(r99b) * c(sH2O) & + k(r103) * c(sCO2) & + k(r104f) * c(sCO2) & + k(r136f) * c(sC2H4) & + k(r157) * c(sC2H6) & + k(r163b) * c(sCO) & + k(r289) * c(sNO) & + k(r362f) * c(sN2) & ) AXC3H5_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r123b) * c(sH) & + k(r135b) * c(sH) & + k(r136b) * c(sH) & + k(r179f) * c(sHO2) & + k(r180f) * c(sCH3) & + k(r181f) * c(sH) & + k(r182) * c(sHO2) & + k(r183) & + k(r187b) * c(sH2) & + k(r193b) * c(sH2O) & ) CH2_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r27b) * c(sH) & + k(r32f) * c(sH2) & + k(r34) * c(sO) & + k(r35) * c(sOH) & + k(r37) * c(sO2) & + k(r38) * c(sH) & + k(r39f) * c(sOH) & + k(r40) * c(sHO2) & + k(r41) * c(sO2) & + k(r48b) * c(sH2O) & + k(r51b) * c(sH2O) & + k(r56) * c(sCH3) & + k(r69f) * c(sCH4) & + k(r70b) * c(sCO) & + k(r74f) * c(sCO) & + k(r104b) * c(sCO2) & + k(r135f) * c(sC2H4) & + k(r287) * c(sNO) & + k(r314) * c(sNO2) & + k(r362b) * c(sN2) & ) HCCO_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r71b) & + k(r115b) * c(sH) & + k(r159) * c(sO) & + k(r160) * c(sCH3) & + k(r162) * c(sO2) & + k(r163f) * c(sH) & + k(r165b) * c(sOH) & + k(r167b) * c(sH2O) & + k(r168b) * c(sH2) & + k(r279) * c(sNO) & ) CH3O_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r63b) * c(sO) & + k(r91b) & + k(r96f) * c(sH) & + k(r97) * c(sOH) & + k(r98) * c(sO2) & + k(r99f) * c(sH) & + k(r100) * c(sO) & + k(r101) * c(sH) & ) CH_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r27f) * c(sH2) & + k(r28) * c(sO) & + k(r29) * c(sOH) & + k(r30) * c(sO2) & + k(r31) * c(sH2O) & + k(r39b) * c(sH2O) & + k(r45b) * c(sH2) & + k(r58) * c(sCH3) & + k(r66) * c(sCH4) & + k(r71f) * c(sCO) & + k(r87) * c(sCH2O) & + k(r102) * c(sCO2) & + k(r282) * c(sNO) & + k(r288) * c(sNO) & + k(r292) * c(sNO) & + k(r359) * c(sN2) & + k(r366) * c(sN2O) & ) HCO_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r78) * c(sO) & + k(r79) * c(sO2) & + k(r80f) * M(mM8) & + k(r81f) * c(sH) & + k(r82) * c(sOH) & + k(r83) * c(sCH3) & + k(r84f) * c(sH2O) & + k(r85) * c(sO) & + k(r86f) * c(sH) & + k(r88b) * c(sH2) & + k(r89b) * c(sHO2) & + k(r116f) * c(sC2H2) & + k(r139f) * c(sC2H4) & + k(r177b) * c(sCH3) & + k(r301) * c(sNO) & + k(r318) * c(sNO2) & ) C2H5_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r54b) * c(sH) & + k(r139b) * c(sCO) & + k(r141b) & + k(r143f) * c(sO2) & + k(r145) * c(sHO2) & + k(r146) * c(sO) & + k(r147) * c(sH) & + k(r148f) * c(sH) & + k(r150) * c(sHO2) & + k(r151) * c(sHO2) & + k(r154b) * c(sH2O) & + k(r156b) * c(sH2) & + k(r219b) * c(sC2H4) & ) C2H3_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r116b) * c(sCO) & + k(r117) * c(sHO2) & + k(r118f) * c(sCH3) & + k(r119) * c(sO2) & + k(r120f) * c(sO2) & + k(r121) * c(sCH3) & + k(r122) * c(sO) & + k(r123f) * c(sCH3) & + k(r124f) * c(sH) & + k(r125) * c(sO) & + k(r127) * c(sOH) & + k(r128) * c(sO2) & + k(r129) * c(sHO2) & + k(r130) * c(sH) & + k(r131f) & + k(r137b) * c(sH2) & + k(r138b) * c(sOH) & + k(r140b) * c(sCH4) & + k(r142b) * c(sH2O) & + k(r189f) * c(sC3H6) & + k(r201b) * c(sC2H4) & + k(r291) * c(sNO) & ) N_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r249) * c(sOH) & + k(r250) * c(sH2) & + k(r251) * c(sCO2) & + k(r253) * c(sCO) * M(mM81) & + k(r254) * c(sO2) & + k(r257) * c(sH2O) & + k(r276) * c(sNO) & + k(r322) * c(sHCN) & ) NCO_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r326) * c(sC2H2) & + k(r327) * c(sOH) & + k(r328) * c(sO2) & + k(r329) * c(sNO) & + k(r330) * c(sNO) & + k(r331) * c(sH) & + k(r332) * M(mM80) & + k(r334) * c(sH2) & + k(r335) * c(sCH2O) & + k(r336) * c(sOH) & + k(r337) * c(sC2H6) & + k(r338) * c(sH) & + k(r339) * c(sH2O) & + k(r340) * c(sHO2) & + k(r341) * c(sCH4) & + k(r342) * c(sO) & ) NH_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r258) * c(sO) & + k(r259) * c(sOH) & + k(r260) * c(sCO) & + k(r261) * c(sCO) * M(mM79) & + k(r262) * c(sOH) & + k(r263) * c(sOH) & + k(r264) * c(sH2O) & + k(r265) * c(sO2) & + k(r266) * c(sH2) & + k(r267) * c(sO2) & + k(r268) * c(sH) & + k(r298) * c(sNO) & + k(r302) * c(sNO) & + k(r317) * c(sNO2) & ) NH2_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r269) * c(sCO) & + k(r270) * c(sO) & + k(r272) * c(sOH) & + k(r273) * c(sO) & + k(r274) * c(sH) & + k(r299) * c(sNO) & + k(r313) * c(sNO2) & ) HNCO_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r343) * c(sH) & + k(r344) * c(sO) & + k(r345) * c(sH) & + k(r346) * c(sOH) & + k(r347) * c(sO) & + k(r348) * M(mM78) & + k(r349) * c(sCH3) & + k(r350) * c(sH) & ) HNO_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r303) * c(sH) & + k(r304) * c(sO) & + k(r305) * c(sO) & + k(r306) * c(sH) & + k(r307) * c(sOH) & + k(r308) * c(sC2H2) & + k(r309) * c(sO2) & + k(r310) * M(mM69) & + k(r311) * c(sCO) & + k(r355) * c(sN2) & ) CH2CHO_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r169b) & + k(r171) * c(sH) & + k(r172) & + k(r173) * c(sOH) & + k(r174f) * c(sO2) & + k(r175) * c(sO2) & + k(r176) * c(sO) & + k(r177f) * c(sH) & ) ! Primary constant parts ----------------------- CH2DXCH2_ct1 = ( 0.0_pr & + k(r49b) * c(sH) * c(sCH3) & + k(r53f) * c(sCH3) * c(sOH) & + k(r65b) * c(sCH3) * c(sCH3) ) AXC3H5_ct1 = ( 0.0_pr & + k(r179b) * c(sO2) * c(sC3H6) & + k(r180b) * c(sC4H81XC4H8) & + k(r181b) * c(sC3H6) & + k(r185) * c(sC3H6) * c(sHO2) & + k(r187f) * c(sC3H6) * c(sH) & + k(r188) * c(sC3H6) * c(sO) & + k(r192) * c(sC3H6) * c(sCH3) & + k(r193f) * c(sC3H6) * c(sOH) & + k(r203) * cqss(sC4H7-nspec) *c(sH) & + k(r204) * cqss(sC4H7-nspec) *c(sHO2) ) CH2_ct1 = ( 0.0_pr & + k(r32b) * c(sCH3) * c(sH) & + k(r51f) * c(sCH3) * c(sOH) & + k(r69b) * c(sCH3) * c(sCH3) & + k(r74b) * c(sCH2CO) & + k(r111) * c(sC2H2) * c(sO) & + k(r134) * c(sC2H4) * c(sO) & + k(r166) * c(sCH2CO) * c(sO) ) HCCO_ct1 = ( 0.0_pr & + k(r108) * cqss(sC2H-nspec) *c(sOH) & + k(r115f) * c(sC2H2) * c(sO) & + k(r165f) * c(sCH2CO) * c(sO) & + k(r167f) * c(sCH2CO) * c(sOH) & + k(r168f) * c(sCH2CO) * c(sH) ) CH3O_ct1 = ( 0.0_pr & + k(r59) * c(sCH3) * c(sHO2) & + k(r63f) * c(sCH3) * c(sO2) & + k(r91f) * c(sCH2O) * c(sH) & + k(r96b) * c(sOH) * c(sCH3) ) CH_ct1 = ( 0.0_pr & + k(r109) * cqss(sC2H-nspec) *c(sO) ) HCO_ct1 = ( 0.0_pr & + k(r80b) * c(sH) * c(sCO) * M(mM8) & + k(r81b) * c(sCH2O) & + k(r84b) * c(sH2O) * c(sH) * c(sCO) & + k(r86b) * c(sH2) * c(sCO) & + k(r88f) * c(sCH2O) * c(sH) & + k(r89f) * c(sCH2O) * c(sO2) & + k(r90) * c(sCH2O) * c(sO) & + k(r92) * c(sCH3) * c(sCH2O) & + k(r93) * c(sCH2O) * c(sHO2) & + k(r94) * c(sCH2O) * c(sOH) & + k(r105) * cqss(sC2H-nspec) *c(sO2) & + k(r133) * c(sC2H4) * c(sO) & + k(r191) * c(sC3H6) * c(sO) & + k(r213) * c(sC4H81XC4H8) * c(sO) & + k(r226) * c(sC6H12) * c(sO) & + k(r277) * c(sC2H2) * c(sNO) ) C2H5_ct1 = ( 0.0_pr & + k(r54f) * c(sCH3) * c(sCH3) & + k(r141f) * c(sC2H4) * c(sH) & + k(r143b) * c(sHO2) * c(sC2H4) & + k(r148b) * c(sC2H6) & + k(r152) * c(sHO2) * c(sC2H6) & + k(r153) * c(sC2H6) * c(sO) & + k(r154f) * c(sC2H6) * c(sOH) & + k(r155) * c(sC2H6) * c(sCH3) & + k(r156f) * c(sC2H6) * c(sH) & + k(r191) * c(sC3H6) * c(sO) & + k(r198) * cqss(sNXC3H7-nspec) *c(sHO2) & + k(r199) * cqss(sNXC3H7-nspec) *c(sO) & + k(r200) * cqss(sNXC3H7-nspec) *c(sH) & + k(r219f) * c(sC4H81XC4H8) * c(sH) & + k(r220) * c(sC5H10) * c(sH) & + k(r227) * c(sC6H12) * c(sH) ) C2H3_ct1 = ( 0.0_pr & + k(r118b) * c(sC3H6) & + k(r120b) * c(sHO2) * c(sC2H2) & + k(r124b) * c(sC2H4) & + k(r131b) * c(sH) * c(sC2H2) & + k(r137f) * c(sC2H4) * c(sH) & + k(r138f) * c(sC2H4) * c(sO) & + k(r140f) * c(sC2H4) * c(sCH3) & + k(r142f) * c(sC2H4) * c(sOH) & + k(r189b) * c(sCH3) * c(sC4H6) & + k(r201f) * c(sC4H6) * c(sH) & + k(r207) * cqss(sC4H7-nspec) ) N_ct1 = ( 0.0_pr & + k(r283) * c(sNO) * c(sO) & + k(r295) * c(sNO) * c(sCO) & + k(r296) * c(sNO) * c(sH) & + k(r356) * c(sN2) * c(sO) ) NCO_ct1 = ( 0.0_pr & + k(r321) * c(sHCN) * c(sO) ) NH_ct1 = ( 0.0_pr & + k(r290) * c(sNO) * c(sH) & + k(r324) * c(sHCN) * c(sO) & + k(r360) * c(sN2) * c(sOH) & + k(r364) * c(sN2O) * c(sH) ) NH2_ct1 = ( 0.0_pr & + k(r325) * c(sHCN) * c(sOH) & + k(r358) * c(sN2) * c(sH2O) ) HNCO_ct1 = ( 0.0_pr & + k(r323) * c(sHCN) * c(sOH) ) HNO_ct1 = ( 0.0_pr & + k(r281) * c(sHO2) * c(sNO) & + k(r284) * c(sNO) * c(sOH) & + k(r285) * c(sH2) * c(sNO) & + k(r293) * c(sNO) * c(sH2O) & + k(r297) * c(sNO) * c(sH) * M(mM68) & + k(r353) * c(sNO) * c(sH) * c(sN2) ) CH2CHO_ct1 = ( 0.0_pr & + k(r169f) * c(sCH2CO) * c(sH) & + k(r174b) * c(sHO2) * c(sCH2CO) ) ! CH2DXCH2 --------------------------------------- CH2DXCH2_denom2 = tiny(1.0_pr) + ( CH2DXCH2_denom1 ) CH2DXCH2_ct2 = ( CH2DXCH2_ct1 & ) / CH2DXCH2_denom2 CH2DXCH2_AXC3H5 = ( 0.0_pr & + k(r136b) * c(sH) & ) / CH2DXCH2_denom2 CH2DXCH2_CH2 = ( 0.0_pr & + k(r48b) * c(sH2O) + k(r70b) * c(sCO) + k(r104b) * c(sCO2) + k(r362b) * c(sN2) & ) / CH2DXCH2_denom2 CH2DXCH2_HCCO = ( 0.0_pr & + k(r163f) * c(sH) & ) / CH2DXCH2_denom2 CH2DXCH2_CH3O = ( 0.0_pr & + k(r99f) * c(sH) & ) / CH2DXCH2_denom2 CH2DXCH2_CH = ( 0.0_pr & + k(r45b) * c(sH2) & ) / CH2DXCH2_denom2 CH2DXCH2_HCO = ( 0.0_pr & ) / CH2DXCH2_denom2 CH2DXCH2_C2H5 = ( 0.0_pr & ) / CH2DXCH2_denom2 CH2DXCH2_C2H3 = ( 0.0_pr & ) / CH2DXCH2_denom2 CH2DXCH2_N = ( 0.0_pr & ) / CH2DXCH2_denom2 CH2DXCH2_NCO = ( 0.0_pr & ) / CH2DXCH2_denom2 CH2DXCH2_NH = ( 0.0_pr & ) / CH2DXCH2_denom2 CH2DXCH2_NH2 = ( 0.0_pr & ) / CH2DXCH2_denom2 CH2DXCH2_HNCO = ( 0.0_pr & ) / CH2DXCH2_denom2 CH2DXCH2_HNO = ( 0.0_pr & ) / CH2DXCH2_denom2 CH2DXCH2_CH2CHO = ( 0.0_pr & ) / CH2DXCH2_denom2 CH2DXCH2_AXC3H5_coeff = ( 0.0_pr & + k(r136f) * c(sC2H4) & ) CH2DXCH2_CH2_coeff = ( 0.0_pr & + k(r48f) * c(sH2O)+ k(r70f) * c(sCO)+ k(r104f) * c(sCO2)+ k(r362f) * c(sN2) & ) CH2DXCH2_HCCO_coeff = ( 0.0_pr & + k(r163b) * c(sCO) & ) CH2DXCH2_CH3O_coeff = ( 0.0_pr & + k(r99b) * c(sH2O) & ) CH2DXCH2_CH_coeff = ( 0.0_pr & + k(r45f) * c(sH) & ) CH2DXCH2_HCO_coeff = ( 0.0_pr & + k(r42) * c(sO) & ) CH2DXCH2_C2H5_coeff = ( 0.0_pr & + k(r157) * c(sC2H6) & ) CH2DXCH2_C2H3_coeff = ( 0.0_pr & ) CH2DXCH2_N_coeff = ( 0.0_pr & ) CH2DXCH2_NCO_coeff = ( 0.0_pr & ) CH2DXCH2_NH_coeff = ( 0.0_pr & ) CH2DXCH2_NH2_coeff = ( 0.0_pr & ) CH2DXCH2_HNCO_coeff = ( 0.0_pr & ) CH2DXCH2_HNO_coeff = ( 0.0_pr & ) CH2DXCH2_CH2CHO_coeff = ( 0.0_pr & ) ! AXC3H5 --------------------------------------- AXC3H5_denom2 = tiny(1.0_pr) + ( AXC3H5_denom1 & - CH2DXCH2_AXC3H5_coeff * CH2DXCH2_AXC3H5 ) AXC3H5_ct2 = ( AXC3H5_ct1 & + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_ct2 & ) / AXC3H5_denom2 AXC3H5_CH2 = ( 0.0_pr & + k(r135f) * c(sC2H4) & + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_CH2& ) / AXC3H5_denom2 AXC3H5_HCCO = ( 0.0_pr & + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_HCCO& ) / AXC3H5_denom2 AXC3H5_CH3O = ( 0.0_pr & + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_CH3O& ) / AXC3H5_denom2 AXC3H5_CH = ( 0.0_pr & + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_CH& ) / AXC3H5_denom2 AXC3H5_HCO = ( 0.0_pr & + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_HCO& ) / AXC3H5_denom2 AXC3H5_C2H5 = ( 0.0_pr & + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_C2H5& ) / AXC3H5_denom2 AXC3H5_C2H3 = ( 0.0_pr & + k(r123f) * c(sCH3) & + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_C2H3& ) / AXC3H5_denom2 AXC3H5_N = ( 0.0_pr & + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_N& ) / AXC3H5_denom2 AXC3H5_NCO = ( 0.0_pr & + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_NCO& ) / AXC3H5_denom2 AXC3H5_NH = ( 0.0_pr & + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_NH& ) / AXC3H5_denom2 AXC3H5_NH2 = ( 0.0_pr & + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_NH2& ) / AXC3H5_denom2 AXC3H5_HNCO = ( 0.0_pr & + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_HNCO& ) / AXC3H5_denom2 AXC3H5_HNO = ( 0.0_pr & + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_HNO& ) / AXC3H5_denom2 AXC3H5_CH2CHO = ( 0.0_pr & + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_CH2CHO& ) / AXC3H5_denom2 AXC3H5_CH2_coeff = ( 0.0_pr & + k(r135b) * c(sH) & + CH2DXCH2_CH2_coeff * CH2DXCH2_AXC3H5 & ) AXC3H5_HCCO_coeff = ( 0.0_pr & + CH2DXCH2_HCCO_coeff * CH2DXCH2_AXC3H5 & ) AXC3H5_CH3O_coeff = ( 0.0_pr & + CH2DXCH2_CH3O_coeff * CH2DXCH2_AXC3H5 & ) AXC3H5_CH_coeff = ( 0.0_pr & + CH2DXCH2_CH_coeff * CH2DXCH2_AXC3H5 & ) AXC3H5_HCO_coeff = ( 0.0_pr & + CH2DXCH2_HCO_coeff * CH2DXCH2_AXC3H5 & ) AXC3H5_C2H5_coeff = ( 0.0_pr & + CH2DXCH2_C2H5_coeff * CH2DXCH2_AXC3H5 & ) AXC3H5_C2H3_coeff = ( 0.0_pr & + k(r123b) * c(sH) + k(r182) * c(sHO2) & + CH2DXCH2_C2H3_coeff * CH2DXCH2_AXC3H5 & ) AXC3H5_N_coeff = ( 0.0_pr & + CH2DXCH2_N_coeff * CH2DXCH2_AXC3H5 & ) AXC3H5_NCO_coeff = ( 0.0_pr & + CH2DXCH2_NCO_coeff * CH2DXCH2_AXC3H5 & ) AXC3H5_NH_coeff = ( 0.0_pr & + CH2DXCH2_NH_coeff * CH2DXCH2_AXC3H5 & ) AXC3H5_NH2_coeff = ( 0.0_pr & + CH2DXCH2_NH2_coeff * CH2DXCH2_AXC3H5 & ) AXC3H5_HNCO_coeff = ( 0.0_pr & + CH2DXCH2_HNCO_coeff * CH2DXCH2_AXC3H5 & ) AXC3H5_HNO_coeff = ( 0.0_pr & + CH2DXCH2_HNO_coeff * CH2DXCH2_AXC3H5 & ) AXC3H5_CH2CHO_coeff = ( 0.0_pr & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_AXC3H5 & ) ! CH2 --------------------------------------- CH2_denom2 = tiny(1.0_pr) + ( CH2_denom1 & - CH2DXCH2_CH2_coeff * CH2DXCH2_CH2 & - AXC3H5_CH2_coeff * AXC3H5_CH2 ) CH2_ct2 = ( CH2_ct1 & + CH2DXCH2_CH2_coeff * CH2DXCH2_ct2 & + AXC3H5_CH2_coeff * AXC3H5_ct2 & ) / CH2_denom2 CH2_HCCO = ( 0.0_pr & + CH2DXCH2_CH2_coeff * CH2DXCH2_HCCO& + AXC3H5_CH2_coeff * AXC3H5_HCCO& ) / CH2_denom2 CH2_CH3O = ( 0.0_pr & + CH2DXCH2_CH2_coeff * CH2DXCH2_CH3O& + AXC3H5_CH2_coeff * AXC3H5_CH3O& ) / CH2_denom2 CH2_CH = ( 0.0_pr & + k(r27f) * c(sH2)+ k(r39b) * c(sH2O) & + CH2DXCH2_CH2_coeff * CH2DXCH2_CH& + AXC3H5_CH2_coeff * AXC3H5_CH& ) / CH2_denom2 CH2_HCO = ( 0.0_pr & + CH2DXCH2_CH2_coeff * CH2DXCH2_HCO& + AXC3H5_CH2_coeff * AXC3H5_HCO& ) / CH2_denom2 CH2_C2H5 = ( 0.0_pr & + CH2DXCH2_CH2_coeff * CH2DXCH2_C2H5& + AXC3H5_CH2_coeff * AXC3H5_C2H5& ) / CH2_denom2 CH2_C2H3 = ( 0.0_pr & + CH2DXCH2_CH2_coeff * CH2DXCH2_C2H3& + AXC3H5_CH2_coeff * AXC3H5_C2H3& ) / CH2_denom2 CH2_N = ( 0.0_pr & + CH2DXCH2_CH2_coeff * CH2DXCH2_N& + AXC3H5_CH2_coeff * AXC3H5_N& ) / CH2_denom2 CH2_NCO = ( 0.0_pr & + CH2DXCH2_CH2_coeff * CH2DXCH2_NCO& + AXC3H5_CH2_coeff * AXC3H5_NCO& ) / CH2_denom2 CH2_NH = ( 0.0_pr & + CH2DXCH2_CH2_coeff * CH2DXCH2_NH& + AXC3H5_CH2_coeff * AXC3H5_NH& ) / CH2_denom2 CH2_NH2 = ( 0.0_pr & + CH2DXCH2_CH2_coeff * CH2DXCH2_NH2& + AXC3H5_CH2_coeff * AXC3H5_NH2& ) / CH2_denom2 CH2_HNCO = ( 0.0_pr & + CH2DXCH2_CH2_coeff * CH2DXCH2_HNCO& + AXC3H5_CH2_coeff * AXC3H5_HNCO& ) / CH2_denom2 CH2_HNO = ( 0.0_pr & + CH2DXCH2_CH2_coeff * CH2DXCH2_HNO& + AXC3H5_CH2_coeff * AXC3H5_HNO& ) / CH2_denom2 CH2_CH2CHO = ( 0.0_pr & + CH2DXCH2_CH2_coeff * CH2DXCH2_CH2CHO& + AXC3H5_CH2_coeff * AXC3H5_CH2CHO& ) / CH2_denom2 CH2_HCCO_coeff = ( 0.0_pr & + CH2DXCH2_HCCO_coeff * CH2DXCH2_CH2 & + AXC3H5_HCCO_coeff * AXC3H5_CH2 & ) CH2_CH3O_coeff = ( 0.0_pr & + CH2DXCH2_CH3O_coeff * CH2DXCH2_CH2 & + AXC3H5_CH3O_coeff * AXC3H5_CH2 & ) CH2_CH_coeff = ( 0.0_pr & + k(r27b) * c(sH) + k(r39f) * c(sOH) & + CH2DXCH2_CH_coeff * CH2DXCH2_CH2 & + AXC3H5_CH_coeff * AXC3H5_CH2 & ) CH2_HCO_coeff = ( 0.0_pr & + k(r34) * c(sO)+ k(r37) * c(sO2) & + CH2DXCH2_HCO_coeff * CH2DXCH2_CH2 & + AXC3H5_HCO_coeff * AXC3H5_CH2 & ) CH2_C2H5_coeff = ( 0.0_pr & + CH2DXCH2_C2H5_coeff * CH2DXCH2_CH2 & + AXC3H5_C2H5_coeff * AXC3H5_CH2 & ) CH2_C2H3_coeff = ( 0.0_pr & + CH2DXCH2_C2H3_coeff * CH2DXCH2_CH2 & + AXC3H5_C2H3_coeff * AXC3H5_CH2 & ) CH2_N_coeff = ( 0.0_pr & + CH2DXCH2_N_coeff * CH2DXCH2_CH2 & + AXC3H5_N_coeff * AXC3H5_CH2 & ) CH2_NCO_coeff = ( 0.0_pr & + CH2DXCH2_NCO_coeff * CH2DXCH2_CH2 & + AXC3H5_NCO_coeff * AXC3H5_CH2 & ) CH2_NH_coeff = ( 0.0_pr & + CH2DXCH2_NH_coeff * CH2DXCH2_CH2 & + AXC3H5_NH_coeff * AXC3H5_CH2 & ) CH2_NH2_coeff = ( 0.0_pr & + CH2DXCH2_NH2_coeff * CH2DXCH2_CH2 & + AXC3H5_NH2_coeff * AXC3H5_CH2 & ) CH2_HNCO_coeff = ( 0.0_pr & + CH2DXCH2_HNCO_coeff * CH2DXCH2_CH2 & + AXC3H5_HNCO_coeff * AXC3H5_CH2 & ) CH2_HNO_coeff = ( 0.0_pr & + CH2DXCH2_HNO_coeff * CH2DXCH2_CH2 & + AXC3H5_HNO_coeff * AXC3H5_CH2 & ) CH2_CH2CHO_coeff = ( 0.0_pr & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_CH2 & + AXC3H5_CH2CHO_coeff * AXC3H5_CH2 & ) ! HCCO --------------------------------------- HCCO_denom2 = tiny(1.0_pr) + ( HCCO_denom1 & - CH2DXCH2_HCCO_coeff * CH2DXCH2_HCCO & - AXC3H5_HCCO_coeff * AXC3H5_HCCO & - CH2_HCCO_coeff * CH2_HCCO ) HCCO_ct2 = ( HCCO_ct1 & + CH2DXCH2_HCCO_coeff * CH2DXCH2_ct2 & + AXC3H5_HCCO_coeff * AXC3H5_ct2 & + CH2_HCCO_coeff * CH2_ct2 & ) / HCCO_denom2 HCCO_CH3O = ( 0.0_pr & + CH2DXCH2_HCCO_coeff * CH2DXCH2_CH3O& + AXC3H5_HCCO_coeff * AXC3H5_CH3O& + CH2_HCCO_coeff * CH2_CH3O& ) / HCCO_denom2 HCCO_CH = ( 0.0_pr & + k(r71f) * c(sCO) & + CH2DXCH2_HCCO_coeff * CH2DXCH2_CH& + AXC3H5_HCCO_coeff * AXC3H5_CH& + CH2_HCCO_coeff * CH2_CH& ) / HCCO_denom2 HCCO_HCO = ( 0.0_pr & + CH2DXCH2_HCCO_coeff * CH2DXCH2_HCO& + AXC3H5_HCCO_coeff * AXC3H5_HCO& + CH2_HCCO_coeff * CH2_HCO& ) / HCCO_denom2 HCCO_C2H5 = ( 0.0_pr & + CH2DXCH2_HCCO_coeff * CH2DXCH2_C2H5& + AXC3H5_HCCO_coeff * AXC3H5_C2H5& + CH2_HCCO_coeff * CH2_C2H5& ) / HCCO_denom2 HCCO_C2H3 = ( 0.0_pr & + CH2DXCH2_HCCO_coeff * CH2DXCH2_C2H3& + AXC3H5_HCCO_coeff * AXC3H5_C2H3& + CH2_HCCO_coeff * CH2_C2H3& ) / HCCO_denom2 HCCO_N = ( 0.0_pr & + CH2DXCH2_HCCO_coeff * CH2DXCH2_N& + AXC3H5_HCCO_coeff * AXC3H5_N& + CH2_HCCO_coeff * CH2_N& ) / HCCO_denom2 HCCO_NCO = ( 0.0_pr & + k(r326) * c(sC2H2) & + CH2DXCH2_HCCO_coeff * CH2DXCH2_NCO& + AXC3H5_HCCO_coeff * AXC3H5_NCO& + CH2_HCCO_coeff * CH2_NCO& ) / HCCO_denom2 HCCO_NH = ( 0.0_pr & + CH2DXCH2_HCCO_coeff * CH2DXCH2_NH& + AXC3H5_HCCO_coeff * AXC3H5_NH& + CH2_HCCO_coeff * CH2_NH& ) / HCCO_denom2 HCCO_NH2 = ( 0.0_pr & + CH2DXCH2_HCCO_coeff * CH2DXCH2_NH2& + AXC3H5_HCCO_coeff * AXC3H5_NH2& + CH2_HCCO_coeff * CH2_NH2& ) / HCCO_denom2 HCCO_HNCO = ( 0.0_pr & + CH2DXCH2_HCCO_coeff * CH2DXCH2_HNCO& + AXC3H5_HCCO_coeff * AXC3H5_HNCO& + CH2_HCCO_coeff * CH2_HNCO& ) / HCCO_denom2 HCCO_HNO = ( 0.0_pr & + CH2DXCH2_HCCO_coeff * CH2DXCH2_HNO& + AXC3H5_HCCO_coeff * AXC3H5_HNO& + CH2_HCCO_coeff * CH2_HNO& ) / HCCO_denom2 HCCO_CH2CHO = ( 0.0_pr & + CH2DXCH2_HCCO_coeff * CH2DXCH2_CH2CHO& + AXC3H5_HCCO_coeff * AXC3H5_CH2CHO& + CH2_HCCO_coeff * CH2_CH2CHO& ) / HCCO_denom2 HCCO_CH3O_coeff = ( 0.0_pr & + CH2DXCH2_CH3O_coeff * CH2DXCH2_HCCO & + AXC3H5_CH3O_coeff * AXC3H5_HCCO & + CH2_CH3O_coeff * CH2_HCCO & ) HCCO_CH_coeff = ( 0.0_pr & + k(r71b) & + CH2DXCH2_CH_coeff * CH2DXCH2_HCCO & + AXC3H5_CH_coeff * AXC3H5_HCCO & + CH2_CH_coeff * CH2_HCCO & ) HCCO_HCO_coeff = ( 0.0_pr & + CH2DXCH2_HCO_coeff * CH2DXCH2_HCCO & + AXC3H5_HCO_coeff * AXC3H5_HCCO & + CH2_HCO_coeff * CH2_HCCO & ) HCCO_C2H5_coeff = ( 0.0_pr & + CH2DXCH2_C2H5_coeff * CH2DXCH2_HCCO & + AXC3H5_C2H5_coeff * AXC3H5_HCCO & + CH2_C2H5_coeff * CH2_HCCO & ) HCCO_C2H3_coeff = ( 0.0_pr & + CH2DXCH2_C2H3_coeff * CH2DXCH2_HCCO & + AXC3H5_C2H3_coeff * AXC3H5_HCCO & + CH2_C2H3_coeff * CH2_HCCO & ) HCCO_N_coeff = ( 0.0_pr & + CH2DXCH2_N_coeff * CH2DXCH2_HCCO & + AXC3H5_N_coeff * AXC3H5_HCCO & + CH2_N_coeff * CH2_HCCO & ) HCCO_NCO_coeff = ( 0.0_pr & + CH2DXCH2_NCO_coeff * CH2DXCH2_HCCO & + AXC3H5_NCO_coeff * AXC3H5_HCCO & + CH2_NCO_coeff * CH2_HCCO & ) HCCO_NH_coeff = ( 0.0_pr & + CH2DXCH2_NH_coeff * CH2DXCH2_HCCO & + AXC3H5_NH_coeff * AXC3H5_HCCO & + CH2_NH_coeff * CH2_HCCO & ) HCCO_NH2_coeff = ( 0.0_pr & + CH2DXCH2_NH2_coeff * CH2DXCH2_HCCO & + AXC3H5_NH2_coeff * AXC3H5_HCCO & + CH2_NH2_coeff * CH2_HCCO & ) HCCO_HNCO_coeff = ( 0.0_pr & + CH2DXCH2_HNCO_coeff * CH2DXCH2_HCCO & + AXC3H5_HNCO_coeff * AXC3H5_HCCO & + CH2_HNCO_coeff * CH2_HCCO & ) HCCO_HNO_coeff = ( 0.0_pr & + CH2DXCH2_HNO_coeff * CH2DXCH2_HCCO & + AXC3H5_HNO_coeff * AXC3H5_HCCO & + CH2_HNO_coeff * CH2_HCCO & ) HCCO_CH2CHO_coeff = ( 0.0_pr & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_HCCO & + AXC3H5_CH2CHO_coeff * AXC3H5_HCCO & + CH2_CH2CHO_coeff * CH2_HCCO & ) ! CH3O --------------------------------------- CH3O_denom2 = tiny(1.0_pr) + ( CH3O_denom1 & - CH2DXCH2_CH3O_coeff * CH2DXCH2_CH3O & - AXC3H5_CH3O_coeff * AXC3H5_CH3O & - CH2_CH3O_coeff * CH2_CH3O & - HCCO_CH3O_coeff * HCCO_CH3O ) CH3O_ct2 = ( CH3O_ct1 & + CH2DXCH2_CH3O_coeff * CH2DXCH2_ct2 & + AXC3H5_CH3O_coeff * AXC3H5_ct2 & + CH2_CH3O_coeff * CH2_ct2 & + HCCO_CH3O_coeff * HCCO_ct2 & ) / CH3O_denom2 CH3O_CH = ( 0.0_pr & + CH2DXCH2_CH3O_coeff * CH2DXCH2_CH& + AXC3H5_CH3O_coeff * AXC3H5_CH& + CH2_CH3O_coeff * CH2_CH& + HCCO_CH3O_coeff * HCCO_CH& ) / CH3O_denom2 CH3O_HCO = ( 0.0_pr & + CH2DXCH2_CH3O_coeff * CH2DXCH2_HCO& + AXC3H5_CH3O_coeff * AXC3H5_HCO& + CH2_CH3O_coeff * CH2_HCO& + HCCO_CH3O_coeff * HCCO_HCO& ) / CH3O_denom2 CH3O_C2H5 = ( 0.0_pr & + CH2DXCH2_CH3O_coeff * CH2DXCH2_C2H5& + AXC3H5_CH3O_coeff * AXC3H5_C2H5& + CH2_CH3O_coeff * CH2_C2H5& + HCCO_CH3O_coeff * HCCO_C2H5& ) / CH3O_denom2 CH3O_C2H3 = ( 0.0_pr & + CH2DXCH2_CH3O_coeff * CH2DXCH2_C2H3& + AXC3H5_CH3O_coeff * AXC3H5_C2H3& + CH2_CH3O_coeff * CH2_C2H3& + HCCO_CH3O_coeff * HCCO_C2H3& ) / CH3O_denom2 CH3O_N = ( 0.0_pr & + CH2DXCH2_CH3O_coeff * CH2DXCH2_N& + AXC3H5_CH3O_coeff * AXC3H5_N& + CH2_CH3O_coeff * CH2_N& + HCCO_CH3O_coeff * HCCO_N& ) / CH3O_denom2 CH3O_NCO = ( 0.0_pr & + CH2DXCH2_CH3O_coeff * CH2DXCH2_NCO& + AXC3H5_CH3O_coeff * AXC3H5_NCO& + CH2_CH3O_coeff * CH2_NCO& + HCCO_CH3O_coeff * HCCO_NCO& ) / CH3O_denom2 CH3O_NH = ( 0.0_pr & + CH2DXCH2_CH3O_coeff * CH2DXCH2_NH& + AXC3H5_CH3O_coeff * AXC3H5_NH& + CH2_CH3O_coeff * CH2_NH& + HCCO_CH3O_coeff * HCCO_NH& ) / CH3O_denom2 CH3O_NH2 = ( 0.0_pr & + CH2DXCH2_CH3O_coeff * CH2DXCH2_NH2& + AXC3H5_CH3O_coeff * AXC3H5_NH2& + CH2_CH3O_coeff * CH2_NH2& + HCCO_CH3O_coeff * HCCO_NH2& ) / CH3O_denom2 CH3O_HNCO = ( 0.0_pr & + CH2DXCH2_CH3O_coeff * CH2DXCH2_HNCO& + AXC3H5_CH3O_coeff * AXC3H5_HNCO& + CH2_CH3O_coeff * CH2_HNCO& + HCCO_CH3O_coeff * HCCO_HNCO& ) / CH3O_denom2 CH3O_HNO = ( 0.0_pr & + CH2DXCH2_CH3O_coeff * CH2DXCH2_HNO& + AXC3H5_CH3O_coeff * AXC3H5_HNO& + CH2_CH3O_coeff * CH2_HNO& + HCCO_CH3O_coeff * HCCO_HNO& ) / CH3O_denom2 CH3O_CH2CHO = ( 0.0_pr & + CH2DXCH2_CH3O_coeff * CH2DXCH2_CH2CHO& + AXC3H5_CH3O_coeff * AXC3H5_CH2CHO& + CH2_CH3O_coeff * CH2_CH2CHO& + HCCO_CH3O_coeff * HCCO_CH2CHO& ) / CH3O_denom2 CH3O_CH_coeff = ( 0.0_pr & + CH2DXCH2_CH_coeff * CH2DXCH2_CH3O & + AXC3H5_CH_coeff * AXC3H5_CH3O & + CH2_CH_coeff * CH2_CH3O & + HCCO_CH_coeff * HCCO_CH3O & ) CH3O_HCO_coeff = ( 0.0_pr & + CH2DXCH2_HCO_coeff * CH2DXCH2_CH3O & + AXC3H5_HCO_coeff * AXC3H5_CH3O & + CH2_HCO_coeff * CH2_CH3O & + HCCO_HCO_coeff * HCCO_CH3O & ) CH3O_C2H5_coeff = ( 0.0_pr & + CH2DXCH2_C2H5_coeff * CH2DXCH2_CH3O & + AXC3H5_C2H5_coeff * AXC3H5_CH3O & + CH2_C2H5_coeff * CH2_CH3O & + HCCO_C2H5_coeff * HCCO_CH3O & ) CH3O_C2H3_coeff = ( 0.0_pr & + CH2DXCH2_C2H3_coeff * CH2DXCH2_CH3O & + AXC3H5_C2H3_coeff * AXC3H5_CH3O & + CH2_C2H3_coeff * CH2_CH3O & + HCCO_C2H3_coeff * HCCO_CH3O & ) CH3O_N_coeff = ( 0.0_pr & + CH2DXCH2_N_coeff * CH2DXCH2_CH3O & + AXC3H5_N_coeff * AXC3H5_CH3O & + CH2_N_coeff * CH2_CH3O & + HCCO_N_coeff * HCCO_CH3O & ) CH3O_NCO_coeff = ( 0.0_pr & + CH2DXCH2_NCO_coeff * CH2DXCH2_CH3O & + AXC3H5_NCO_coeff * AXC3H5_CH3O & + CH2_NCO_coeff * CH2_CH3O & + HCCO_NCO_coeff * HCCO_CH3O & ) CH3O_NH_coeff = ( 0.0_pr & + CH2DXCH2_NH_coeff * CH2DXCH2_CH3O & + AXC3H5_NH_coeff * AXC3H5_CH3O & + CH2_NH_coeff * CH2_CH3O & + HCCO_NH_coeff * HCCO_CH3O & ) CH3O_NH2_coeff = ( 0.0_pr & + CH2DXCH2_NH2_coeff * CH2DXCH2_CH3O & + AXC3H5_NH2_coeff * AXC3H5_CH3O & + CH2_NH2_coeff * CH2_CH3O & + HCCO_NH2_coeff * HCCO_CH3O & ) CH3O_HNCO_coeff = ( 0.0_pr & + CH2DXCH2_HNCO_coeff * CH2DXCH2_CH3O & + AXC3H5_HNCO_coeff * AXC3H5_CH3O & + CH2_HNCO_coeff * CH2_CH3O & + HCCO_HNCO_coeff * HCCO_CH3O & ) CH3O_HNO_coeff = ( 0.0_pr & + CH2DXCH2_HNO_coeff * CH2DXCH2_CH3O & + AXC3H5_HNO_coeff * AXC3H5_CH3O & + CH2_HNO_coeff * CH2_CH3O & + HCCO_HNO_coeff * HCCO_CH3O & ) CH3O_CH2CHO_coeff = ( 0.0_pr & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_CH3O & + AXC3H5_CH2CHO_coeff * AXC3H5_CH3O & + CH2_CH2CHO_coeff * CH2_CH3O & + HCCO_CH2CHO_coeff * HCCO_CH3O & ) ! CH --------------------------------------- CH_denom2 = tiny(1.0_pr) + ( CH_denom1 & - CH2DXCH2_CH_coeff * CH2DXCH2_CH & - AXC3H5_CH_coeff * AXC3H5_CH & - CH2_CH_coeff * CH2_CH & - HCCO_CH_coeff * HCCO_CH & - CH3O_CH_coeff * CH3O_CH ) CH_ct2 = ( CH_ct1 & + CH2DXCH2_CH_coeff * CH2DXCH2_ct2 & + AXC3H5_CH_coeff * AXC3H5_ct2 & + CH2_CH_coeff * CH2_ct2 & + HCCO_CH_coeff * HCCO_ct2 & + CH3O_CH_coeff * CH3O_ct2 & ) / CH_denom2 CH_HCO = ( 0.0_pr & + CH2DXCH2_CH_coeff * CH2DXCH2_HCO& + AXC3H5_CH_coeff * AXC3H5_HCO& + CH2_CH_coeff * CH2_HCO& + HCCO_CH_coeff * HCCO_HCO& + CH3O_CH_coeff * CH3O_HCO& ) / CH_denom2 CH_C2H5 = ( 0.0_pr & + CH2DXCH2_CH_coeff * CH2DXCH2_C2H5& + AXC3H5_CH_coeff * AXC3H5_C2H5& + CH2_CH_coeff * CH2_C2H5& + HCCO_CH_coeff * HCCO_C2H5& + CH3O_CH_coeff * CH3O_C2H5& ) / CH_denom2 CH_C2H3 = ( 0.0_pr & + CH2DXCH2_CH_coeff * CH2DXCH2_C2H3& + AXC3H5_CH_coeff * AXC3H5_C2H3& + CH2_CH_coeff * CH2_C2H3& + HCCO_CH_coeff * HCCO_C2H3& + CH3O_CH_coeff * CH3O_C2H3& ) / CH_denom2 CH_N = ( 0.0_pr & + k(r322) * c(sHCN) & + CH2DXCH2_CH_coeff * CH2DXCH2_N& + AXC3H5_CH_coeff * AXC3H5_N& + CH2_CH_coeff * CH2_N& + HCCO_CH_coeff * HCCO_N& + CH3O_CH_coeff * CH3O_N& ) / CH_denom2 CH_NCO = ( 0.0_pr & + CH2DXCH2_CH_coeff * CH2DXCH2_NCO& + AXC3H5_CH_coeff * AXC3H5_NCO& + CH2_CH_coeff * CH2_NCO& + HCCO_CH_coeff * HCCO_NCO& + CH3O_CH_coeff * CH3O_NCO& ) / CH_denom2 CH_NH = ( 0.0_pr & + CH2DXCH2_CH_coeff * CH2DXCH2_NH& + AXC3H5_CH_coeff * AXC3H5_NH& + CH2_CH_coeff * CH2_NH& + HCCO_CH_coeff * HCCO_NH& + CH3O_CH_coeff * CH3O_NH& ) / CH_denom2 CH_NH2 = ( 0.0_pr & + CH2DXCH2_CH_coeff * CH2DXCH2_NH2& + AXC3H5_CH_coeff * AXC3H5_NH2& + CH2_CH_coeff * CH2_NH2& + HCCO_CH_coeff * HCCO_NH2& + CH3O_CH_coeff * CH3O_NH2& ) / CH_denom2 CH_HNCO = ( 0.0_pr & + CH2DXCH2_CH_coeff * CH2DXCH2_HNCO& + AXC3H5_CH_coeff * AXC3H5_HNCO& + CH2_CH_coeff * CH2_HNCO& + HCCO_CH_coeff * HCCO_HNCO& + CH3O_CH_coeff * CH3O_HNCO& ) / CH_denom2 CH_HNO = ( 0.0_pr & + CH2DXCH2_CH_coeff * CH2DXCH2_HNO& + AXC3H5_CH_coeff * AXC3H5_HNO& + CH2_CH_coeff * CH2_HNO& + HCCO_CH_coeff * HCCO_HNO& + CH3O_CH_coeff * CH3O_HNO& ) / CH_denom2 CH_CH2CHO = ( 0.0_pr & + CH2DXCH2_CH_coeff * CH2DXCH2_CH2CHO& + AXC3H5_CH_coeff * AXC3H5_CH2CHO& + CH2_CH_coeff * CH2_CH2CHO& + HCCO_CH_coeff * HCCO_CH2CHO& + CH3O_CH_coeff * CH3O_CH2CHO& ) / CH_denom2 CH_HCO_coeff = ( 0.0_pr & + k(r29) * c(sOH)+ k(r30) * c(sO2)+ k(r102) * c(sCO2)+ k(r282) * c(sNO) & + CH2DXCH2_HCO_coeff * CH2DXCH2_CH & + AXC3H5_HCO_coeff * AXC3H5_CH & + CH2_HCO_coeff * CH2_CH & + HCCO_HCO_coeff * HCCO_CH & + CH3O_HCO_coeff * CH3O_CH & ) CH_C2H5_coeff = ( 0.0_pr & + CH2DXCH2_C2H5_coeff * CH2DXCH2_CH & + AXC3H5_C2H5_coeff * AXC3H5_CH & + CH2_C2H5_coeff * CH2_CH & + HCCO_C2H5_coeff * HCCO_CH & + CH3O_C2H5_coeff * CH3O_CH & ) CH_C2H3_coeff = ( 0.0_pr & + k(r58) * c(sCH3) & + CH2DXCH2_C2H3_coeff * CH2DXCH2_CH & + AXC3H5_C2H3_coeff * AXC3H5_CH & + CH2_C2H3_coeff * CH2_CH & + HCCO_C2H3_coeff * HCCO_CH & + CH3O_C2H3_coeff * CH3O_CH & ) CH_N_coeff = ( 0.0_pr & + k(r282) * c(sNO)+ k(r359) * c(sN2) & + CH2DXCH2_N_coeff * CH2DXCH2_CH & + AXC3H5_N_coeff * AXC3H5_CH & + CH2_N_coeff * CH2_CH & + HCCO_N_coeff * HCCO_CH & + CH3O_N_coeff * CH3O_CH & ) CH_NCO_coeff = ( 0.0_pr & + k(r288) * c(sNO) & + CH2DXCH2_NCO_coeff * CH2DXCH2_CH & + AXC3H5_NCO_coeff * AXC3H5_CH & + CH2_NCO_coeff * CH2_CH & + HCCO_NCO_coeff * HCCO_CH & + CH3O_NCO_coeff * CH3O_CH & ) CH_NH_coeff = ( 0.0_pr & + CH2DXCH2_NH_coeff * CH2DXCH2_CH & + AXC3H5_NH_coeff * AXC3H5_CH & + CH2_NH_coeff * CH2_CH & + HCCO_NH_coeff * HCCO_CH & + CH3O_NH_coeff * CH3O_CH & ) CH_NH2_coeff = ( 0.0_pr & + CH2DXCH2_NH2_coeff * CH2DXCH2_CH & + AXC3H5_NH2_coeff * AXC3H5_CH & + CH2_NH2_coeff * CH2_CH & + HCCO_NH2_coeff * HCCO_CH & + CH3O_NH2_coeff * CH3O_CH & ) CH_HNCO_coeff = ( 0.0_pr & + CH2DXCH2_HNCO_coeff * CH2DXCH2_CH & + AXC3H5_HNCO_coeff * AXC3H5_CH & + CH2_HNCO_coeff * CH2_CH & + HCCO_HNCO_coeff * HCCO_CH & + CH3O_HNCO_coeff * CH3O_CH & ) CH_HNO_coeff = ( 0.0_pr & + CH2DXCH2_HNO_coeff * CH2DXCH2_CH & + AXC3H5_HNO_coeff * AXC3H5_CH & + CH2_HNO_coeff * CH2_CH & + HCCO_HNO_coeff * HCCO_CH & + CH3O_HNO_coeff * CH3O_CH & ) CH_CH2CHO_coeff = ( 0.0_pr & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_CH & + AXC3H5_CH2CHO_coeff * AXC3H5_CH & + CH2_CH2CHO_coeff * CH2_CH & + HCCO_CH2CHO_coeff * HCCO_CH & + CH3O_CH2CHO_coeff * CH3O_CH & ) ! HCO --------------------------------------- HCO_denom2 = tiny(1.0_pr) + ( HCO_denom1 & - CH2DXCH2_HCO_coeff * CH2DXCH2_HCO & - AXC3H5_HCO_coeff * AXC3H5_HCO & - CH2_HCO_coeff * CH2_HCO & - HCCO_HCO_coeff * HCCO_HCO & - CH3O_HCO_coeff * CH3O_HCO & - CH_HCO_coeff * CH_HCO ) HCO_ct2 = ( HCO_ct1 & + CH2DXCH2_HCO_coeff * CH2DXCH2_ct2 & + AXC3H5_HCO_coeff * AXC3H5_ct2 & + CH2_HCO_coeff * CH2_ct2 & + HCCO_HCO_coeff * HCCO_ct2 & + CH3O_HCO_coeff * CH3O_ct2 & + CH_HCO_coeff * CH_ct2 & ) / HCO_denom2 HCO_C2H5 = ( 0.0_pr & + k(r139b) * c(sCO) & + CH2DXCH2_HCO_coeff * CH2DXCH2_C2H5& + AXC3H5_HCO_coeff * AXC3H5_C2H5& + CH2_HCO_coeff * CH2_C2H5& + HCCO_HCO_coeff * HCCO_C2H5& + CH3O_HCO_coeff * CH3O_C2H5& + CH_HCO_coeff * CH_C2H5& ) / HCO_denom2 HCO_C2H3 = ( 0.0_pr & + k(r116b) * c(sCO) + k(r119) * c(sO2) & + CH2DXCH2_HCO_coeff * CH2DXCH2_C2H3& + AXC3H5_HCO_coeff * AXC3H5_C2H3& + CH2_HCO_coeff * CH2_C2H3& + HCCO_HCO_coeff * HCCO_C2H3& + CH3O_HCO_coeff * CH3O_C2H3& + CH_HCO_coeff * CH_C2H3& ) / HCO_denom2 HCO_N = ( 0.0_pr & + CH2DXCH2_HCO_coeff * CH2DXCH2_N& + AXC3H5_HCO_coeff * AXC3H5_N& + CH2_HCO_coeff * CH2_N& + HCCO_HCO_coeff * HCCO_N& + CH3O_HCO_coeff * CH3O_N& + CH_HCO_coeff * CH_N& ) / HCO_denom2 HCO_NCO = ( 0.0_pr & + k(r327) * c(sOH)+ k(r335) * c(sCH2O) & + CH2DXCH2_HCO_coeff * CH2DXCH2_NCO& + AXC3H5_HCO_coeff * AXC3H5_NCO& + CH2_HCO_coeff * CH2_NCO& + HCCO_HCO_coeff * HCCO_NCO& + CH3O_HCO_coeff * CH3O_NCO& + CH_HCO_coeff * CH_NCO& ) / HCO_denom2 HCO_NH = ( 0.0_pr & + CH2DXCH2_HCO_coeff * CH2DXCH2_NH& + AXC3H5_HCO_coeff * AXC3H5_NH& + CH2_HCO_coeff * CH2_NH& + HCCO_HCO_coeff * HCCO_NH& + CH3O_HCO_coeff * CH3O_NH& + CH_HCO_coeff * CH_NH& ) / HCO_denom2 HCO_NH2 = ( 0.0_pr & + CH2DXCH2_HCO_coeff * CH2DXCH2_NH2& + AXC3H5_HCO_coeff * AXC3H5_NH2& + CH2_HCO_coeff * CH2_NH2& + HCCO_HCO_coeff * HCCO_NH2& + CH3O_HCO_coeff * CH3O_NH2& + CH_HCO_coeff * CH_NH2& ) / HCO_denom2 HCO_HNCO = ( 0.0_pr & + CH2DXCH2_HCO_coeff * CH2DXCH2_HNCO& + AXC3H5_HCO_coeff * AXC3H5_HNCO& + CH2_HCO_coeff * CH2_HNCO& + HCCO_HCO_coeff * HCCO_HNCO& + CH3O_HCO_coeff * CH3O_HNCO& + CH_HCO_coeff * CH_HNCO& ) / HCO_denom2 HCO_HNO = ( 0.0_pr & + k(r311) * c(sCO) & + CH2DXCH2_HCO_coeff * CH2DXCH2_HNO& + AXC3H5_HCO_coeff * AXC3H5_HNO& + CH2_HCO_coeff * CH2_HNO& + HCCO_HCO_coeff * HCCO_HNO& + CH3O_HCO_coeff * CH3O_HNO& + CH_HCO_coeff * CH_HNO& ) / HCO_denom2 HCO_CH2CHO = ( 0.0_pr & + k(r177f) * c(sH) & + CH2DXCH2_HCO_coeff * CH2DXCH2_CH2CHO& + AXC3H5_HCO_coeff * AXC3H5_CH2CHO& + CH2_HCO_coeff * CH2_CH2CHO& + HCCO_HCO_coeff * HCCO_CH2CHO& + CH3O_HCO_coeff * CH3O_CH2CHO& + CH_HCO_coeff * CH_CH2CHO& ) / HCO_denom2 HCO_C2H5_coeff = ( 0.0_pr & + k(r139f) * c(sC2H4) & + CH2DXCH2_C2H5_coeff * CH2DXCH2_HCO & + AXC3H5_C2H5_coeff * AXC3H5_HCO & + CH2_C2H5_coeff * CH2_HCO & + HCCO_C2H5_coeff * HCCO_HCO & + CH3O_C2H5_coeff * CH3O_HCO & + CH_C2H5_coeff * CH_HCO & ) HCO_C2H3_coeff = ( 0.0_pr & + k(r116f) * c(sC2H2) & + CH2DXCH2_C2H3_coeff * CH2DXCH2_HCO & + AXC3H5_C2H3_coeff * AXC3H5_HCO & + CH2_C2H3_coeff * CH2_HCO & + HCCO_C2H3_coeff * HCCO_HCO & + CH3O_C2H3_coeff * CH3O_HCO & + CH_C2H3_coeff * CH_HCO & ) HCO_N_coeff = ( 0.0_pr & + CH2DXCH2_N_coeff * CH2DXCH2_HCO & + AXC3H5_N_coeff * AXC3H5_HCO & + CH2_N_coeff * CH2_HCO & + HCCO_N_coeff * HCCO_HCO & + CH3O_N_coeff * CH3O_HCO & + CH_N_coeff * CH_HCO & ) HCO_NCO_coeff = ( 0.0_pr & + CH2DXCH2_NCO_coeff * CH2DXCH2_HCO & + AXC3H5_NCO_coeff * AXC3H5_HCO & + CH2_NCO_coeff * CH2_HCO & + HCCO_NCO_coeff * HCCO_HCO & + CH3O_NCO_coeff * CH3O_HCO & + CH_NCO_coeff * CH_HCO & ) HCO_NH_coeff = ( 0.0_pr & + CH2DXCH2_NH_coeff * CH2DXCH2_HCO & + AXC3H5_NH_coeff * AXC3H5_HCO & + CH2_NH_coeff * CH2_HCO & + HCCO_NH_coeff * HCCO_HCO & + CH3O_NH_coeff * CH3O_HCO & + CH_NH_coeff * CH_HCO & ) HCO_NH2_coeff = ( 0.0_pr & + CH2DXCH2_NH2_coeff * CH2DXCH2_HCO & + AXC3H5_NH2_coeff * AXC3H5_HCO & + CH2_NH2_coeff * CH2_HCO & + HCCO_NH2_coeff * HCCO_HCO & + CH3O_NH2_coeff * CH3O_HCO & + CH_NH2_coeff * CH_HCO & ) HCO_HNCO_coeff = ( 0.0_pr & + CH2DXCH2_HNCO_coeff * CH2DXCH2_HCO & + AXC3H5_HNCO_coeff * AXC3H5_HCO & + CH2_HNCO_coeff * CH2_HCO & + HCCO_HNCO_coeff * HCCO_HCO & + CH3O_HNCO_coeff * CH3O_HCO & + CH_HNCO_coeff * CH_HCO & ) HCO_HNO_coeff = ( 0.0_pr & + k(r301) * c(sNO) & + CH2DXCH2_HNO_coeff * CH2DXCH2_HCO & + AXC3H5_HNO_coeff * AXC3H5_HCO & + CH2_HNO_coeff * CH2_HCO & + HCCO_HNO_coeff * HCCO_HCO & + CH3O_HNO_coeff * CH3O_HCO & + CH_HNO_coeff * CH_HCO & ) HCO_CH2CHO_coeff = ( 0.0_pr & + k(r177b) * c(sCH3) & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_HCO & + AXC3H5_CH2CHO_coeff * AXC3H5_HCO & + CH2_CH2CHO_coeff * CH2_HCO & + HCCO_CH2CHO_coeff * HCCO_HCO & + CH3O_CH2CHO_coeff * CH3O_HCO & + CH_CH2CHO_coeff * CH_HCO & ) ! C2H5 --------------------------------------- C2H5_denom2 = tiny(1.0_pr) + ( C2H5_denom1 & - CH2DXCH2_C2H5_coeff * CH2DXCH2_C2H5 & - AXC3H5_C2H5_coeff * AXC3H5_C2H5 & - CH2_C2H5_coeff * CH2_C2H5 & - HCCO_C2H5_coeff * HCCO_C2H5 & - CH3O_C2H5_coeff * CH3O_C2H5 & - CH_C2H5_coeff * CH_C2H5 & - HCO_C2H5_coeff * HCO_C2H5 ) C2H5_ct2 = ( C2H5_ct1 & + CH2DXCH2_C2H5_coeff * CH2DXCH2_ct2 & + AXC3H5_C2H5_coeff * AXC3H5_ct2 & + CH2_C2H5_coeff * CH2_ct2 & + HCCO_C2H5_coeff * HCCO_ct2 & + CH3O_C2H5_coeff * CH3O_ct2 & + CH_C2H5_coeff * CH_ct2 & + HCO_C2H5_coeff * HCO_ct2 & ) / C2H5_denom2 C2H5_C2H3 = ( 0.0_pr & + CH2DXCH2_C2H5_coeff * CH2DXCH2_C2H3& + AXC3H5_C2H5_coeff * AXC3H5_C2H3& + CH2_C2H5_coeff * CH2_C2H3& + HCCO_C2H5_coeff * HCCO_C2H3& + CH3O_C2H5_coeff * CH3O_C2H3& + CH_C2H5_coeff * CH_C2H3& + HCO_C2H5_coeff * HCO_C2H3& ) / C2H5_denom2 C2H5_N = ( 0.0_pr & + CH2DXCH2_C2H5_coeff * CH2DXCH2_N& + AXC3H5_C2H5_coeff * AXC3H5_N& + CH2_C2H5_coeff * CH2_N& + HCCO_C2H5_coeff * HCCO_N& + CH3O_C2H5_coeff * CH3O_N& + CH_C2H5_coeff * CH_N& + HCO_C2H5_coeff * HCO_N& ) / C2H5_denom2 C2H5_NCO = ( 0.0_pr & + k(r337) * c(sC2H6) & + CH2DXCH2_C2H5_coeff * CH2DXCH2_NCO& + AXC3H5_C2H5_coeff * AXC3H5_NCO& + CH2_C2H5_coeff * CH2_NCO& + HCCO_C2H5_coeff * HCCO_NCO& + CH3O_C2H5_coeff * CH3O_NCO& + CH_C2H5_coeff * CH_NCO& + HCO_C2H5_coeff * HCO_NCO& ) / C2H5_denom2 C2H5_NH = ( 0.0_pr & + CH2DXCH2_C2H5_coeff * CH2DXCH2_NH& + AXC3H5_C2H5_coeff * AXC3H5_NH& + CH2_C2H5_coeff * CH2_NH& + HCCO_C2H5_coeff * HCCO_NH& + CH3O_C2H5_coeff * CH3O_NH& + CH_C2H5_coeff * CH_NH& + HCO_C2H5_coeff * HCO_NH& ) / C2H5_denom2 C2H5_NH2 = ( 0.0_pr & + CH2DXCH2_C2H5_coeff * CH2DXCH2_NH2& + AXC3H5_C2H5_coeff * AXC3H5_NH2& + CH2_C2H5_coeff * CH2_NH2& + HCCO_C2H5_coeff * HCCO_NH2& + CH3O_C2H5_coeff * CH3O_NH2& + CH_C2H5_coeff * CH_NH2& + HCO_C2H5_coeff * HCO_NH2& ) / C2H5_denom2 C2H5_HNCO = ( 0.0_pr & + CH2DXCH2_C2H5_coeff * CH2DXCH2_HNCO& + AXC3H5_C2H5_coeff * AXC3H5_HNCO& + CH2_C2H5_coeff * CH2_HNCO& + HCCO_C2H5_coeff * HCCO_HNCO& + CH3O_C2H5_coeff * CH3O_HNCO& + CH_C2H5_coeff * CH_HNCO& + HCO_C2H5_coeff * HCO_HNCO& ) / C2H5_denom2 C2H5_HNO = ( 0.0_pr & + CH2DXCH2_C2H5_coeff * CH2DXCH2_HNO& + AXC3H5_C2H5_coeff * AXC3H5_HNO& + CH2_C2H5_coeff * CH2_HNO& + HCCO_C2H5_coeff * HCCO_HNO& + CH3O_C2H5_coeff * CH3O_HNO& + CH_C2H5_coeff * CH_HNO& + HCO_C2H5_coeff * HCO_HNO& ) / C2H5_denom2 C2H5_CH2CHO = ( 0.0_pr & + CH2DXCH2_C2H5_coeff * CH2DXCH2_CH2CHO& + AXC3H5_C2H5_coeff * AXC3H5_CH2CHO& + CH2_C2H5_coeff * CH2_CH2CHO& + HCCO_C2H5_coeff * HCCO_CH2CHO& + CH3O_C2H5_coeff * CH3O_CH2CHO& + CH_C2H5_coeff * CH_CH2CHO& + HCO_C2H5_coeff * HCO_CH2CHO& ) / C2H5_denom2 C2H5_C2H3_coeff = ( 0.0_pr & + CH2DXCH2_C2H3_coeff * CH2DXCH2_C2H5 & + AXC3H5_C2H3_coeff * AXC3H5_C2H5 & + CH2_C2H3_coeff * CH2_C2H5 & + HCCO_C2H3_coeff * HCCO_C2H5 & + CH3O_C2H3_coeff * CH3O_C2H5 & + CH_C2H3_coeff * CH_C2H5 & + HCO_C2H3_coeff * HCO_C2H5 & ) C2H5_N_coeff = ( 0.0_pr & + CH2DXCH2_N_coeff * CH2DXCH2_C2H5 & + AXC3H5_N_coeff * AXC3H5_C2H5 & + CH2_N_coeff * CH2_C2H5 & + HCCO_N_coeff * HCCO_C2H5 & + CH3O_N_coeff * CH3O_C2H5 & + CH_N_coeff * CH_C2H5 & + HCO_N_coeff * HCO_C2H5 & ) C2H5_NCO_coeff = ( 0.0_pr & + CH2DXCH2_NCO_coeff * CH2DXCH2_C2H5 & + AXC3H5_NCO_coeff * AXC3H5_C2H5 & + CH2_NCO_coeff * CH2_C2H5 & + HCCO_NCO_coeff * HCCO_C2H5 & + CH3O_NCO_coeff * CH3O_C2H5 & + CH_NCO_coeff * CH_C2H5 & + HCO_NCO_coeff * HCO_C2H5 & ) C2H5_NH_coeff = ( 0.0_pr & + CH2DXCH2_NH_coeff * CH2DXCH2_C2H5 & + AXC3H5_NH_coeff * AXC3H5_C2H5 & + CH2_NH_coeff * CH2_C2H5 & + HCCO_NH_coeff * HCCO_C2H5 & + CH3O_NH_coeff * CH3O_C2H5 & + CH_NH_coeff * CH_C2H5 & + HCO_NH_coeff * HCO_C2H5 & ) C2H5_NH2_coeff = ( 0.0_pr & + CH2DXCH2_NH2_coeff * CH2DXCH2_C2H5 & + AXC3H5_NH2_coeff * AXC3H5_C2H5 & + CH2_NH2_coeff * CH2_C2H5 & + HCCO_NH2_coeff * HCCO_C2H5 & + CH3O_NH2_coeff * CH3O_C2H5 & + CH_NH2_coeff * CH_C2H5 & + HCO_NH2_coeff * HCO_C2H5 & ) C2H5_HNCO_coeff = ( 0.0_pr & + CH2DXCH2_HNCO_coeff * CH2DXCH2_C2H5 & + AXC3H5_HNCO_coeff * AXC3H5_C2H5 & + CH2_HNCO_coeff * CH2_C2H5 & + HCCO_HNCO_coeff * HCCO_C2H5 & + CH3O_HNCO_coeff * CH3O_C2H5 & + CH_HNCO_coeff * CH_C2H5 & + HCO_HNCO_coeff * HCO_C2H5 & ) C2H5_HNO_coeff = ( 0.0_pr & + CH2DXCH2_HNO_coeff * CH2DXCH2_C2H5 & + AXC3H5_HNO_coeff * AXC3H5_C2H5 & + CH2_HNO_coeff * CH2_C2H5 & + HCCO_HNO_coeff * HCCO_C2H5 & + CH3O_HNO_coeff * CH3O_C2H5 & + CH_HNO_coeff * CH_C2H5 & + HCO_HNO_coeff * HCO_C2H5 & ) C2H5_CH2CHO_coeff = ( 0.0_pr & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_C2H5 & + AXC3H5_CH2CHO_coeff * AXC3H5_C2H5 & + CH2_CH2CHO_coeff * CH2_C2H5 & + HCCO_CH2CHO_coeff * HCCO_C2H5 & + CH3O_CH2CHO_coeff * CH3O_C2H5 & + CH_CH2CHO_coeff * CH_C2H5 & + HCO_CH2CHO_coeff * HCO_C2H5 & ) ! C2H3 --------------------------------------- C2H3_denom2 = tiny(1.0_pr) + ( C2H3_denom1 & - CH2DXCH2_C2H3_coeff * CH2DXCH2_C2H3 & - AXC3H5_C2H3_coeff * AXC3H5_C2H3 & - CH2_C2H3_coeff * CH2_C2H3 & - HCCO_C2H3_coeff * HCCO_C2H3 & - CH3O_C2H3_coeff * CH3O_C2H3 & - CH_C2H3_coeff * CH_C2H3 & - HCO_C2H3_coeff * HCO_C2H3 & - C2H5_C2H3_coeff * C2H5_C2H3 ) C2H3_ct2 = ( C2H3_ct1 & + CH2DXCH2_C2H3_coeff * CH2DXCH2_ct2 & + AXC3H5_C2H3_coeff * AXC3H5_ct2 & + CH2_C2H3_coeff * CH2_ct2 & + HCCO_C2H3_coeff * HCCO_ct2 & + CH3O_C2H3_coeff * CH3O_ct2 & + CH_C2H3_coeff * CH_ct2 & + HCO_C2H3_coeff * HCO_ct2 & + C2H5_C2H3_coeff * C2H5_ct2 & ) / C2H3_denom2 C2H3_N = ( 0.0_pr & + CH2DXCH2_C2H3_coeff * CH2DXCH2_N& + AXC3H5_C2H3_coeff * AXC3H5_N& + CH2_C2H3_coeff * CH2_N& + HCCO_C2H3_coeff * HCCO_N& + CH3O_C2H3_coeff * CH3O_N& + CH_C2H3_coeff * CH_N& + HCO_C2H3_coeff * HCO_N& + C2H5_C2H3_coeff * C2H5_N& ) / C2H3_denom2 C2H3_NCO = ( 0.0_pr & + CH2DXCH2_C2H3_coeff * CH2DXCH2_NCO& + AXC3H5_C2H3_coeff * AXC3H5_NCO& + CH2_C2H3_coeff * CH2_NCO& + HCCO_C2H3_coeff * HCCO_NCO& + CH3O_C2H3_coeff * CH3O_NCO& + CH_C2H3_coeff * CH_NCO& + HCO_C2H3_coeff * HCO_NCO& + C2H5_C2H3_coeff * C2H5_NCO& ) / C2H3_denom2 C2H3_NH = ( 0.0_pr & + CH2DXCH2_C2H3_coeff * CH2DXCH2_NH& + AXC3H5_C2H3_coeff * AXC3H5_NH& + CH2_C2H3_coeff * CH2_NH& + HCCO_C2H3_coeff * HCCO_NH& + CH3O_C2H3_coeff * CH3O_NH& + CH_C2H3_coeff * CH_NH& + HCO_C2H3_coeff * HCO_NH& + C2H5_C2H3_coeff * C2H5_NH& ) / C2H3_denom2 C2H3_NH2 = ( 0.0_pr & + CH2DXCH2_C2H3_coeff * CH2DXCH2_NH2& + AXC3H5_C2H3_coeff * AXC3H5_NH2& + CH2_C2H3_coeff * CH2_NH2& + HCCO_C2H3_coeff * HCCO_NH2& + CH3O_C2H3_coeff * CH3O_NH2& + CH_C2H3_coeff * CH_NH2& + HCO_C2H3_coeff * HCO_NH2& + C2H5_C2H3_coeff * C2H5_NH2& ) / C2H3_denom2 C2H3_HNCO = ( 0.0_pr & + CH2DXCH2_C2H3_coeff * CH2DXCH2_HNCO& + AXC3H5_C2H3_coeff * AXC3H5_HNCO& + CH2_C2H3_coeff * CH2_HNCO& + HCCO_C2H3_coeff * HCCO_HNCO& + CH3O_C2H3_coeff * CH3O_HNCO& + CH_C2H3_coeff * CH_HNCO& + HCO_C2H3_coeff * HCO_HNCO& + C2H5_C2H3_coeff * C2H5_HNCO& ) / C2H3_denom2 C2H3_HNO = ( 0.0_pr & + k(r308) * c(sC2H2) & + CH2DXCH2_C2H3_coeff * CH2DXCH2_HNO& + AXC3H5_C2H3_coeff * AXC3H5_HNO& + CH2_C2H3_coeff * CH2_HNO& + HCCO_C2H3_coeff * HCCO_HNO& + CH3O_C2H3_coeff * CH3O_HNO& + CH_C2H3_coeff * CH_HNO& + HCO_C2H3_coeff * HCO_HNO& + C2H5_C2H3_coeff * C2H5_HNO& ) / C2H3_denom2 C2H3_CH2CHO = ( 0.0_pr & + CH2DXCH2_C2H3_coeff * CH2DXCH2_CH2CHO& + AXC3H5_C2H3_coeff * AXC3H5_CH2CHO& + CH2_C2H3_coeff * CH2_CH2CHO& + HCCO_C2H3_coeff * HCCO_CH2CHO& + CH3O_C2H3_coeff * CH3O_CH2CHO& + CH_C2H3_coeff * CH_CH2CHO& + HCO_C2H3_coeff * HCO_CH2CHO& + C2H5_C2H3_coeff * C2H5_CH2CHO& ) / C2H3_denom2 C2H3_N_coeff = ( 0.0_pr & + CH2DXCH2_N_coeff * CH2DXCH2_C2H3 & + AXC3H5_N_coeff * AXC3H5_C2H3 & + CH2_N_coeff * CH2_C2H3 & + HCCO_N_coeff * HCCO_C2H3 & + CH3O_N_coeff * CH3O_C2H3 & + CH_N_coeff * CH_C2H3 & + HCO_N_coeff * HCO_C2H3 & + C2H5_N_coeff * C2H5_C2H3 & ) C2H3_NCO_coeff = ( 0.0_pr & + CH2DXCH2_NCO_coeff * CH2DXCH2_C2H3 & + AXC3H5_NCO_coeff * AXC3H5_C2H3 & + CH2_NCO_coeff * CH2_C2H3 & + HCCO_NCO_coeff * HCCO_C2H3 & + CH3O_NCO_coeff * CH3O_C2H3 & + CH_NCO_coeff * CH_C2H3 & + HCO_NCO_coeff * HCO_C2H3 & + C2H5_NCO_coeff * C2H5_C2H3 & ) C2H3_NH_coeff = ( 0.0_pr & + CH2DXCH2_NH_coeff * CH2DXCH2_C2H3 & + AXC3H5_NH_coeff * AXC3H5_C2H3 & + CH2_NH_coeff * CH2_C2H3 & + HCCO_NH_coeff * HCCO_C2H3 & + CH3O_NH_coeff * CH3O_C2H3 & + CH_NH_coeff * CH_C2H3 & + HCO_NH_coeff * HCO_C2H3 & + C2H5_NH_coeff * C2H5_C2H3 & ) C2H3_NH2_coeff = ( 0.0_pr & + CH2DXCH2_NH2_coeff * CH2DXCH2_C2H3 & + AXC3H5_NH2_coeff * AXC3H5_C2H3 & + CH2_NH2_coeff * CH2_C2H3 & + HCCO_NH2_coeff * HCCO_C2H3 & + CH3O_NH2_coeff * CH3O_C2H3 & + CH_NH2_coeff * CH_C2H3 & + HCO_NH2_coeff * HCO_C2H3 & + C2H5_NH2_coeff * C2H5_C2H3 & ) C2H3_HNCO_coeff = ( 0.0_pr & + CH2DXCH2_HNCO_coeff * CH2DXCH2_C2H3 & + AXC3H5_HNCO_coeff * AXC3H5_C2H3 & + CH2_HNCO_coeff * CH2_C2H3 & + HCCO_HNCO_coeff * HCCO_C2H3 & + CH3O_HNCO_coeff * CH3O_C2H3 & + CH_HNCO_coeff * CH_C2H3 & + HCO_HNCO_coeff * HCO_C2H3 & + C2H5_HNCO_coeff * C2H5_C2H3 & ) C2H3_HNO_coeff = ( 0.0_pr & + k(r291) * c(sNO) & + CH2DXCH2_HNO_coeff * CH2DXCH2_C2H3 & + AXC3H5_HNO_coeff * AXC3H5_C2H3 & + CH2_HNO_coeff * CH2_C2H3 & + HCCO_HNO_coeff * HCCO_C2H3 & + CH3O_HNO_coeff * CH3O_C2H3 & + CH_HNO_coeff * CH_C2H3 & + HCO_HNO_coeff * HCO_C2H3 & + C2H5_HNO_coeff * C2H5_C2H3 & ) C2H3_CH2CHO_coeff = ( 0.0_pr & + k(r128) * c(sO2)+ k(r129) * c(sHO2) & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_C2H3 & + AXC3H5_CH2CHO_coeff * AXC3H5_C2H3 & + CH2_CH2CHO_coeff * CH2_C2H3 & + HCCO_CH2CHO_coeff * HCCO_C2H3 & + CH3O_CH2CHO_coeff * CH3O_C2H3 & + CH_CH2CHO_coeff * CH_C2H3 & + HCO_CH2CHO_coeff * HCO_C2H3 & + C2H5_CH2CHO_coeff * C2H5_C2H3 & ) ! N --------------------------------------- N_denom2 = tiny(1.0_pr) + ( N_denom1 & - CH2DXCH2_N_coeff * CH2DXCH2_N & - AXC3H5_N_coeff * AXC3H5_N & - CH2_N_coeff * CH2_N & - HCCO_N_coeff * HCCO_N & - CH3O_N_coeff * CH3O_N & - CH_N_coeff * CH_N & - HCO_N_coeff * HCO_N & - C2H5_N_coeff * C2H5_N & - C2H3_N_coeff * C2H3_N ) N_ct2 = ( N_ct1 & + CH2DXCH2_N_coeff * CH2DXCH2_ct2 & + AXC3H5_N_coeff * AXC3H5_ct2 & + CH2_N_coeff * CH2_ct2 & + HCCO_N_coeff * HCCO_ct2 & + CH3O_N_coeff * CH3O_ct2 & + CH_N_coeff * CH_ct2 & + HCO_N_coeff * HCO_ct2 & + C2H5_N_coeff * C2H5_ct2 & + C2H3_N_coeff * C2H3_ct2 & ) / N_denom2 N_NCO = ( 0.0_pr & + k(r332) * M(mM80) & + CH2DXCH2_N_coeff * CH2DXCH2_NCO& + AXC3H5_N_coeff * AXC3H5_NCO& + CH2_N_coeff * CH2_NCO& + HCCO_N_coeff * HCCO_NCO& + CH3O_N_coeff * CH3O_NCO& + CH_N_coeff * CH_NCO& + HCO_N_coeff * HCO_NCO& + C2H5_N_coeff * C2H5_NCO& + C2H3_N_coeff * C2H3_NCO& ) / N_denom2 N_NH = ( 0.0_pr & + k(r262) * c(sOH)+ k(r268) * c(sH) & + CH2DXCH2_N_coeff * CH2DXCH2_NH& + AXC3H5_N_coeff * AXC3H5_NH& + CH2_N_coeff * CH2_NH& + HCCO_N_coeff * HCCO_NH& + CH3O_N_coeff * CH3O_NH& + CH_N_coeff * CH_NH& + HCO_N_coeff * HCO_NH& + C2H5_N_coeff * C2H5_NH& + C2H3_N_coeff * C2H3_NH& ) / N_denom2 N_NH2 = ( 0.0_pr & + CH2DXCH2_N_coeff * CH2DXCH2_NH2& + AXC3H5_N_coeff * AXC3H5_NH2& + CH2_N_coeff * CH2_NH2& + HCCO_N_coeff * HCCO_NH2& + CH3O_N_coeff * CH3O_NH2& + CH_N_coeff * CH_NH2& + HCO_N_coeff * HCO_NH2& + C2H5_N_coeff * C2H5_NH2& + C2H3_N_coeff * C2H3_NH2& ) / N_denom2 N_HNCO = ( 0.0_pr & + CH2DXCH2_N_coeff * CH2DXCH2_HNCO& + AXC3H5_N_coeff * AXC3H5_HNCO& + CH2_N_coeff * CH2_HNCO& + HCCO_N_coeff * HCCO_HNCO& + CH3O_N_coeff * CH3O_HNCO& + CH_N_coeff * CH_HNCO& + HCO_N_coeff * HCO_HNCO& + C2H5_N_coeff * C2H5_HNCO& + C2H3_N_coeff * C2H3_HNCO& ) / N_denom2 N_HNO = ( 0.0_pr & + CH2DXCH2_N_coeff * CH2DXCH2_HNO& + AXC3H5_N_coeff * AXC3H5_HNO& + CH2_N_coeff * CH2_HNO& + HCCO_N_coeff * HCCO_HNO& + CH3O_N_coeff * CH3O_HNO& + CH_N_coeff * CH_HNO& + HCO_N_coeff * HCO_HNO& + C2H5_N_coeff * C2H5_HNO& + C2H3_N_coeff * C2H3_HNO& ) / N_denom2 N_CH2CHO = ( 0.0_pr & + CH2DXCH2_N_coeff * CH2DXCH2_CH2CHO& + AXC3H5_N_coeff * AXC3H5_CH2CHO& + CH2_N_coeff * CH2_CH2CHO& + HCCO_N_coeff * HCCO_CH2CHO& + CH3O_N_coeff * CH3O_CH2CHO& + CH_N_coeff * CH_CH2CHO& + HCO_N_coeff * HCO_CH2CHO& + C2H5_N_coeff * C2H5_CH2CHO& + C2H3_N_coeff * C2H3_CH2CHO& ) / N_denom2 N_NCO_coeff = ( 0.0_pr & + k(r253) * c(sCO) * M(mM81) & + CH2DXCH2_NCO_coeff * CH2DXCH2_N & + AXC3H5_NCO_coeff * AXC3H5_N & + CH2_NCO_coeff * CH2_N & + HCCO_NCO_coeff * HCCO_N & + CH3O_NCO_coeff * CH3O_N & + CH_NCO_coeff * CH_N & + HCO_NCO_coeff * HCO_N & + C2H5_NCO_coeff * C2H5_N & + C2H3_NCO_coeff * C2H3_N & ) N_NH_coeff = ( 0.0_pr & + k(r250) * c(sH2)+ k(r257) * c(sH2O) & + CH2DXCH2_NH_coeff * CH2DXCH2_N & + AXC3H5_NH_coeff * AXC3H5_N & + CH2_NH_coeff * CH2_N & + HCCO_NH_coeff * HCCO_N & + CH3O_NH_coeff * CH3O_N & + CH_NH_coeff * CH_N & + HCO_NH_coeff * HCO_N & + C2H5_NH_coeff * C2H5_N & + C2H3_NH_coeff * C2H3_N & ) N_NH2_coeff = ( 0.0_pr & + CH2DXCH2_NH2_coeff * CH2DXCH2_N & + AXC3H5_NH2_coeff * AXC3H5_N & + CH2_NH2_coeff * CH2_N & + HCCO_NH2_coeff * HCCO_N & + CH3O_NH2_coeff * CH3O_N & + CH_NH2_coeff * CH_N & + HCO_NH2_coeff * HCO_N & + C2H5_NH2_coeff * C2H5_N & + C2H3_NH2_coeff * C2H3_N & ) N_HNCO_coeff = ( 0.0_pr & + CH2DXCH2_HNCO_coeff * CH2DXCH2_N & + AXC3H5_HNCO_coeff * AXC3H5_N & + CH2_HNCO_coeff * CH2_N & + HCCO_HNCO_coeff * HCCO_N & + CH3O_HNCO_coeff * CH3O_N & + CH_HNCO_coeff * CH_N & + HCO_HNCO_coeff * HCO_N & + C2H5_HNCO_coeff * C2H5_N & + C2H3_HNCO_coeff * C2H3_N & ) N_HNO_coeff = ( 0.0_pr & + CH2DXCH2_HNO_coeff * CH2DXCH2_N & + AXC3H5_HNO_coeff * AXC3H5_N & + CH2_HNO_coeff * CH2_N & + HCCO_HNO_coeff * HCCO_N & + CH3O_HNO_coeff * CH3O_N & + CH_HNO_coeff * CH_N & + HCO_HNO_coeff * HCO_N & + C2H5_HNO_coeff * C2H5_N & + C2H3_HNO_coeff * C2H3_N & ) N_CH2CHO_coeff = ( 0.0_pr & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_N & + AXC3H5_CH2CHO_coeff * AXC3H5_N & + CH2_CH2CHO_coeff * CH2_N & + HCCO_CH2CHO_coeff * HCCO_N & + CH3O_CH2CHO_coeff * CH3O_N & + CH_CH2CHO_coeff * CH_N & + HCO_CH2CHO_coeff * HCO_N & + C2H5_CH2CHO_coeff * C2H5_N & + C2H3_CH2CHO_coeff * C2H3_N & ) ! NCO --------------------------------------- NCO_denom2 = tiny(1.0_pr) + ( NCO_denom1 & - CH2DXCH2_NCO_coeff * CH2DXCH2_NCO & - AXC3H5_NCO_coeff * AXC3H5_NCO & - CH2_NCO_coeff * CH2_NCO & - HCCO_NCO_coeff * HCCO_NCO & - CH3O_NCO_coeff * CH3O_NCO & - CH_NCO_coeff * CH_NCO & - HCO_NCO_coeff * HCO_NCO & - C2H5_NCO_coeff * C2H5_NCO & - C2H3_NCO_coeff * C2H3_NCO & - N_NCO_coeff * N_NCO ) NCO_ct2 = ( NCO_ct1 & + CH2DXCH2_NCO_coeff * CH2DXCH2_ct2 & + AXC3H5_NCO_coeff * AXC3H5_ct2 & + CH2_NCO_coeff * CH2_ct2 & + HCCO_NCO_coeff * HCCO_ct2 & + CH3O_NCO_coeff * CH3O_ct2 & + CH_NCO_coeff * CH_ct2 & + HCO_NCO_coeff * HCO_ct2 & + C2H5_NCO_coeff * C2H5_ct2 & + C2H3_NCO_coeff * C2H3_ct2 & + N_NCO_coeff * N_ct2 & ) / NCO_denom2 NCO_NH = ( 0.0_pr & + k(r260) * c(sCO) & + CH2DXCH2_NCO_coeff * CH2DXCH2_NH& + AXC3H5_NCO_coeff * AXC3H5_NH& + CH2_NCO_coeff * CH2_NH& + HCCO_NCO_coeff * HCCO_NH& + CH3O_NCO_coeff * CH3O_NH& + CH_NCO_coeff * CH_NH& + HCO_NCO_coeff * HCO_NH& + C2H5_NCO_coeff * C2H5_NH& + C2H3_NCO_coeff * C2H3_NH& + N_NCO_coeff * N_NH& ) / NCO_denom2 NCO_NH2 = ( 0.0_pr & + CH2DXCH2_NCO_coeff * CH2DXCH2_NH2& + AXC3H5_NCO_coeff * AXC3H5_NH2& + CH2_NCO_coeff * CH2_NH2& + HCCO_NCO_coeff * HCCO_NH2& + CH3O_NCO_coeff * CH3O_NH2& + CH_NCO_coeff * CH_NH2& + HCO_NCO_coeff * HCO_NH2& + C2H5_NCO_coeff * C2H5_NH2& + C2H3_NCO_coeff * C2H3_NH2& + N_NCO_coeff * N_NH2& ) / NCO_denom2 NCO_HNCO = ( 0.0_pr & + k(r345) * c(sH)+ k(r346) * c(sOH)+ k(r347) * c(sO)+ k(r349) * c(sCH3) & + CH2DXCH2_NCO_coeff * CH2DXCH2_HNCO& + AXC3H5_NCO_coeff * AXC3H5_HNCO& + CH2_NCO_coeff * CH2_HNCO& + HCCO_NCO_coeff * HCCO_HNCO& + CH3O_NCO_coeff * CH3O_HNCO& + CH_NCO_coeff * CH_HNCO& + HCO_NCO_coeff * HCO_HNCO& + C2H5_NCO_coeff * C2H5_HNCO& + C2H3_NCO_coeff * C2H3_HNCO& + N_NCO_coeff * N_HNCO& ) / NCO_denom2 NCO_HNO = ( 0.0_pr & + CH2DXCH2_NCO_coeff * CH2DXCH2_HNO& + AXC3H5_NCO_coeff * AXC3H5_HNO& + CH2_NCO_coeff * CH2_HNO& + HCCO_NCO_coeff * HCCO_HNO& + CH3O_NCO_coeff * CH3O_HNO& + CH_NCO_coeff * CH_HNO& + HCO_NCO_coeff * HCO_HNO& + C2H5_NCO_coeff * C2H5_HNO& + C2H3_NCO_coeff * C2H3_HNO& + N_NCO_coeff * N_HNO& ) / NCO_denom2 NCO_CH2CHO = ( 0.0_pr & + CH2DXCH2_NCO_coeff * CH2DXCH2_CH2CHO& + AXC3H5_NCO_coeff * AXC3H5_CH2CHO& + CH2_NCO_coeff * CH2_CH2CHO& + HCCO_NCO_coeff * HCCO_CH2CHO& + CH3O_NCO_coeff * CH3O_CH2CHO& + CH_NCO_coeff * CH_CH2CHO& + HCO_NCO_coeff * HCO_CH2CHO& + C2H5_NCO_coeff * C2H5_CH2CHO& + C2H3_NCO_coeff * C2H3_CH2CHO& + N_NCO_coeff * N_CH2CHO& ) / NCO_denom2 NCO_NH_coeff = ( 0.0_pr & + k(r331) * c(sH) & + CH2DXCH2_NH_coeff * CH2DXCH2_NCO & + AXC3H5_NH_coeff * AXC3H5_NCO & + CH2_NH_coeff * CH2_NCO & + HCCO_NH_coeff * HCCO_NCO & + CH3O_NH_coeff * CH3O_NCO & + CH_NH_coeff * CH_NCO & + HCO_NH_coeff * HCO_NCO & + C2H5_NH_coeff * C2H5_NCO & + C2H3_NH_coeff * C2H3_NCO & + N_NH_coeff * N_NCO & ) NCO_NH2_coeff = ( 0.0_pr & + CH2DXCH2_NH2_coeff * CH2DXCH2_NCO & + AXC3H5_NH2_coeff * AXC3H5_NCO & + CH2_NH2_coeff * CH2_NCO & + HCCO_NH2_coeff * HCCO_NCO & + CH3O_NH2_coeff * CH3O_NCO & + CH_NH2_coeff * CH_NCO & + HCO_NH2_coeff * HCO_NCO & + C2H5_NH2_coeff * C2H5_NCO & + C2H3_NH2_coeff * C2H3_NCO & + N_NH2_coeff * N_NCO & ) NCO_HNCO_coeff = ( 0.0_pr & + k(r334) * c(sH2)+ k(r335) * c(sCH2O)+ k(r336) * c(sOH)+ & k(r337) * c(sC2H6)+ k(r339) * c(sH2O)+ k(r340) * c(sHO2)+ k(r341) * c(sCH4) & + CH2DXCH2_HNCO_coeff * CH2DXCH2_NCO & + AXC3H5_HNCO_coeff * AXC3H5_NCO & + CH2_HNCO_coeff * CH2_NCO & + HCCO_HNCO_coeff * HCCO_NCO & + CH3O_HNCO_coeff * CH3O_NCO & + CH_HNCO_coeff * CH_NCO & + HCO_HNCO_coeff * HCO_NCO & + C2H5_HNCO_coeff * C2H5_NCO & + C2H3_HNCO_coeff * C2H3_NCO & + N_HNCO_coeff * N_NCO & ) NCO_HNO_coeff = ( 0.0_pr & + CH2DXCH2_HNO_coeff * CH2DXCH2_NCO & + AXC3H5_HNO_coeff * AXC3H5_NCO & + CH2_HNO_coeff * CH2_NCO & + HCCO_HNO_coeff * HCCO_NCO & + CH3O_HNO_coeff * CH3O_NCO & + CH_HNO_coeff * CH_NCO & + HCO_HNO_coeff * HCO_NCO & + C2H5_HNO_coeff * C2H5_NCO & + C2H3_HNO_coeff * C2H3_NCO & + N_HNO_coeff * N_NCO & ) NCO_CH2CHO_coeff = ( 0.0_pr & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_NCO & + AXC3H5_CH2CHO_coeff * AXC3H5_NCO & + CH2_CH2CHO_coeff * CH2_NCO & + HCCO_CH2CHO_coeff * HCCO_NCO & + CH3O_CH2CHO_coeff * CH3O_NCO & + CH_CH2CHO_coeff * CH_NCO & + HCO_CH2CHO_coeff * HCO_NCO & + C2H5_CH2CHO_coeff * C2H5_NCO & + C2H3_CH2CHO_coeff * C2H3_NCO & + N_CH2CHO_coeff * N_NCO & ) ! NH --------------------------------------- NH_denom2 = tiny(1.0_pr) + ( NH_denom1 & - CH2DXCH2_NH_coeff * CH2DXCH2_NH & - AXC3H5_NH_coeff * AXC3H5_NH & - CH2_NH_coeff * CH2_NH & - HCCO_NH_coeff * HCCO_NH & - CH3O_NH_coeff * CH3O_NH & - CH_NH_coeff * CH_NH & - HCO_NH_coeff * HCO_NH & - C2H5_NH_coeff * C2H5_NH & - C2H3_NH_coeff * C2H3_NH & - N_NH_coeff * N_NH & - NCO_NH_coeff * NCO_NH ) NH_ct2 = ( NH_ct1 & + CH2DXCH2_NH_coeff * CH2DXCH2_ct2 & + AXC3H5_NH_coeff * AXC3H5_ct2 & + CH2_NH_coeff * CH2_ct2 & + HCCO_NH_coeff * HCCO_ct2 & + CH3O_NH_coeff * CH3O_ct2 & + CH_NH_coeff * CH_ct2 & + HCO_NH_coeff * HCO_ct2 & + C2H5_NH_coeff * C2H5_ct2 & + C2H3_NH_coeff * C2H3_ct2 & + N_NH_coeff * N_ct2 & + NCO_NH_coeff * NCO_ct2 & ) / NH_denom2 NH_NH2 = ( 0.0_pr & + k(r270) * c(sO)+ k(r272) * c(sOH)+ k(r274) * c(sH) & + CH2DXCH2_NH_coeff * CH2DXCH2_NH2& + AXC3H5_NH_coeff * AXC3H5_NH2& + CH2_NH_coeff * CH2_NH2& + HCCO_NH_coeff * HCCO_NH2& + CH3O_NH_coeff * CH3O_NH2& + CH_NH_coeff * CH_NH2& + HCO_NH_coeff * HCO_NH2& + C2H5_NH_coeff * C2H5_NH2& + C2H3_NH_coeff * C2H3_NH2& + N_NH_coeff * N_NH2& + NCO_NH_coeff * NCO_NH2& ) / NH_denom2 NH_HNCO = ( 0.0_pr & + k(r344) * c(sO)+ k(r348) * M(mM78) & + CH2DXCH2_NH_coeff * CH2DXCH2_HNCO& + AXC3H5_NH_coeff * AXC3H5_HNCO& + CH2_NH_coeff * CH2_HNCO& + HCCO_NH_coeff * HCCO_HNCO& + CH3O_NH_coeff * CH3O_HNCO& + CH_NH_coeff * CH_HNCO& + HCO_NH_coeff * HCO_HNCO& + C2H5_NH_coeff * C2H5_HNCO& + C2H3_NH_coeff * C2H3_HNCO& + N_NH_coeff * N_HNCO& + NCO_NH_coeff * NCO_HNCO& ) / NH_denom2 NH_HNO = ( 0.0_pr & + k(r305) * c(sO)+ k(r306) * c(sH) & + CH2DXCH2_NH_coeff * CH2DXCH2_HNO& + AXC3H5_NH_coeff * AXC3H5_HNO& + CH2_NH_coeff * CH2_HNO& + HCCO_NH_coeff * HCCO_HNO& + CH3O_NH_coeff * CH3O_HNO& + CH_NH_coeff * CH_HNO& + HCO_NH_coeff * HCO_HNO& + C2H5_NH_coeff * C2H5_HNO& + C2H3_NH_coeff * C2H3_HNO& + N_NH_coeff * N_HNO& + NCO_NH_coeff * NCO_HNO& ) / NH_denom2 NH_CH2CHO = ( 0.0_pr & + CH2DXCH2_NH_coeff * CH2DXCH2_CH2CHO& + AXC3H5_NH_coeff * AXC3H5_CH2CHO& + CH2_NH_coeff * CH2_CH2CHO& + HCCO_NH_coeff * HCCO_CH2CHO& + CH3O_NH_coeff * CH3O_CH2CHO& + CH_NH_coeff * CH_CH2CHO& + HCO_NH_coeff * HCO_CH2CHO& + C2H5_NH_coeff * C2H5_CH2CHO& + C2H3_NH_coeff * C2H3_CH2CHO& + N_NH_coeff * N_CH2CHO& + NCO_NH_coeff * NCO_CH2CHO& ) / NH_denom2 NH_NH2_coeff = ( 0.0_pr & + k(r259) * c(sOH)+ k(r264) * c(sH2O)+ k(r266) * c(sH2) & + CH2DXCH2_NH2_coeff * CH2DXCH2_NH & + AXC3H5_NH2_coeff * AXC3H5_NH & + CH2_NH2_coeff * CH2_NH & + HCCO_NH2_coeff * HCCO_NH & + CH3O_NH2_coeff * CH3O_NH & + CH_NH2_coeff * CH_NH & + HCO_NH2_coeff * HCO_NH & + C2H5_NH2_coeff * C2H5_NH & + C2H3_NH2_coeff * C2H3_NH & + N_NH2_coeff * N_NH & + NCO_NH2_coeff * NCO_NH & ) NH_HNCO_coeff = ( 0.0_pr & + k(r261) * c(sCO) * M(mM79) & + CH2DXCH2_HNCO_coeff * CH2DXCH2_NH & + AXC3H5_HNCO_coeff * AXC3H5_NH & + CH2_HNCO_coeff * CH2_NH & + HCCO_HNCO_coeff * HCCO_NH & + CH3O_HNCO_coeff * CH3O_NH & + CH_HNCO_coeff * CH_NH & + HCO_HNCO_coeff * HCO_NH & + C2H5_HNCO_coeff * C2H5_NH & + C2H3_HNCO_coeff * C2H3_NH & + N_HNCO_coeff * N_NH & + NCO_HNCO_coeff * NCO_NH & ) NH_HNO_coeff = ( 0.0_pr & + k(r263) * c(sOH)+ k(r265) * c(sO2) & + CH2DXCH2_HNO_coeff * CH2DXCH2_NH & + AXC3H5_HNO_coeff * AXC3H5_NH & + CH2_HNO_coeff * CH2_NH & + HCCO_HNO_coeff * HCCO_NH & + CH3O_HNO_coeff * CH3O_NH & + CH_HNO_coeff * CH_NH & + HCO_HNO_coeff * HCO_NH & + C2H5_HNO_coeff * C2H5_NH & + C2H3_HNO_coeff * C2H3_NH & + N_HNO_coeff * N_NH & + NCO_HNO_coeff * NCO_NH & ) NH_CH2CHO_coeff = ( 0.0_pr & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_NH & + AXC3H5_CH2CHO_coeff * AXC3H5_NH & + CH2_CH2CHO_coeff * CH2_NH & + HCCO_CH2CHO_coeff * HCCO_NH & + CH3O_CH2CHO_coeff * CH3O_NH & + CH_CH2CHO_coeff * CH_NH & + HCO_CH2CHO_coeff * HCO_NH & + C2H5_CH2CHO_coeff * C2H5_NH & + C2H3_CH2CHO_coeff * C2H3_NH & + N_CH2CHO_coeff * N_NH & + NCO_CH2CHO_coeff * NCO_NH & ) ! NH2 --------------------------------------- NH2_denom2 = tiny(1.0_pr) + ( NH2_denom1 & - CH2DXCH2_NH2_coeff * CH2DXCH2_NH2 & - AXC3H5_NH2_coeff * AXC3H5_NH2 & - CH2_NH2_coeff * CH2_NH2 & - HCCO_NH2_coeff * HCCO_NH2 & - CH3O_NH2_coeff * CH3O_NH2 & - CH_NH2_coeff * CH_NH2 & - HCO_NH2_coeff * HCO_NH2 & - C2H5_NH2_coeff * C2H5_NH2 & - C2H3_NH2_coeff * C2H3_NH2 & - N_NH2_coeff * N_NH2 & - NCO_NH2_coeff * NCO_NH2 & - NH_NH2_coeff * NH_NH2 ) NH2_ct2 = ( NH2_ct1 & + CH2DXCH2_NH2_coeff * CH2DXCH2_ct2 & + AXC3H5_NH2_coeff * AXC3H5_ct2 & + CH2_NH2_coeff * CH2_ct2 & + HCCO_NH2_coeff * HCCO_ct2 & + CH3O_NH2_coeff * CH3O_ct2 & + CH_NH2_coeff * CH_ct2 & + HCO_NH2_coeff * HCO_ct2 & + C2H5_NH2_coeff * C2H5_ct2 & + C2H3_NH2_coeff * C2H3_ct2 & + N_NH2_coeff * N_ct2 & + NCO_NH2_coeff * NCO_ct2 & + NH_NH2_coeff * NH_ct2 & ) / NH2_denom2 NH2_HNCO = ( 0.0_pr & + k(r343) * c(sH) & + CH2DXCH2_NH2_coeff * CH2DXCH2_HNCO& + AXC3H5_NH2_coeff * AXC3H5_HNCO& + CH2_NH2_coeff * CH2_HNCO& + HCCO_NH2_coeff * HCCO_HNCO& + CH3O_NH2_coeff * CH3O_HNCO& + CH_NH2_coeff * CH_HNCO& + HCO_NH2_coeff * HCO_HNCO& + C2H5_NH2_coeff * C2H5_HNCO& + C2H3_NH2_coeff * C2H3_HNCO& + N_NH2_coeff * N_HNCO& + NCO_NH2_coeff * NCO_HNCO& + NH_NH2_coeff * NH_HNCO& ) / NH2_denom2 NH2_HNO = ( 0.0_pr & + CH2DXCH2_NH2_coeff * CH2DXCH2_HNO& + AXC3H5_NH2_coeff * AXC3H5_HNO& + CH2_NH2_coeff * CH2_HNO& + HCCO_NH2_coeff * HCCO_HNO& + CH3O_NH2_coeff * CH3O_HNO& + CH_NH2_coeff * CH_HNO& + HCO_NH2_coeff * HCO_HNO& + C2H5_NH2_coeff * C2H5_HNO& + C2H3_NH2_coeff * C2H3_HNO& + N_NH2_coeff * N_HNO& + NCO_NH2_coeff * NCO_HNO& + NH_NH2_coeff * NH_HNO& ) / NH2_denom2 NH2_CH2CHO = ( 0.0_pr & + CH2DXCH2_NH2_coeff * CH2DXCH2_CH2CHO& + AXC3H5_NH2_coeff * AXC3H5_CH2CHO& + CH2_NH2_coeff * CH2_CH2CHO& + HCCO_NH2_coeff * HCCO_CH2CHO& + CH3O_NH2_coeff * CH3O_CH2CHO& + CH_NH2_coeff * CH_CH2CHO& + HCO_NH2_coeff * HCO_CH2CHO& + C2H5_NH2_coeff * C2H5_CH2CHO& + C2H3_NH2_coeff * C2H3_CH2CHO& + N_NH2_coeff * N_CH2CHO& + NCO_NH2_coeff * NCO_CH2CHO& + NH_NH2_coeff * NH_CH2CHO& ) / NH2_denom2 NH2_HNCO_coeff = ( 0.0_pr & + k(r269) * c(sCO) & + CH2DXCH2_HNCO_coeff * CH2DXCH2_NH2 & + AXC3H5_HNCO_coeff * AXC3H5_NH2 & + CH2_HNCO_coeff * CH2_NH2 & + HCCO_HNCO_coeff * HCCO_NH2 & + CH3O_HNCO_coeff * CH3O_NH2 & + CH_HNCO_coeff * CH_NH2 & + HCO_HNCO_coeff * HCO_NH2 & + C2H5_HNCO_coeff * C2H5_NH2 & + C2H3_HNCO_coeff * C2H3_NH2 & + N_HNCO_coeff * N_NH2 & + NCO_HNCO_coeff * NCO_NH2 & + NH_HNCO_coeff * NH_NH2 & ) NH2_HNO_coeff = ( 0.0_pr & + k(r273) * c(sO) & + CH2DXCH2_HNO_coeff * CH2DXCH2_NH2 & + AXC3H5_HNO_coeff * AXC3H5_NH2 & + CH2_HNO_coeff * CH2_NH2 & + HCCO_HNO_coeff * HCCO_NH2 & + CH3O_HNO_coeff * CH3O_NH2 & + CH_HNO_coeff * CH_NH2 & + HCO_HNO_coeff * HCO_NH2 & + C2H5_HNO_coeff * C2H5_NH2 & + C2H3_HNO_coeff * C2H3_NH2 & + N_HNO_coeff * N_NH2 & + NCO_HNO_coeff * NCO_NH2 & + NH_HNO_coeff * NH_NH2 & ) NH2_CH2CHO_coeff = ( 0.0_pr & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_NH2 & + AXC3H5_CH2CHO_coeff * AXC3H5_NH2 & + CH2_CH2CHO_coeff * CH2_NH2 & + HCCO_CH2CHO_coeff * HCCO_NH2 & + CH3O_CH2CHO_coeff * CH3O_NH2 & + CH_CH2CHO_coeff * CH_NH2 & + HCO_CH2CHO_coeff * HCO_NH2 & + C2H5_CH2CHO_coeff * C2H5_NH2 & + C2H3_CH2CHO_coeff * C2H3_NH2 & + N_CH2CHO_coeff * N_NH2 & + NCO_CH2CHO_coeff * NCO_NH2 & + NH_CH2CHO_coeff * NH_NH2 & ) ! HNCO --------------------------------------- HNCO_denom2 = tiny(1.0_pr) + ( HNCO_denom1 & - CH2DXCH2_HNCO_coeff * CH2DXCH2_HNCO & - AXC3H5_HNCO_coeff * AXC3H5_HNCO & - CH2_HNCO_coeff * CH2_HNCO & - HCCO_HNCO_coeff * HCCO_HNCO & - CH3O_HNCO_coeff * CH3O_HNCO & - CH_HNCO_coeff * CH_HNCO & - HCO_HNCO_coeff * HCO_HNCO & - C2H5_HNCO_coeff * C2H5_HNCO & - C2H3_HNCO_coeff * C2H3_HNCO & - N_HNCO_coeff * N_HNCO & - NCO_HNCO_coeff * NCO_HNCO & - NH_HNCO_coeff * NH_HNCO & - NH2_HNCO_coeff * NH2_HNCO ) HNCO_ct2 = ( HNCO_ct1 & + CH2DXCH2_HNCO_coeff * CH2DXCH2_ct2 & + AXC3H5_HNCO_coeff * AXC3H5_ct2 & + CH2_HNCO_coeff * CH2_ct2 & + HCCO_HNCO_coeff * HCCO_ct2 & + CH3O_HNCO_coeff * CH3O_ct2 & + CH_HNCO_coeff * CH_ct2 & + HCO_HNCO_coeff * HCO_ct2 & + C2H5_HNCO_coeff * C2H5_ct2 & + C2H3_HNCO_coeff * C2H3_ct2 & + N_HNCO_coeff * N_ct2 & + NCO_HNCO_coeff * NCO_ct2 & + NH_HNCO_coeff * NH_ct2 & + NH2_HNCO_coeff * NH2_ct2 & ) / HNCO_denom2 HNCO_HNO = ( 0.0_pr & + CH2DXCH2_HNCO_coeff * CH2DXCH2_HNO& + AXC3H5_HNCO_coeff * AXC3H5_HNO& + CH2_HNCO_coeff * CH2_HNO& + HCCO_HNCO_coeff * HCCO_HNO& + CH3O_HNCO_coeff * CH3O_HNO& + CH_HNCO_coeff * CH_HNO& + HCO_HNCO_coeff * HCO_HNO& + C2H5_HNCO_coeff * C2H5_HNO& + C2H3_HNCO_coeff * C2H3_HNO& + N_HNCO_coeff * N_HNO& + NCO_HNCO_coeff * NCO_HNO& + NH_HNCO_coeff * NH_HNO& + NH2_HNCO_coeff * NH2_HNO& ) / HNCO_denom2 HNCO_CH2CHO = ( 0.0_pr & + CH2DXCH2_HNCO_coeff * CH2DXCH2_CH2CHO& + AXC3H5_HNCO_coeff * AXC3H5_CH2CHO& + CH2_HNCO_coeff * CH2_CH2CHO& + HCCO_HNCO_coeff * HCCO_CH2CHO& + CH3O_HNCO_coeff * CH3O_CH2CHO& + CH_HNCO_coeff * CH_CH2CHO& + HCO_HNCO_coeff * HCO_CH2CHO& + C2H5_HNCO_coeff * C2H5_CH2CHO& + C2H3_HNCO_coeff * C2H3_CH2CHO& + N_HNCO_coeff * N_CH2CHO& + NCO_HNCO_coeff * NCO_CH2CHO& + NH_HNCO_coeff * NH_CH2CHO& + NH2_HNCO_coeff * NH2_CH2CHO& ) / HNCO_denom2 HNCO_HNO_coeff = ( 0.0_pr & + CH2DXCH2_HNO_coeff * CH2DXCH2_HNCO & + AXC3H5_HNO_coeff * AXC3H5_HNCO & + CH2_HNO_coeff * CH2_HNCO & + HCCO_HNO_coeff * HCCO_HNCO & + CH3O_HNO_coeff * CH3O_HNCO & + CH_HNO_coeff * CH_HNCO & + HCO_HNO_coeff * HCO_HNCO & + C2H5_HNO_coeff * C2H5_HNCO & + C2H3_HNO_coeff * C2H3_HNCO & + N_HNO_coeff * N_HNCO & + NCO_HNO_coeff * NCO_HNCO & + NH_HNO_coeff * NH_HNCO & + NH2_HNO_coeff * NH2_HNCO & ) HNCO_CH2CHO_coeff = ( 0.0_pr & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_HNCO & + AXC3H5_CH2CHO_coeff * AXC3H5_HNCO & + CH2_CH2CHO_coeff * CH2_HNCO & + HCCO_CH2CHO_coeff * HCCO_HNCO & + CH3O_CH2CHO_coeff * CH3O_HNCO & + CH_CH2CHO_coeff * CH_HNCO & + HCO_CH2CHO_coeff * HCO_HNCO & + C2H5_CH2CHO_coeff * C2H5_HNCO & + C2H3_CH2CHO_coeff * C2H3_HNCO & + N_CH2CHO_coeff * N_HNCO & + NCO_CH2CHO_coeff * NCO_HNCO & + NH_CH2CHO_coeff * NH_HNCO & + NH2_CH2CHO_coeff * NH2_HNCO & ) ! HNO --------------------------------------- HNO_denom2 = tiny(1.0_pr) + ( HNO_denom1 & - CH2DXCH2_HNO_coeff * CH2DXCH2_HNO & - AXC3H5_HNO_coeff * AXC3H5_HNO & - CH2_HNO_coeff * CH2_HNO & - HCCO_HNO_coeff * HCCO_HNO & - CH3O_HNO_coeff * CH3O_HNO & - CH_HNO_coeff * CH_HNO & - HCO_HNO_coeff * HCO_HNO & - C2H5_HNO_coeff * C2H5_HNO & - C2H3_HNO_coeff * C2H3_HNO & - N_HNO_coeff * N_HNO & - NCO_HNO_coeff * NCO_HNO & - NH_HNO_coeff * NH_HNO & - NH2_HNO_coeff * NH2_HNO & - HNCO_HNO_coeff * HNCO_HNO ) HNO_ct2 = ( HNO_ct1 & + CH2DXCH2_HNO_coeff * CH2DXCH2_ct2 & + AXC3H5_HNO_coeff * AXC3H5_ct2 & + CH2_HNO_coeff * CH2_ct2 & + HCCO_HNO_coeff * HCCO_ct2 & + CH3O_HNO_coeff * CH3O_ct2 & + CH_HNO_coeff * CH_ct2 & + HCO_HNO_coeff * HCO_ct2 & + C2H5_HNO_coeff * C2H5_ct2 & + C2H3_HNO_coeff * C2H3_ct2 & + N_HNO_coeff * N_ct2 & + NCO_HNO_coeff * NCO_ct2 & + NH_HNO_coeff * NH_ct2 & + NH2_HNO_coeff * NH2_ct2 & + HNCO_HNO_coeff * HNCO_ct2 & ) / HNO_denom2 HNO_CH2CHO = ( 0.0_pr & + CH2DXCH2_HNO_coeff * CH2DXCH2_CH2CHO& + AXC3H5_HNO_coeff * AXC3H5_CH2CHO& + CH2_HNO_coeff * CH2_CH2CHO& + HCCO_HNO_coeff * HCCO_CH2CHO& + CH3O_HNO_coeff * CH3O_CH2CHO& + CH_HNO_coeff * CH_CH2CHO& + HCO_HNO_coeff * HCO_CH2CHO& + C2H5_HNO_coeff * C2H5_CH2CHO& + C2H3_HNO_coeff * C2H3_CH2CHO& + N_HNO_coeff * N_CH2CHO& + NCO_HNO_coeff * NCO_CH2CHO& + NH_HNO_coeff * NH_CH2CHO& + NH2_HNO_coeff * NH2_CH2CHO& + HNCO_HNO_coeff * HNCO_CH2CHO& ) / HNO_denom2 HNO_CH2CHO_coeff = ( 0.0_pr & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_HNO & + AXC3H5_CH2CHO_coeff * AXC3H5_HNO & + CH2_CH2CHO_coeff * CH2_HNO & + HCCO_CH2CHO_coeff * HCCO_HNO & + CH3O_CH2CHO_coeff * CH3O_HNO & + CH_CH2CHO_coeff * CH_HNO & + HCO_CH2CHO_coeff * HCO_HNO & + C2H5_CH2CHO_coeff * C2H5_HNO & + C2H3_CH2CHO_coeff * C2H3_HNO & + N_CH2CHO_coeff * N_HNO & + NCO_CH2CHO_coeff * NCO_HNO & + NH_CH2CHO_coeff * NH_HNO & + NH2_CH2CHO_coeff * NH2_HNO & + HNCO_CH2CHO_coeff * HNCO_HNO & ) ! CH2CHO --------------------------------------- CH2CHO_denom2 = tiny(1.0_pr) + ( CH2CHO_denom1 & - CH2DXCH2_CH2CHO_coeff * CH2DXCH2_CH2CHO & - AXC3H5_CH2CHO_coeff * AXC3H5_CH2CHO & - CH2_CH2CHO_coeff * CH2_CH2CHO & - HCCO_CH2CHO_coeff * HCCO_CH2CHO & - CH3O_CH2CHO_coeff * CH3O_CH2CHO & - CH_CH2CHO_coeff * CH_CH2CHO & - HCO_CH2CHO_coeff * HCO_CH2CHO & - C2H5_CH2CHO_coeff * C2H5_CH2CHO & - C2H3_CH2CHO_coeff * C2H3_CH2CHO & - N_CH2CHO_coeff * N_CH2CHO & - NCO_CH2CHO_coeff * NCO_CH2CHO & - NH_CH2CHO_coeff * NH_CH2CHO & - NH2_CH2CHO_coeff * NH2_CH2CHO & - HNCO_CH2CHO_coeff * HNCO_CH2CHO & - HNO_CH2CHO_coeff * HNO_CH2CHO ) CH2CHO_ct2 = ( CH2CHO_ct1 & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_ct2 & + AXC3H5_CH2CHO_coeff * AXC3H5_ct2 & + CH2_CH2CHO_coeff * CH2_ct2 & + HCCO_CH2CHO_coeff * HCCO_ct2 & + CH3O_CH2CHO_coeff * CH3O_ct2 & + CH_CH2CHO_coeff * CH_ct2 & + HCO_CH2CHO_coeff * HCO_ct2 & + C2H5_CH2CHO_coeff * C2H5_ct2 & + C2H3_CH2CHO_coeff * C2H3_ct2 & + N_CH2CHO_coeff * N_ct2 & + NCO_CH2CHO_coeff * NCO_ct2 & + NH_CH2CHO_coeff * NH_ct2 & + NH2_CH2CHO_coeff * NH2_ct2 & + HNCO_CH2CHO_coeff * HNCO_ct2 & + HNO_CH2CHO_coeff * HNO_ct2 & ) / CH2CHO_denom2 ! Reconstruction ------------------------------------ cqss(sCH2CHO-nspec) = ( CH2CHO_ct2 ) cqss(sHNO-nspec) = ( HNO_ct2 & + HNO_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sHNCO-nspec) = ( HNCO_ct2 & + HNCO_HNO * cqss(sHNO-nspec)& + HNCO_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sNH2-nspec) = ( NH2_ct2 & + NH2_HNCO * cqss(sHNCO-nspec)& + NH2_HNO * cqss(sHNO-nspec)& + NH2_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sNH-nspec) = ( NH_ct2 & + NH_NH2 * cqss(sNH2-nspec)& + NH_HNCO * cqss(sHNCO-nspec)& + NH_HNO * cqss(sHNO-nspec)& + NH_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sNCO-nspec) = ( NCO_ct2 & + NCO_NH * cqss(sNH-nspec)& + NCO_NH2 * cqss(sNH2-nspec)& + NCO_HNCO * cqss(sHNCO-nspec)& + NCO_HNO * cqss(sHNO-nspec)& + NCO_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sN-nspec) = ( N_ct2 & + N_NCO * cqss(sNCO-nspec)& + N_NH * cqss(sNH-nspec)& + N_NH2 * cqss(sNH2-nspec)& + N_HNCO * cqss(sHNCO-nspec)& + N_HNO * cqss(sHNO-nspec)& + N_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sC2H3-nspec) = ( C2H3_ct2 & + C2H3_N * cqss(sN-nspec)& + C2H3_NCO * cqss(sNCO-nspec)& + C2H3_NH * cqss(sNH-nspec)& + C2H3_NH2 * cqss(sNH2-nspec)& + C2H3_HNCO * cqss(sHNCO-nspec)& + C2H3_HNO * cqss(sHNO-nspec)& + C2H3_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sC2H5-nspec) = ( C2H5_ct2 & + C2H5_C2H3 * cqss(sC2H3-nspec)& + C2H5_N * cqss(sN-nspec)& + C2H5_NCO * cqss(sNCO-nspec)& + C2H5_NH * cqss(sNH-nspec)& + C2H5_NH2 * cqss(sNH2-nspec)& + C2H5_HNCO * cqss(sHNCO-nspec)& + C2H5_HNO * cqss(sHNO-nspec)& + C2H5_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sHCO-nspec) = ( HCO_ct2 & + HCO_C2H5 * cqss(sC2H5-nspec)& + HCO_C2H3 * cqss(sC2H3-nspec)& + HCO_N * cqss(sN-nspec)& + HCO_NCO * cqss(sNCO-nspec)& + HCO_NH * cqss(sNH-nspec)& + HCO_NH2 * cqss(sNH2-nspec)& + HCO_HNCO * cqss(sHNCO-nspec)& + HCO_HNO * cqss(sHNO-nspec)& + HCO_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sCH-nspec) = ( CH_ct2 & + CH_HCO * cqss(sHCO-nspec)& + CH_C2H5 * cqss(sC2H5-nspec)& + CH_C2H3 * cqss(sC2H3-nspec)& + CH_N * cqss(sN-nspec)& + CH_NCO * cqss(sNCO-nspec)& + CH_NH * cqss(sNH-nspec)& + CH_NH2 * cqss(sNH2-nspec)& + CH_HNCO * cqss(sHNCO-nspec)& + CH_HNO * cqss(sHNO-nspec)& + CH_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sCH3O-nspec) = ( CH3O_ct2 & + CH3O_CH * cqss(sCH-nspec)& + CH3O_HCO * cqss(sHCO-nspec)& + CH3O_C2H5 * cqss(sC2H5-nspec)& + CH3O_C2H3 * cqss(sC2H3-nspec)& + CH3O_N * cqss(sN-nspec)& + CH3O_NCO * cqss(sNCO-nspec)& + CH3O_NH * cqss(sNH-nspec)& + CH3O_NH2 * cqss(sNH2-nspec)& + CH3O_HNCO * cqss(sHNCO-nspec)& + CH3O_HNO * cqss(sHNO-nspec)& + CH3O_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sHCCO-nspec) = ( HCCO_ct2 & + HCCO_CH3O * cqss(sCH3O-nspec)& + HCCO_CH * cqss(sCH-nspec)& + HCCO_HCO * cqss(sHCO-nspec)& + HCCO_C2H5 * cqss(sC2H5-nspec)& + HCCO_C2H3 * cqss(sC2H3-nspec)& + HCCO_N * cqss(sN-nspec)& + HCCO_NCO * cqss(sNCO-nspec)& + HCCO_NH * cqss(sNH-nspec)& + HCCO_NH2 * cqss(sNH2-nspec)& + HCCO_HNCO * cqss(sHNCO-nspec)& + HCCO_HNO * cqss(sHNO-nspec)& + HCCO_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sCH2-nspec) = ( CH2_ct2 & + CH2_HCCO * cqss(sHCCO-nspec)& + CH2_CH3O * cqss(sCH3O-nspec)& + CH2_CH * cqss(sCH-nspec)& + CH2_HCO * cqss(sHCO-nspec)& + CH2_C2H5 * cqss(sC2H5-nspec)& + CH2_C2H3 * cqss(sC2H3-nspec)& + CH2_N * cqss(sN-nspec)& + CH2_NCO * cqss(sNCO-nspec)& + CH2_NH * cqss(sNH-nspec)& + CH2_NH2 * cqss(sNH2-nspec)& + CH2_HNCO * cqss(sHNCO-nspec)& + CH2_HNO * cqss(sHNO-nspec)& + CH2_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sAXC3H5-nspec) = ( AXC3H5_ct2 & + AXC3H5_CH2 * cqss(sCH2-nspec)& + AXC3H5_HCCO * cqss(sHCCO-nspec)& + AXC3H5_CH3O * cqss(sCH3O-nspec)& + AXC3H5_CH * cqss(sCH-nspec)& + AXC3H5_HCO * cqss(sHCO-nspec)& + AXC3H5_C2H5 * cqss(sC2H5-nspec)& + AXC3H5_C2H3 * cqss(sC2H3-nspec)& + AXC3H5_N * cqss(sN-nspec)& + AXC3H5_NCO * cqss(sNCO-nspec)& + AXC3H5_NH * cqss(sNH-nspec)& + AXC3H5_NH2 * cqss(sNH2-nspec)& + AXC3H5_HNCO * cqss(sHNCO-nspec)& + AXC3H5_HNO * cqss(sHNO-nspec)& + AXC3H5_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sCH2DXCH2-nspec) = ( CH2DXCH2_ct2 & + CH2DXCH2_AXC3H5 * cqss(sAXC3H5-nspec)& + CH2DXCH2_CH2 * cqss(sCH2-nspec)& + CH2DXCH2_HCCO * cqss(sHCCO-nspec)& + CH2DXCH2_CH3O * cqss(sCH3O-nspec)& + CH2DXCH2_CH * cqss(sCH-nspec)& + CH2DXCH2_HCO * cqss(sHCO-nspec)& + CH2DXCH2_C2H5 * cqss(sC2H5-nspec)& + CH2DXCH2_C2H3 * cqss(sC2H3-nspec)& + CH2DXCH2_N * cqss(sN-nspec)& + CH2DXCH2_NCO * cqss(sNCO-nspec)& + CH2DXCH2_NH * cqss(sNH-nspec)& + CH2DXCH2_NH2 * cqss(sNH2-nspec)& + CH2DXCH2_HNCO * cqss(sHNCO-nspec)& + CH2DXCH2_HNO * cqss(sHNO-nspec)& + CH2DXCH2_CH2CHO * cqss(sCH2CHO-nspec) ) ! cqss(sH2O2) (uncoupled) -------------------- cqss(sH2O2-nspec) = ( 0.0_pr & + k(r5f) * c(sOH) * c(sOH) & + k(r20f) * c(sHO2) * c(sHO2) & + k(r21) * c(sHO2) * c(sHO2) & + k(r22b) * c(sH2) * c(sHO2) & + k(r24b) * c(sH2O) * c(sHO2) & + k(r26b) * c(sH2O) * c(sHO2) & + k(r60b) * c(sHO2) * c(sCH4) & + k(r93) * c(sCH2O) * c(sHO2) & + k(r150) * cqss(sC2H5-nspec) *c(sHO2) & + k(r152) * c(sHO2) * c(sC2H6) & + k(r185) * c(sC3H6) * c(sHO2) & + k(r214) * c(sC4H81XC4H8) * c(sHO2) & + k(r230) * c(sNXC12H26) * c(sHO2) & + k(r241) * c(sNXC12H26) * c(sHO2) & + k(r246) * c(sNXC12H26) * c(sHO2) & ) / ( tiny(1.0_pr) + ( & + k(r5b) & + k(r20b) * c(sO2) & + k(r22f) * c(sH) & + k(r23) * c(sO) & + k(r24f) * c(sOH) & + k(r25) * c(sH) & + k(r26f) * c(sOH) & + k(r60f) * c(sCH3) ) ) end subroutine get_QSS end module mC12H262745220TJ subroutine c12h262745220tj(P, T, Y, WDOT) use mC12H262745220TJ implicit none real(pr), dimension(nspec) :: Y,c,WDOT real(pr), dimension(nspec + nqss) :: H,dH,Cp real(pr), dimension(nqss) :: cqss real(pr), dimension(nreac) :: w,k real(pr), dimension(38) :: m real(pr), dimension(nspec) :: cclip real(pr) :: T,P integer kk CALL YtoC(c,P,T,Y) DO kk=1,nspec cclip(kk) = max(c(kk),1e-9_pr) ENDDO cclip(1:nspec) = c(1:nspec) 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) do kk=1,nqss if ( .NOT. (cqss(kk)==cqss(kk) )) THEN cqss(kk) = 0.0 end if end do CALL get_production_rates(WDOT,w) return end subroutine c12h262745220tj