!-------------------------------------------------------------------------------------------------- ! FILE NC12H26_25_373_27_TJ.f90 !> @file NC12H26_25_373_27_TJ.f90 !! @details File that contains the subroutine and module used to calculate !the source terms for !! dodecane analytical mechanism. !! @authors T. Jaravel !! @date 31/03/2017 !! @since V7.0.1 !! @note Reduction analytique avec YARC du schema JetSURF (Sirjean 2009). !! Issu d'un travail effectué par Thomas Jaravel dans le cadre d'une !étude PERICLES. !! Validite : 600 K / 10 Bar !! Phi : 0.6 - 1 - 2.4 !! SL(m/s) : 0.2 - 0.7 - 0.09 !-------------------------------------------------------------------------------------------------- module mC12H262537327TJ implicit none INTEGER, PARAMETER :: pr = selected_real_kind(15, 307) integer, parameter :: nspec = 25 integer, parameter :: nreac = 373 integer, parameter :: isc_T = 1 integer, parameter :: neq = nspec + 1 ! ! QSS variables ! ! Number of QSS species integer, parameter :: nqss = 27 ! ! 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 = 53 ! ! 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 :: sO = 2 integer, parameter :: sH = 3 integer, parameter :: sOH = 4 integer, parameter :: sH2 = 5 integer, parameter :: sH2O2 = 6 integer, parameter :: sH2O = 7 integer, parameter :: sO2 = 8 integer, parameter :: sHO2 = 9 integer, parameter :: sCO = 10 integer, parameter :: sCH2O = 11 integer, parameter :: sCH3 = 12 integer, parameter :: sCO2 = 13 integer, parameter :: sCH4 = 14 integer, parameter :: sC2H4 = 15 integer, parameter :: sC2H6 = 16 integer, parameter :: sCH2CO = 17 integer, parameter :: sC2H2 = 18 integer, parameter :: sC3H6 = 19 integer, parameter :: sC4H81XC4H8 = 20 integer, parameter :: sC4H6 = 21 integer, parameter :: sC6H6 = 22 integer, parameter :: sC5H10 = 23 integer, parameter :: sC6H12 = 24 integer, parameter :: sNXC12H26 = 25 integer, parameter :: sCH = 26 integer, parameter :: sCH2 = 27 integer, parameter :: sHCO = 28 integer, parameter :: sCH2DXCH2 = 29 integer, parameter :: sCH3O = 30 integer, parameter :: sC2H5 = 31 integer, parameter :: sC2H3 = 32 integer, parameter :: sHCCO = 33 integer, parameter :: sC2H = 34 integer, parameter :: sPXC3H4 = 35 integer, parameter :: sC3H3 = 36 integer, parameter :: sCH3CHCH = 37 integer, parameter :: sC4H2 = 38 integer, parameter :: sH2CC = 39 integer, parameter :: sC4H4 = 40 integer, parameter :: sCH2CHO = 41 integer, parameter :: sAXC3H5 = 42 integer, parameter :: sNXC3H7 = 43 integer, parameter :: sC2O = 44 integer, parameter :: sH2C4O = 45 integer, parameter :: sIXC4H5 = 46 integer, parameter :: sC4H5X2XC4H5 = 47 integer, parameter :: sC4H7 = 48 integer, parameter :: sOXXC6H4 = 49 integer, parameter :: sC6H5 = 50 integer, parameter :: sC6H5CH3 = 51 integer, parameter :: sC6H5CO = 52 ! ! Index of reactions integer, parameter :: r1 = 1 integer, parameter :: r2f = 2 integer, parameter :: r3f = 3 integer, parameter :: r4f = 4 integer, parameter :: r5f = 5 integer, parameter :: r6f = 6 integer, parameter :: r7f = 7 integer, parameter :: r8f = 8 integer, parameter :: r9f = 9 integer, parameter :: r10 = 10 integer, parameter :: r11 = 11 integer, parameter :: r12 = 12 integer, parameter :: r13 = 13 integer, parameter :: r14 = 14 integer, parameter :: r15f = 15 integer, parameter :: r16 = 16 integer, parameter :: r17 = 17 integer, parameter :: r18 = 18 integer, parameter :: r19f = 19 integer, parameter :: r20f = 20 integer, parameter :: r21 = 21 integer, parameter :: r22 = 22 integer, parameter :: r23 = 23 integer, parameter :: r24f = 24 integer, parameter :: r25 = 25 integer, parameter :: r26 = 26 integer, parameter :: r27 = 27 integer, parameter :: r28 = 28 integer, parameter :: r29 = 29 integer, parameter :: r30f = 30 integer, parameter :: r31 = 31 integer, parameter :: r32f = 32 integer, parameter :: r33 = 33 integer, parameter :: r34f = 34 integer, parameter :: r35 = 35 integer, parameter :: r36 = 36 integer, parameter :: r37f = 37 integer, parameter :: r38 = 38 integer, parameter :: r39 = 39 integer, parameter :: r40f = 40 integer, parameter :: r41 = 41 integer, parameter :: r42 = 42 integer, parameter :: r43 = 43 integer, parameter :: r44 = 44 integer, parameter :: r45f = 45 integer, parameter :: r46f = 46 integer, parameter :: r47f = 47 integer, parameter :: r48f = 48 integer, parameter :: r49 = 49 integer, parameter :: r50f = 50 integer, parameter :: r51 = 51 integer, parameter :: r52 = 52 integer, parameter :: r53 = 53 integer, parameter :: r54f = 54 integer, parameter :: r55 = 55 integer, parameter :: r56f = 56 integer, parameter :: r57f = 57 integer, parameter :: r58f = 58 integer, parameter :: r59f = 59 integer, parameter :: r60 = 60 integer, parameter :: r61 = 61 integer, parameter :: r62f = 62 integer, parameter :: r63f = 63 integer, parameter :: r64f = 64 integer, parameter :: r65f = 65 integer, parameter :: r66 = 66 integer, parameter :: r67f = 67 integer, parameter :: r68 = 68 integer, parameter :: r69 = 69 integer, parameter :: r70 = 70 integer, parameter :: r71 = 71 integer, parameter :: r72 = 72 integer, parameter :: r73 = 73 integer, parameter :: r74 = 74 integer, parameter :: r75 = 75 integer, parameter :: r76 = 76 integer, parameter :: r77 = 77 integer, parameter :: r78 = 78 integer, parameter :: r79 = 79 integer, parameter :: r80 = 80 integer, parameter :: r81 = 81 integer, parameter :: r82 = 82 integer, parameter :: r83 = 83 integer, parameter :: r84f = 84 integer, parameter :: r85f = 85 integer, parameter :: r86 = 86 integer, parameter :: r87 = 87 integer, parameter :: r88 = 88 integer, parameter :: r89f = 89 integer, parameter :: r90 = 90 integer, parameter :: r91 = 91 integer, parameter :: r92f = 92 integer, parameter :: r93 = 93 integer, parameter :: r94f = 94 integer, parameter :: r95f = 95 integer, parameter :: r96f = 96 integer, parameter :: r97 = 97 integer, parameter :: r98 = 98 integer, parameter :: r99f = 99 integer, parameter :: r100f = 100 integer, parameter :: r101f = 101 integer, parameter :: r102f = 102 integer, parameter :: r103 = 103 integer, parameter :: r104 = 104 integer, parameter :: r105 = 105 integer, parameter :: r106 = 106 integer, parameter :: r107 = 107 integer, parameter :: r108f = 108 integer, parameter :: r109 = 109 integer, parameter :: r110 = 110 integer, parameter :: r111f = 111 integer, parameter :: r112f = 112 integer, parameter :: r113 = 113 integer, parameter :: r114 = 114 integer, parameter :: r115 = 115 integer, parameter :: r116f = 116 integer, parameter :: r117f = 117 integer, parameter :: r119 = 118 integer, parameter :: r120 = 119 integer, parameter :: r121f = 120 integer, parameter :: r122f = 121 integer, parameter :: r123 = 122 integer, parameter :: r124f = 123 integer, parameter :: r125 = 124 integer, parameter :: r126f = 125 integer, parameter :: r127f = 126 integer, parameter :: r128f = 127 integer, parameter :: r129 = 128 integer, parameter :: r130 = 129 integer, parameter :: r131 = 130 integer, parameter :: r132f = 131 integer, parameter :: r133f = 132 integer, parameter :: r134 = 133 integer, parameter :: r135 = 134 integer, parameter :: r136f = 135 integer, parameter :: r137 = 136 integer, parameter :: r138 = 137 integer, parameter :: r139 = 138 integer, parameter :: r140 = 139 integer, parameter :: r141 = 140 integer, parameter :: r142f = 141 integer, parameter :: r143 = 142 integer, parameter :: r144 = 143 integer, parameter :: r145 = 144 integer, parameter :: r146 = 145 integer, parameter :: r147f = 146 integer, parameter :: r148 = 147 integer, parameter :: r149f = 148 integer, parameter :: r150 = 149 integer, parameter :: r152 = 150 integer, parameter :: r153 = 151 integer, parameter :: r155f = 152 integer, parameter :: r156f = 153 integer, parameter :: r157 = 154 integer, parameter :: r158f = 155 integer, parameter :: r159f = 156 integer, parameter :: r160f = 157 integer, parameter :: r161f = 158 integer, parameter :: r162 = 159 integer, parameter :: r163 = 160 integer, parameter :: r164 = 161 integer, parameter :: r165 = 162 integer, parameter :: r166 = 163 integer, parameter :: r167 = 164 integer, parameter :: r168f = 165 integer, parameter :: r169f = 166 integer, parameter :: r172 = 167 integer, parameter :: r173 = 168 integer, parameter :: r174 = 169 integer, parameter :: r175 = 170 integer, parameter :: r177 = 171 integer, parameter :: r178 = 172 integer, parameter :: r179 = 173 integer, parameter :: r180 = 174 integer, parameter :: r181 = 175 integer, parameter :: r183 = 176 integer, parameter :: r184 = 177 integer, parameter :: r185 = 178 integer, parameter :: r186 = 179 integer, parameter :: r187 = 180 integer, parameter :: r188 = 181 integer, parameter :: r189f = 182 integer, parameter :: r190f = 183 integer, parameter :: r191f = 184 integer, parameter :: r192 = 185 integer, parameter :: r194f = 186 integer, parameter :: r195 = 187 integer, parameter :: r196 = 188 integer, parameter :: r197f = 189 integer, parameter :: r198f = 190 integer, parameter :: r199 = 191 integer, parameter :: r200 = 192 integer, parameter :: r201 = 193 integer, parameter :: r202 = 194 integer, parameter :: r203 = 195 integer, parameter :: r204f = 196 integer, parameter :: r205f = 197 integer, parameter :: r206f = 198 integer, parameter :: r207 = 199 integer, parameter :: r208 = 200 integer, parameter :: r209 = 201 integer, parameter :: r210 = 202 integer, parameter :: r211 = 203 integer, parameter :: r212 = 204 integer, parameter :: r213 = 205 integer, parameter :: r214 = 206 integer, parameter :: r215 = 207 integer, parameter :: r216f = 208 integer, parameter :: r217 = 209 integer, parameter :: r218 = 210 integer, parameter :: r219 = 211 integer, parameter :: r220 = 212 integer, parameter :: r221 = 213 integer, parameter :: r222 = 214 integer, parameter :: r223 = 215 integer, parameter :: r224 = 216 integer, parameter :: r225f = 217 integer, parameter :: r226f = 218 integer, parameter :: r227 = 219 integer, parameter :: r228 = 220 integer, parameter :: r229f = 221 integer, parameter :: r230 = 222 integer, parameter :: r231f = 223 integer, parameter :: r232 = 224 integer, parameter :: r233 = 225 integer, parameter :: r234f = 226 integer, parameter :: r235 = 227 integer, parameter :: r236 = 228 integer, parameter :: r237 = 229 integer, parameter :: r238 = 230 integer, parameter :: r239f = 231 integer, parameter :: r240f = 232 integer, parameter :: r241f = 233 integer, parameter :: r242 = 234 integer, parameter :: r243 = 235 integer, parameter :: r244 = 236 integer, parameter :: r245 = 237 integer, parameter :: r246 = 238 integer, parameter :: r247 = 239 integer, parameter :: r248 = 240 integer, parameter :: r249 = 241 integer, parameter :: r250 = 242 integer, parameter :: r251 = 243 integer, parameter :: r252 = 244 integer, parameter :: r253 = 245 integer, parameter :: r254 = 246 integer, parameter :: r255 = 247 integer, parameter :: r256f = 248 integer, parameter :: r257f = 249 integer, parameter :: r258f = 250 integer, parameter :: r259 = 251 integer, parameter :: r260 = 252 integer, parameter :: r261f = 253 integer, parameter :: r262 = 254 integer, parameter :: r263 = 255 integer, parameter :: r264 = 256 integer, parameter :: r265 = 257 integer, parameter :: r266f = 258 integer, parameter :: r267f = 259 integer, parameter :: r268 = 260 integer, parameter :: r269 = 261 integer, parameter :: r270 = 262 integer, parameter :: r271 = 263 integer, parameter :: r272 = 264 integer, parameter :: r273 = 265 integer, parameter :: r274 = 266 integer, parameter :: r275 = 267 integer, parameter :: r276 = 268 integer, parameter :: r277 = 269 integer, parameter :: r278 = 270 integer, parameter :: r279 = 271 integer, parameter :: r280 = 272 integer, parameter :: r281 = 273 integer, parameter :: r282 = 274 integer, parameter :: r283 = 275 integer, parameter :: r284 = 276 integer, parameter :: r285 = 277 integer, parameter :: r286 = 278 integer, parameter :: r287 = 279 integer, parameter :: r288f = 280 integer, parameter :: r2b = 281 integer, parameter :: r3b = 282 integer, parameter :: r4b = 283 integer, parameter :: r5b = 284 integer, parameter :: r6b = 285 integer, parameter :: r7b = 286 integer, parameter :: r8b = 287 integer, parameter :: r9b = 288 integer, parameter :: r15b = 289 integer, parameter :: r19b = 290 integer, parameter :: r20b = 291 integer, parameter :: r24b = 292 integer, parameter :: r30b = 293 integer, parameter :: r32b = 294 integer, parameter :: r34b = 295 integer, parameter :: r37b = 296 integer, parameter :: r40b = 297 integer, parameter :: r45b = 298 integer, parameter :: r46b = 299 integer, parameter :: r47b = 300 integer, parameter :: r48b = 301 integer, parameter :: r50b = 302 integer, parameter :: r54b = 303 integer, parameter :: r56b = 304 integer, parameter :: r57b = 305 integer, parameter :: r58b = 306 integer, parameter :: r59b = 307 integer, parameter :: r62b = 308 integer, parameter :: r63b = 309 integer, parameter :: r64b = 310 integer, parameter :: r65b = 311 integer, parameter :: r67b = 312 integer, parameter :: r84b = 313 integer, parameter :: r85b = 314 integer, parameter :: r89b = 315 integer, parameter :: r92b = 316 integer, parameter :: r94b = 317 integer, parameter :: r95b = 318 integer, parameter :: r96b = 319 integer, parameter :: r99b = 320 integer, parameter :: r100b = 321 integer, parameter :: r101b = 322 integer, parameter :: r102b = 323 integer, parameter :: r108b = 324 integer, parameter :: r111b = 325 integer, parameter :: r112b = 326 integer, parameter :: r116b = 327 integer, parameter :: r117b = 328 integer, parameter :: r121b = 329 integer, parameter :: r122b = 330 integer, parameter :: r124b = 331 integer, parameter :: r126b = 332 integer, parameter :: r127b = 333 integer, parameter :: r128b = 334 integer, parameter :: r132b = 335 integer, parameter :: r133b = 336 integer, parameter :: r136b = 337 integer, parameter :: r142b = 338 integer, parameter :: r147b = 339 integer, parameter :: r149b = 340 integer, parameter :: r155b = 341 integer, parameter :: r156b = 342 integer, parameter :: r158b = 343 integer, parameter :: r159b = 344 integer, parameter :: r160b = 345 integer, parameter :: r161b = 346 integer, parameter :: r168b = 347 integer, parameter :: r169b = 348 integer, parameter :: r189b = 349 integer, parameter :: r190b = 350 integer, parameter :: r191b = 351 integer, parameter :: r194b = 352 integer, parameter :: r197b = 353 integer, parameter :: r198b = 354 integer, parameter :: r204b = 355 integer, parameter :: r205b = 356 integer, parameter :: r206b = 357 integer, parameter :: r216b = 358 integer, parameter :: r225b = 359 integer, parameter :: r226b = 360 integer, parameter :: r229b = 361 integer, parameter :: r231b = 362 integer, parameter :: r234b = 363 integer, parameter :: r239b = 364 integer, parameter :: r240b = 365 integer, parameter :: r241b = 366 integer, parameter :: r256b = 367 integer, parameter :: r257b = 368 integer, parameter :: r258b = 369 integer, parameter :: r261b = 370 integer, parameter :: r266b = 371 integer, parameter :: r267b = 372 integer, parameter :: r288b = 373 ! ! Index of third bodies integer, parameter :: mM13 = 1 integer, parameter :: mM16 = 2 integer, parameter :: mM66 = 3 integer, parameter :: mM28 = 4 integer, parameter :: mM41 = 5 integer, parameter :: mM35 = 6 integer, parameter :: mM8 = 7 integer, parameter :: mM7 = 8 integer, parameter :: mM17 = 9 integer, parameter :: mM3 = 10 integer, parameter :: mM27 = 11 integer, parameter :: mM6 = 12 integer, parameter :: mM19 = 13 integer, parameter :: mM36 = 14 integer, parameter :: mM23 = 15 integer, parameter :: mM65 = 16 integer, parameter :: mM37 = 17 integer, parameter :: mM5 = 18 integer, parameter :: mM29 = 19 integer, parameter :: mM30 = 20 integer, parameter :: mM24 = 21 integer, parameter :: mM47 = 22 integer, parameter :: mM10 = 23 integer, parameter :: mM2 = 24 integer, parameter :: mM42 = 25 integer, parameter :: mM43 = 26 contains ! ! Name of mechanism ! ! subroutine which_mechanism ! ! use parallel ! !implicit none ! ! if (irank.eq.iroot) print*, 'Using mechanism decoupled.mech' ! ! return ! ! end subroutine which_mechanism ! ! Subroutine to define groups for post-processing subroutine pp_data implicit none ! ! Number of species in each group ppn(1) = 1 ppn(2) = 1 ppn(3) = 1 ppn(4) = 1 ppn(5) = 1 ppn(6) = 1 ppn(7) = 1 ppn(8) = 1 ppn(9) = 1 ppn(10) = 1 ppn(11) = 1 ppn(12) = 1 ppn(13) = 1 ppn(14) = 1 ppn(15) = 1 ppn(16) = 1 ppn(17) = 1 ppn(18) = 1 ppn(19) = 1 ppn(20) = 1 ppn(21) = 1 ppn(22) = 1 ppn(23) = 1 ppn(24) = 1 ppn(25) = 1 ppn(26) = 1 ppn(27) = 1 ppn(28) = 1 ppn(29) = 1 ppn(30) = 1 ppn(31) = 1 ppn(32) = 1 ppn(33) = 1 ppn(34) = 1 ppn(35) = 1 ppn(36) = 1 ppn(37) = 1 ppn(38) = 1 ppn(39) = 1 ppn(40) = 1 ppn(41) = 1 ppn(42) = 1 ppn(43) = 1 ppn(44) = 1 ppn(45) = 1 ppn(46) = 1 ppn(47) = 1 ppn(48) = 1 ppn(49) = 1 ppn(50) = 1 ppn(51) = 1 ppn(52) = 1 ppn(53) = 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) = 48 pp(49, 1) = 49 pp(50, 1) = 50 pp(51, 1) = 51 pp(52, 1) = 52 pp(53, 1) = 1 ! ! Name of group of species ppname(1) = trim(gname(sN2)) ppname(2) = trim(gname(sO)) ppname(3) = trim(gname(sH)) ppname(4) = trim(gname(sOH)) ppname(5) = trim(gname(sH2)) ppname(6) = trim(gname(sH2O2)) ppname(7) = trim(gname(sH2O)) ppname(8) = trim(gname(sO2)) ppname(9) = trim(gname(sHO2)) ppname(10) = trim(gname(sCH)) ppname(11) = trim(gname(sCO)) ppname(12) = trim(gname(sCH2O)) ppname(13) = trim(gname(sCH2)) ppname(14) = trim(gname(sHCO)) ppname(15) = trim(gname(sCH3)) ppname(16) = trim(gname(sCO2)) ppname(17) = trim(gname(sCH2DXCH2)) ppname(18) = trim(gname(sCH4)) ppname(19) = trim(gname(sC2H4)) ppname(20) = trim(gname(sCH3O)) ppname(21) = trim(gname(sC2H6)) ppname(22) = trim(gname(sC2H5)) ppname(23) = trim(gname(sC2H3)) ppname(24) = trim(gname(sCH2CO)) ppname(25) = trim(gname(sHCCO)) ppname(26) = trim(gname(sC2H)) ppname(27) = trim(gname(sC2H2)) ppname(28) = trim(gname(sPXC3H4)) ppname(29) = trim(gname(sC3H3)) ppname(30) = trim(gname(sCH3CHCH)) ppname(31) = trim(gname(sC4H2)) ppname(32) = trim(gname(sH2CC)) ppname(33) = trim(gname(sC4H4)) ppname(34) = trim(gname(sCH2CHO)) ppname(35) = trim(gname(sAXC3H5)) ppname(36) = trim(gname(sC3H6)) ppname(37) = trim(gname(sNXC3H7)) ppname(38) = trim(gname(sC2O)) ppname(39) = trim(gname(sC4H81XC4H8)) ppname(40) = trim(gname(sH2C4O)) ppname(41) = trim(gname(sIXC4H5)) ppname(42) = trim(gname(sC4H6)) ppname(43) = trim(gname(sC4H5X2XC4H5)) ppname(44) = trim(gname(sC6H6)) ppname(45) = trim(gname(sC4H7)) ppname(46) = trim(gname(sC5H10)) ppname(47) = trim(gname(sOXXC6H4)) ppname(48) = trim(gname(sC6H5)) ppname(49) = trim(gname(sC6H5CH3)) ppname(50) = trim(gname(sC6H12)) ppname(51) = trim(gname(sC6H5CO)) ppname(52) = trim(gname(sNXC12H26)) ppname(53) = 'N2X' end subroutine pp_data ! ! Molar mass subroutine molar_mass implicit none W_sp(sN2) = 0.02801348_pr W_sp(sO) = 0.0159994_pr W_sp(sH) = 0.00100794_pr W_sp(sOH) = 0.01700734_pr W_sp(sH2) = 0.00201588_pr W_sp(sH2O2) = 0.03401468_pr W_sp(sH2O) = 0.01801528_pr W_sp(sO2) = 0.0319988_pr W_sp(sHO2) = 0.03300674_pr W_sp(sCH) = 0.01301894_pr W_sp(sCO) = 0.0280104_pr W_sp(sCH2O) = 0.03002628_pr W_sp(sCH2) = 0.01402688_pr W_sp(sHCO) = 0.02901834_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(sC2H4) = 0.02805376_pr W_sp(sCH3O) = 0.03103422_pr W_sp(sC2H6) = 0.03006964_pr W_sp(sC2H5) = 0.0290617_pr W_sp(sC2H3) = 0.02704582_pr W_sp(sCH2CO) = 0.04203728_pr W_sp(sHCCO) = 0.04102934_pr W_sp(sC2H) = 0.02502994_pr W_sp(sC2H2) = 0.02603788_pr W_sp(sPXC3H4) = 0.04006476_pr W_sp(sC3H3) = 0.03905682_pr W_sp(sCH3CHCH) = 0.0410727_pr W_sp(sC4H2) = 0.05005988_pr W_sp(sH2CC) = 0.02603788_pr W_sp(sC4H4) = 0.05207576_pr W_sp(sCH2CHO) = 0.04304522_pr W_sp(sAXC3H5) = 0.0410727_pr W_sp(sC3H6) = 0.04208064_pr W_sp(sNXC3H7) = 0.04308858_pr W_sp(sC2O) = 0.0400214_pr W_sp(sC4H81XC4H8) = 0.05610752_pr W_sp(sH2C4O) = 0.06605928_pr W_sp(sIXC4H5) = 0.0530837_pr W_sp(sC4H6) = 0.05409164_pr W_sp(sC4H5X2XC4H5) = 0.0530837_pr W_sp(sC6H6) = 0.07811364_pr W_sp(sC4H7) = 0.05509958_pr W_sp(sC5H10) = 0.0701344_pr W_sp(sOXXC6H4) = 0.07609776_pr W_sp(sC6H5) = 0.0771057_pr W_sp(sC6H5CH3) = 0.09214052_pr W_sp(sC6H12) = 0.08416128_pr W_sp(sC6H5CO) = 0.1051161_pr W_sp(sNXC12H26) = 0.17033844_pr end subroutine molar_mass ! ! Species names subroutine species_name implicit none gname(sN2) = 'N2' gname(sO) = 'O' gname(sH) = 'H' gname(sOH) = 'OH' gname(sH2) = 'H2' gname(sH2O2) = 'H2O2' gname(sH2O) = 'H2O' gname(sO2) = 'O2' gname(sHO2) = 'HO2' gname(sCH) = 'CH' gname(sCO) = 'CO' gname(sCH2O) = 'CH2O' gname(sCH2) = 'CH2' gname(sHCO) = 'HCO' gname(sCH3) = 'CH3' gname(sCO2) = 'CO2' gname(sCH2DXCH2) = 'CH2D-CH2' gname(sCH4) = 'CH4' gname(sC2H4) = 'C2H4' gname(sCH3O) = 'CH3O' gname(sC2H6) = 'C2H6' gname(sC2H5) = 'C2H5' gname(sC2H3) = 'C2H3' gname(sCH2CO) = 'CH2CO' gname(sHCCO) = 'HCCO' gname(sC2H) = 'C2H' gname(sC2H2) = 'C2H2' gname(sPXC3H4) = 'P-C3H4' gname(sC3H3) = 'C3H3' gname(sCH3CHCH) = 'CH3CHCH' gname(sC4H2) = 'C4H2' gname(sH2CC) = 'H2CC' gname(sC4H4) = 'C4H4' gname(sCH2CHO) = 'CH2CHO' gname(sAXC3H5) = 'A-C3H5' gname(sC3H6) = 'C3H6' gname(sNXC3H7) = 'N-C3H7' gname(sC2O) = 'C2O' gname(sC4H81XC4H8) = 'C4H81-C4H8' gname(sH2C4O) = 'H2C4O' gname(sIXC4H5) = 'I-C4H5' gname(sC4H6) = 'C4H6' gname(sC4H5X2XC4H5) = 'C4H5-2-C4H5' gname(sC6H6) = 'C6H6' gname(sC4H7) = 'C4H7' gname(sC5H10) = 'C5H10' gname(sOXXC6H4) = 'O--C6H4' gname(sC6H5) = 'C6H5' gname(sC6H5CH3) = 'C6H5CH3' gname(sC6H12) = 'C6H12' gname(sC6H5CO) = 'C6H5CO' gname(sNXC12H26) = 'N-C12H26' end subroutine species_name ! ! Reaction names subroutine reaction_name implicit none rname(r1) = '1' rname(r2f) = '2f' rname(r3f) = '3f' rname(r4f) = '4f' rname(r5f) = '5f' rname(r6f) = '6f' rname(r7f) = '7f' rname(r8f) = '8f' rname(r9f) = '9f' rname(r10) = '10' rname(r11) = '11' rname(r12) = '12' rname(r13) = '13' rname(r14) = '14' rname(r15f) = '15f' rname(r16) = '16' rname(r17) = '17' rname(r18) = '18' rname(r19f) = '19f' rname(r20f) = '20f' rname(r21) = '21' rname(r22) = '22' rname(r23) = '23' rname(r24f) = '24f' rname(r25) = '25' rname(r26) = '26' rname(r27) = '27' rname(r28) = '28' rname(r29) = '29' rname(r30f) = '30f' rname(r31) = '31' rname(r32f) = '32f' rname(r33) = '33' rname(r34f) = '34f' rname(r35) = '35' rname(r36) = '36' rname(r37f) = '37f' rname(r38) = '38' rname(r39) = '39' rname(r40f) = '40f' rname(r41) = '41' rname(r42) = '42' rname(r43) = '43' rname(r44) = '44' rname(r45f) = '45f' rname(r46f) = '46f' rname(r47f) = '47f' rname(r48f) = '48f' rname(r49) = '49' rname(r50f) = '50f' rname(r51) = '51' rname(r52) = '52' rname(r53) = '53' rname(r54f) = '54f' rname(r55) = '55' rname(r56f) = '56f' rname(r57f) = '57f' rname(r58f) = '58f' rname(r59f) = '59f' rname(r60) = '60' rname(r61) = '61' rname(r62f) = '62f' rname(r63f) = '63f' rname(r64f) = '64f' rname(r65f) = '65f' rname(r66) = '66' rname(r67f) = '67f' rname(r68) = '68' rname(r69) = '69' rname(r70) = '70' rname(r71) = '71' rname(r72) = '72' rname(r73) = '73' rname(r74) = '74' rname(r75) = '75' rname(r76) = '76' rname(r77) = '77' rname(r78) = '78' rname(r79) = '79' rname(r80) = '80' rname(r81) = '81' rname(r82) = '82' rname(r83) = '83' rname(r84f) = '84f' rname(r85f) = '85f' rname(r86) = '86' rname(r87) = '87' rname(r88) = '88' rname(r89f) = '89f' rname(r90) = '90' rname(r91) = '91' rname(r92f) = '92f' rname(r93) = '93' rname(r94f) = '94f' rname(r95f) = '95f' rname(r96f) = '96f' rname(r97) = '97' rname(r98) = '98' rname(r99f) = '99f' rname(r100f) = '100f' rname(r101f) = '101f' rname(r102f) = '102f' rname(r103) = '103' rname(r104) = '104' rname(r105) = '105' rname(r106) = '106' rname(r107) = '107' rname(r108f) = '108f' rname(r109) = '109' rname(r110) = '110' rname(r111f) = '111f' rname(r112f) = '112f' rname(r113) = '113' rname(r114) = '114' rname(r115) = '115' rname(r116f) = '116f' rname(r117f) = '117f' rname(r119) = '119' rname(r120) = '120' rname(r121f) = '121f' rname(r122f) = '122f' rname(r123) = '123' rname(r124f) = '124f' rname(r125) = '125' rname(r126f) = '126f' rname(r127f) = '127f' rname(r128f) = '128f' rname(r129) = '129' rname(r130) = '130' rname(r131) = '131' rname(r132f) = '132f' rname(r133f) = '133f' rname(r134) = '134' rname(r135) = '135' rname(r136f) = '136f' rname(r137) = '137' rname(r138) = '138' rname(r139) = '139' rname(r140) = '140' rname(r141) = '141' rname(r142f) = '142f' rname(r143) = '143' rname(r144) = '144' rname(r145) = '145' rname(r146) = '146' rname(r147f) = '147f' rname(r148) = '148' rname(r149f) = '149f' rname(r150) = '150' rname(r152) = '152' rname(r153) = '153' rname(r155f) = '155f' rname(r156f) = '156f' rname(r157) = '157' rname(r158f) = '158f' rname(r159f) = '159f' rname(r160f) = '160f' rname(r161f) = '161f' rname(r162) = '162' rname(r163) = '163' rname(r164) = '164' rname(r165) = '165' rname(r166) = '166' rname(r167) = '167' rname(r168f) = '168f' rname(r169f) = '169f' rname(r172) = '172' rname(r173) = '173' rname(r174) = '174' rname(r175) = '175' rname(r177) = '177' rname(r178) = '178' rname(r179) = '179' rname(r180) = '180' rname(r181) = '181' rname(r183) = '183' rname(r184) = '184' rname(r185) = '185' rname(r186) = '186' rname(r187) = '187' rname(r188) = '188' rname(r189f) = '189f' rname(r190f) = '190f' rname(r191f) = '191f' rname(r192) = '192' rname(r194f) = '194f' rname(r195) = '195' rname(r196) = '196' rname(r197f) = '197f' rname(r198f) = '198f' rname(r199) = '199' rname(r200) = '200' rname(r201) = '201' rname(r202) = '202' rname(r203) = '203' rname(r204f) = '204f' rname(r205f) = '205f' rname(r206f) = '206f' rname(r207) = '207' rname(r208) = '208' rname(r209) = '209' rname(r210) = '210' rname(r211) = '211' rname(r212) = '212' rname(r213) = '213' rname(r214) = '214' rname(r215) = '215' rname(r216f) = '216f' rname(r217) = '217' rname(r218) = '218' rname(r219) = '219' rname(r220) = '220' rname(r221) = '221' rname(r222) = '222' rname(r223) = '223' rname(r224) = '224' rname(r225f) = '225f' rname(r226f) = '226f' rname(r227) = '227' rname(r228) = '228' rname(r229f) = '229f' rname(r230) = '230' rname(r231f) = '231f' rname(r232) = '232' rname(r233) = '233' rname(r234f) = '234f' rname(r235) = '235' rname(r236) = '236' rname(r237) = '237' rname(r238) = '238' rname(r239f) = '239f' rname(r240f) = '240f' rname(r241f) = '241f' rname(r242) = '242' rname(r243) = '243' rname(r244) = '244' rname(r245) = '245' rname(r246) = '246' rname(r247) = '247' rname(r248) = '248' rname(r249) = '249' rname(r250) = '250' rname(r251) = '251' rname(r252) = '252' rname(r253) = '253' rname(r254) = '254' rname(r255) = '255' rname(r256f) = '256f' rname(r257f) = '257f' rname(r258f) = '258f' rname(r259) = '259' rname(r260) = '260' rname(r261f) = '261f' rname(r262) = '262' rname(r263) = '263' rname(r264) = '264' rname(r265) = '265' rname(r266f) = '266f' rname(r267f) = '267f' rname(r268) = '268' rname(r269) = '269' rname(r270) = '270' rname(r271) = '271' rname(r272) = '272' rname(r273) = '273' rname(r274) = '274' rname(r275) = '275' rname(r276) = '276' rname(r277) = '277' rname(r278) = '278' rname(r279) = '279' rname(r280) = '280' rname(r281) = '281' rname(r282) = '282' rname(r283) = '283' rname(r284) = '284' rname(r285) = '285' rname(r286) = '286' rname(r287) = '287' rname(r288f) = '288f' rname(r2b) = '2b' rname(r3b) = '3b' rname(r4b) = '4b' rname(r5b) = '5b' rname(r6b) = '6b' rname(r7b) = '7b' rname(r8b) = '8b' rname(r9b) = '9b' rname(r15b) = '15b' rname(r19b) = '19b' rname(r20b) = '20b' rname(r24b) = '24b' rname(r30b) = '30b' rname(r32b) = '32b' rname(r34b) = '34b' rname(r37b) = '37b' rname(r40b) = '40b' rname(r45b) = '45b' rname(r46b) = '46b' rname(r47b) = '47b' rname(r48b) = '48b' rname(r50b) = '50b' rname(r54b) = '54b' rname(r56b) = '56b' rname(r57b) = '57b' rname(r58b) = '58b' rname(r59b) = '59b' rname(r62b) = '62b' rname(r63b) = '63b' rname(r64b) = '64b' rname(r65b) = '65b' rname(r67b) = '67b' rname(r84b) = '84b' rname(r85b) = '85b' rname(r89b) = '89b' rname(r92b) = '92b' rname(r94b) = '94b' rname(r95b) = '95b' rname(r96b) = '96b' rname(r99b) = '99b' rname(r100b) = '100b' rname(r101b) = '101b' rname(r102b) = '102b' rname(r108b) = '108b' rname(r111b) = '111b' rname(r112b) = '112b' rname(r116b) = '116b' rname(r117b) = '117b' rname(r121b) = '121b' rname(r122b) = '122b' rname(r124b) = '124b' rname(r126b) = '126b' rname(r127b) = '127b' rname(r128b) = '128b' rname(r132b) = '132b' rname(r133b) = '133b' rname(r136b) = '136b' rname(r142b) = '142b' rname(r147b) = '147b' rname(r149b) = '149b' rname(r155b) = '155b' rname(r156b) = '156b' rname(r158b) = '158b' rname(r159b) = '159b' rname(r160b) = '160b' rname(r161b) = '161b' rname(r168b) = '168b' rname(r169b) = '169b' rname(r189b) = '189b' rname(r190b) = '190b' rname(r191b) = '191b' rname(r194b) = '194b' rname(r197b) = '197b' rname(r198b) = '198b' rname(r204b) = '204b' rname(r205b) = '205b' rname(r206b) = '206b' rname(r216b) = '216b' rname(r225b) = '225b' rname(r226b) = '226b' rname(r229b) = '229b' rname(r231b) = '231b' rname(r234b) = '234b' rname(r239b) = '239b' rname(r240b) = '240b' rname(r241b) = '241b' rname(r256b) = '256b' rname(r257b) = '257b' rname(r258b) = '258b' rname(r261b) = '261b' rname(r266b) = '266b' rname(r267b) = '267b' rname(r288b) = '288b' end subroutine reaction_name ! ! List of QSS species subroutine QSS_list implicit none iqss(sN2) = 0 iqss(sO) = 0 iqss(sH) = 0 iqss(sOH) = 0 iqss(sH2) = 0 iqss(sH2O2) = 0 iqss(sH2O) = 0 iqss(sO2) = 0 iqss(sHO2) = 0 iqss(sCH) = 1 iqss(sCO) = 0 iqss(sCH2O) = 0 iqss(sCH2) = 1 iqss(sHCO) = 1 iqss(sCH3) = 0 iqss(sCO2) = 0 iqss(sCH2DXCH2) = 1 iqss(sCH4) = 0 iqss(sC2H4) = 0 iqss(sCH3O) = 1 iqss(sC2H6) = 0 iqss(sC2H5) = 1 iqss(sC2H3) = 1 iqss(sCH2CO) = 0 iqss(sHCCO) = 1 iqss(sC2H) = 1 iqss(sC2H2) = 0 iqss(sPXC3H4) = 1 iqss(sC3H3) = 1 iqss(sCH3CHCH) = 1 iqss(sC4H2) = 1 iqss(sH2CC) = 1 iqss(sC4H4) = 1 iqss(sCH2CHO) = 1 iqss(sAXC3H5) = 1 iqss(sC3H6) = 0 iqss(sNXC3H7) = 1 iqss(sC2O) = 1 iqss(sC4H81XC4H8) = 0 iqss(sH2C4O) = 1 iqss(sIXC4H5) = 1 iqss(sC4H6) = 0 iqss(sC4H5X2XC4H5) = 1 iqss(sC6H6) = 0 iqss(sC4H7) = 1 iqss(sC5H10) = 0 iqss(sOXXC6H4) = 1 iqss(sC6H5) = 1 iqss(sC6H5CH3) = 1 iqss(sC6H12) = 0 iqss(sC6H5CO) = 1 iqss(sNXC12H26) = 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(sO) = Y(sO) / W_sp(sO) c(sH) = Y(sH) / W_sp(sH) c(sOH) = Y(sOH) / W_sp(sOH) c(sH2) = Y(sH2) / W_sp(sH2) c(sH2O2) = Y(sH2O2) / W_sp(sH2O2) c(sH2O) = Y(sH2O) / W_sp(sH2O) c(sO2) = Y(sO2) / W_sp(sO2) c(sHO2) = Y(sHO2) / W_sp(sHO2) ! !c(sCH) = Y(sCH) / W_sp(sCH) c(sCO) = Y(sCO) / W_sp(sCO) c(sCH2O) = Y(sCH2O) / W_sp(sCH2O) ! !c(sCH2) = Y(sCH2) / W_sp(sCH2) ! !c(sHCO) = Y(sHCO) / W_sp(sHCO) 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(sC2H4) = Y(sC2H4) / W_sp(sC2H4) ! !c(sCH3O) = Y(sCH3O) / W_sp(sCH3O) c(sC2H6) = Y(sC2H6) / W_sp(sC2H6) ! !c(sC2H5) = Y(sC2H5) / W_sp(sC2H5) ! !c(sC2H3) = Y(sC2H3) / W_sp(sC2H3) c(sCH2CO) = Y(sCH2CO) / W_sp(sCH2CO) ! !c(sHCCO) = Y(sHCCO) / W_sp(sHCCO) ! !c(sC2H) = Y(sC2H) / W_sp(sC2H) c(sC2H2) = Y(sC2H2) / W_sp(sC2H2) ! !c(sPXC3H4) = Y(sPXC3H4) / W_sp(sPXC3H4) ! !c(sC3H3) = Y(sC3H3) / W_sp(sC3H3) ! !c(sCH3CHCH) = Y(sCH3CHCH) / W_sp(sCH3CHCH) ! !c(sC4H2) = Y(sC4H2) / W_sp(sC4H2) ! !c(sH2CC) = Y(sH2CC) / W_sp(sH2CC) ! !c(sC4H4) = Y(sC4H4) / W_sp(sC4H4) ! !c(sCH2CHO) = Y(sCH2CHO) / W_sp(sCH2CHO) ! !c(sAXC3H5) = Y(sAXC3H5) / W_sp(sAXC3H5) c(sC3H6) = Y(sC3H6) / W_sp(sC3H6) ! !c(sNXC3H7) = Y(sNXC3H7) / W_sp(sNXC3H7) ! !c(sC2O) = Y(sC2O) / W_sp(sC2O) c(sC4H81XC4H8) = Y(sC4H81XC4H8) / W_sp(sC4H81XC4H8) ! !c(sH2C4O) = Y(sH2C4O) / W_sp(sH2C4O) ! !c(sIXC4H5) = Y(sIXC4H5) / W_sp(sIXC4H5) c(sC4H6) = Y(sC4H6) / W_sp(sC4H6) ! !c(sC4H5X2XC4H5) = Y(sC4H5X2XC4H5) / W_sp(sC4H5X2XC4H5) c(sC6H6) = Y(sC6H6) / W_sp(sC6H6) ! !c(sC4H7) = Y(sC4H7) / W_sp(sC4H7) c(sC5H10) = Y(sC5H10) / W_sp(sC5H10) ! !c(sOXXC6H4) = Y(sOXXC6H4) / W_sp(sOXXC6H4) ! !c(sC6H5) = Y(sC6H5) / W_sp(sC6H5) ! !c(sC6H5CH3) = Y(sC6H5CH3) / W_sp(sC6H5CH3) c(sC6H12) = Y(sC6H12) / W_sp(sC6H12) ! !c(sC6H5CO) = Y(sC6H5CO) / W_sp(sC6H5CO) c(sNXC12H26) = Y(sNXC12H26) / W_sp(sNXC12H26) 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 ! c(K) = max(c(K),0.0_pr) * bla ENDDO ! DO K=1,nspec ! c(K) = max(c(K),1e-9_pr) ! 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(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(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(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(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(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(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(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(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(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(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(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(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(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(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(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(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(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(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(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(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(sPXC3H4) = 207.525568604429 * (T * ((6.02524000e+00_pr) & + T * ((0.005668271_pr) & + T * ((-1.3407797e-06_pr) & + T * ((1.609401575e-10_pr) & + T * ((-7.659927e-15_pr)))))) + (1.96209420e+04_pr)) Cp(sPXC3H4) = 207.525568604429 * ((6.02524000e+00_pr) & + T * ((1.13365420e-02_pr) & + T * ((-4.02233910e-06_pr) & + T * ((6.43760630e-10_pr) & + T * (-3.82996350e-14_pr))))) dH(sPXC3H4) = 207.525568604429 * ((6.02524000e+00_pr) & + T * ((1.13365420e-02_pr) & + T * ((-4.02233910e-06_pr) & + T * ((6.43760630e-10_pr) & + T * ((-3.82996350e-14_pr)))))) H(sC3H3) = 212.881184387259 * (T * ((7.14221880e+00_pr) & + T * ((0.003809510025_pr) & + T * ((-8.91533166666667e-07_pr) & + T * ((1.0622870025e-10_pr) & + T * ((-5.0295083e-15_pr)))))) + (3.89087427e+04_pr)) Cp(sC3H3) = 212.881184387259 * ((7.14221880e+00_pr) & + T * ((7.61902005e-03_pr) & + T * ((-2.67459950e-06_pr) & + T * ((4.24914801e-10_pr) & + T * (-2.51475415e-14_pr))))) dH(sC3H3) = 212.881184387259 * ((7.14221880e+00_pr) & + T * ((7.61902005e-03_pr) & + T * ((-2.67459950e-06_pr) & + T * ((4.24914801e-10_pr) & + T * ((-2.51475415e-14_pr)))))) H(sCH3CHCH) = 202.432810601689 * (T * ((5.37252810e+00_pr) & + T * ((0.0078902545_pr) & + T * ((-1.99742833333333e-06_pr) & + T * ((2.3272416e-10_pr) & + T * ((-7.3101932e-15_pr)))))) + (2.96147600e+04_pr)) Cp(sCH3CHCH) = 202.432810601689 * ((5.37252810e+00_pr) & + T * ((1.57805090e-02_pr) & + T * ((-5.99228500e-06_pr) & + T * ((9.30896640e-10_pr) & + T * (-3.65509660e-14_pr))))) dH(sCH3CHCH) = 202.432810601689 * ((5.37252810e+00_pr) & + T * ((1.57805090e-02_pr) & + T * ((-5.99228500e-06_pr) & + T * ((9.30896640e-10_pr) & + T * ((-3.65509660e-14_pr)))))) H(sC4H2) = 166.090332218136 * (T * ((9.15763280e+00_pr) & + T * ((0.0027715259_pr) & + T * ((-4.53053466666667e-07_pr) & + T * ((4.69501875e-12_pr) & + T * ((4.6379072e-15_pr)))))) + (5.25880390e+04_pr)) Cp(sC4H2) = 166.090332218136 * ((9.15763280e+00_pr) & + T * ((5.54305180e-03_pr) & + T * ((-1.35916040e-06_pr) & + T * ((1.87800750e-11_pr) & + T * (2.31895360e-14_pr))))) dH(sC4H2) = 166.090332218136 * ((9.15763280e+00_pr) & + T * ((5.54305180e-03_pr) & + T * ((-1.35916040e-06_pr) & + T * ((1.87800750e-11_pr) & + T * ((2.31895360e-14_pr)))))) H(sH2CC) = 319.321776580889 * (T * ((4.27803400e+00_pr) & + T * ((0.0023781402_pr) & + T * ((-5.43366966666667e-07_pr) & + T * ((6.3657015e-11_pr) & + T * ((-2.9772758e-15_pr)))))) + (4.83166880e+04_pr)) Cp(sH2CC) = 319.321776580889 * ((4.27803400e+00_pr) & + T * ((4.75628040e-03_pr) & + T * ((-1.63010090e-06_pr) & + T * ((2.54628060e-10_pr) & + T * (-1.48863790e-14_pr))))) dH(sH2CC) = 319.321776580889 * ((4.27803400e+00_pr) & + T * ((4.75628040e-03_pr) & + T * ((-1.63010090e-06_pr) & + T * ((2.54628060e-10_pr) & + T * ((-1.48863790e-14_pr)))))) H(sC4H4) = 159.660888290445 * (T * ((7.25396010e+00_pr) & + T * ((0.006957047_pr) & + T * ((-1.76440713333333e-06_pr) & + T * ((2.08701125e-10_pr) & + T * ((-7.0395764e-15_pr)))))) + (3.17660160e+04_pr)) Cp(sC4H4) = 159.660888290445 * ((7.25396010e+00_pr) & + T * ((1.39140940e-02_pr) & + T * ((-5.29322140e-06_pr) & + T * ((8.34804500e-10_pr) & + T * (-3.51978820e-14_pr))))) dH(sC4H4) = 159.660888290445 * ((7.25396010e+00_pr) & + T * ((1.39140940e-02_pr) & + T * ((-5.29322140e-06_pr) & + T * ((8.34804500e-10_pr) & + T * ((-3.51978820e-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(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(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(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(sC2O) = 207.750406032772 * (T * ((5.15127220e+00_pr) & + T * ((0.0011863361_pr) & + T * ((-2.5378657e-07_pr) & + T * ((2.92660375e-11_pr) & + T * ((-1.40515608e-15_pr)))))) + (3.32418880e+04_pr)) Cp(sC2O) = 207.750406032772 * ((5.15127220e+00_pr) & + T * ((2.37267220e-03_pr) & + T * ((-7.61359710e-07_pr) & + T * ((1.17064150e-10_pr) & + T * (-7.02578040e-15_pr))))) dH(sC2O) = 207.750406032772 * ((5.15127220e+00_pr) & + T * ((2.37267220e-03_pr) & + T * ((-7.61359710e-07_pr) & + T * ((1.17064150e-10_pr) & + T * ((-7.02578040e-15_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(sH2C4O) = 125.86365004281 * (T * ((8.42921830e+00_pr) & + T * ((0.0052513505_pr) & + T * ((-1.40222786666667e-06_pr) & + T * ((1.77962255e-10_pr) & + T * ((-7.1593204e-15_pr)))))) + (2.29078070e+04_pr)) Cp(sH2C4O) = 125.86365004281 * ((8.42921830e+00_pr) & + T * ((1.05027010e-02_pr) & + T * ((-4.20668360e-06_pr) & + T * ((7.11849020e-10_pr) & + T * (-3.57966020e-14_pr))))) dH(sH2C4O) = 125.86365004281 * ((8.42921830e+00_pr) & + T * ((1.05027010e-02_pr) & + T * ((-4.20668360e-06_pr) & + T * ((7.11849020e-10_pr) & + T * ((-3.57966020e-14_pr)))))) H(sIXC4H5) = 156.629287333023 * (T * ((6.96460290e+00_pr) & + T * ((0.0091371665_pr) & + T * ((-2.60445783333333e-06_pr) & + T * ((3.8230385e-10_pr) & + T * ((-2.1840986e-14_pr)))))) + (3.47250980e+04_pr)) Cp(sIXC4H5) = 156.629287333023 * ((6.96460290e+00_pr) & + T * ((1.82743330e-02_pr) & + T * ((-7.81337350e-06_pr) & + T * ((1.52921540e-09_pr) & + T * (-1.09204930e-13_pr))))) dH(sIXC4H5) = 156.629287333023 * ((6.96460290e+00_pr) & + T * ((1.82743330e-02_pr) & + T * ((-7.81337350e-06_pr) & + T * ((1.52921540e-09_pr) & + T * ((-1.09204930e-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(sC4H5X2XC4H5) = 156.629287333023 * (T * ((1.45381710e+01_pr) & + T * ((-0.0042838528_pr) & + T * ((7.85317466666667e-06_pr) & + T * ((-3.41909475e-09_pr) & + T * ((4.8873854e-13_pr)))))) + (3.32590950e+04_pr)) Cp(sC4H5X2XC4H5) = 156.629287333023 * ((1.45381710e+01_pr) & + T * ((-8.56770560e-03_pr) & + T * ((2.35595240e-05_pr) & + T * ((-1.36763790e-08_pr) & + T * (2.44369270e-12_pr))))) dH(sC4H5X2XC4H5) = 156.629287333023 * ((1.45381710e+01_pr) & + T * ((-8.56770560e-03_pr) & + T * ((2.35595240e-05_pr) & + T * ((-1.36763790e-08_pr) & + T * ((2.44369270e-12_pr)))))) H(sC6H6) = 106.44059219363 * (T * ((9.13812450e+00_pr) & + T * ((0.0119272165_pr) & + T * ((-2.93759086666667e-06_pr) & + T * ((3.02475525e-10_pr) & + T * ((-3.6443006e-15_pr)))))) + (5.20434620e+03_pr)) Cp(sC6H6) = 106.44059219363 * ((9.13812450e+00_pr) & + T * ((2.38544330e-02_pr) & + T * ((-8.81277260e-06_pr) & + T * ((1.20990210e-09_pr) & + T * (-1.82215030e-14_pr))))) dH(sC6H6) = 106.44059219363 * ((9.13812450e+00_pr) & + T * ((2.38544330e-02_pr) & + T * ((-8.81277260e-06_pr) & + T * ((1.20990210e-09_pr) & + T * ((-1.82215030e-14_pr)))))) H(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(sOXXC6H4) = 109.260273889796 * (T * ((8.84329610e+00_pr) & + T * ((0.010150737_pr) & + T * ((-2.95580896666667e-06_pr) & + T * ((4.316073e-10_pr) & + T * ((-2.3572094e-14_pr)))))) + (4.93171130e+04_pr)) Cp(sOXXC6H4) = 109.260273889796 * ((8.84329610e+00_pr) & + T * ((2.03014740e-02_pr) & + T * ((-8.86742690e-06_pr) & + T * ((1.72642920e-09_pr) & + T * (-1.17860470e-13_pr))))) dH(sOXXC6H4) = 109.260273889796 * ((8.84329610e+00_pr) & + T * ((2.03014740e-02_pr) & + T * ((-8.86742690e-06_pr) & + T * ((1.72642920e-09_pr) & + T * ((-1.17860470e-13_pr)))))) H(sC6H5) = 107.832003340868 * (T * ((8.59731100e+00_pr) & + T * ((0.011120815_pr) & + T * ((-2.90666593333333e-06_pr) & + T * ((3.44719625e-10_pr) & + T * ((-1.06292112e-14_pr)))))) + (3.62610470e+04_pr)) Cp(sC6H5) = 107.832003340868 * ((8.59731100e+00_pr) & + T * ((2.22416300e-02_pr) & + T * ((-8.71999780e-06_pr) & + T * ((1.37887850e-09_pr) & + T * (-5.31460560e-14_pr))))) dH(sC6H5) = 107.832003340868 * ((8.59731100e+00_pr) & + T * ((2.22416300e-02_pr) & + T * ((-8.71999780e-06_pr) & + T * ((1.37887850e-09_pr) & + T * ((-5.31460560e-14_pr)))))) H(sC6H5CH3) = 90.2367611990902 * (T * ((1.29400340e+01_pr) & + T * ((0.0133456435_pr) & + T * ((-3.22795016666667e-06_pr) & + T * ((3.93465725e-10_pr) & + T * ((-1.89327202e-14_pr)))))) + (-6.97649080e+02_pr)) Cp(sC6H5CH3) = 90.2367611990902 * ((1.29400340e+01_pr) & + T * ((2.66912870e-02_pr) & + T * ((-9.68385050e-06_pr) & + T * ((1.57386290e-09_pr) & + T * (-9.46636010e-14_pr))))) dH(sC6H5CH3) = 90.2367611990902 * ((1.29400340e+01_pr) & + T * ((2.66912870e-02_pr) & + T * ((-9.68385050e-06_pr) & + T * ((1.57386290e-09_pr) & + T * ((-9.46636010e-14_pr)))))) H(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(sC6H5CO) = 79.097893662341 * (T * ((1.33744090e+01_pr) & + T * ((0.0119996445_pr) & + T * ((-3.48857466666667e-06_pr) & + T * ((5.41728275e-10_pr) & + T * ((-3.601409e-14_pr)))))) + (6.91478370e+03_pr)) Cp(sC6H5CO) = 79.097893662341 * ((1.33744090e+01_pr) & + T * ((2.39992890e-02_pr) & + T * ((-1.04657240e-05_pr) & + T * ((2.16691310e-09_pr) & + T * (-1.80070450e-13_pr))))) dH(sC6H5CO) = 79.097893662341 * ((1.33744090e+01_pr) & + T * ((2.39992890e-02_pr) & + T * ((-1.04657240e-05_pr) & + T * ((2.16691310e-09_pr) & + T * ((-1.80070450e-13_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)))))) 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(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(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(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(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(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(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(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(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(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(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(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(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(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(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(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(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(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(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(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(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(sPXC3H4) = 207.525568604429 * (T * ((2.68038690e+00_pr) & + T * ((0.0078998255_pr) & + T * ((8.35686533333333e-07_pr) & + T * ((-3.41440575e-09_pr) & + T * ((1.3230857e-12_pr)))))) + (2.08023740e+04_pr)) Cp(sPXC3H4) = 207.525568604429 * ((2.68038690e+00_pr) & + T * ((1.57996510e-02_pr) & + T * ((2.50705960e-06_pr) & + T * ((-1.36576230e-08_pr) & + T * (6.61542850e-12_pr))))) dH(sPXC3H4) = 207.525568604429 * ((2.68038690e+00_pr) & + T * ((1.57996510e-02_pr) & + T * ((2.50705960e-06_pr) & + T * ((-1.36576230e-08_pr) & + T * ((6.61542850e-12_pr)))))) H(sC3H3) = 212.881184387259 * (T * ((1.35110927e+00_pr) & + T * ((0.01637056115_pr) & + T * ((-1.57942378333333e-05_pr) & + T * ((9.4077452e-09_pr) & + T * ((-2.37081846e-12_pr)))))) + (4.01057783e+04_pr)) Cp(sC3H3) = 212.881184387259 * ((1.35110927e+00_pr) & + T * ((3.27411223e-02_pr) & + T * ((-4.73827135e-05_pr) & + T * ((3.76309808e-08_pr) & + T * (-1.18540923e-11_pr))))) dH(sC3H3) = 212.881184387259 * ((1.35110927e+00_pr) & + T * ((3.27411223e-02_pr) & + T * ((-4.73827135e-05_pr) & + T * ((3.76309808e-08_pr) & + T * ((-1.18540923e-11_pr)))))) H(sCH3CHCH) = 202.432810601689 * (T * ((9.13729310e-01_pr) & + T * ((0.0132161715_pr) & + T * ((-3.91965e-06_pr) & + T * ((-5.7589195e-10_pr) & + T * ((5.5430976e-13_pr)))))) + (3.09168670e+04_pr)) Cp(sCH3CHCH) = 202.432810601689 * ((9.13729310e-01_pr) & + T * ((2.64323430e-02_pr) & + T * ((-1.17589500e-05_pr) & + T * ((-2.30356780e-09_pr) & + T * (2.77154880e-12_pr))))) dH(sCH3CHCH) = 202.432810601689 * ((9.13729310e-01_pr) & + T * ((2.64323430e-02_pr) & + T * ((-1.17589500e-05_pr) & + T * ((-2.30356780e-09_pr) & + T * ((2.77154880e-12_pr)))))) H(sC4H2) = 166.090332218136 * (T * ((1.05439780e+00_pr) & + T * ((0.02081348_pr) & + T * ((-2.19572613333333e-05_pr) & + T * ((1.331426875e-08_pr) & + T * ((-3.3366324e-12_pr)))))) + (5.41852110e+04_pr)) Cp(sC4H2) = 166.090332218136 * ((1.05439780e+00_pr) & + T * ((4.16269600e-02_pr) & + T * ((-6.58717840e-05_pr) & + T * ((5.32570750e-08_pr) & + T * (-1.66831620e-11_pr))))) dH(sC4H2) = 166.090332218136 * ((1.05439780e+00_pr) & + T * ((4.16269600e-02_pr) & + T * ((-6.58717840e-05_pr) & + T * ((5.32570750e-08_pr) & + T * ((-1.66831620e-11_pr)))))) H(sH2CC) = 319.321776580889 * (T * ((3.28154830e+00_pr) & + T * ((0.00348823955_pr) & + T * ((-7.951748e-07_pr) & + T * ((-3.026108e-10_pr) & + T * ((1.9637909e-13_pr)))))) + (4.86217940e+04_pr)) Cp(sH2CC) = 319.321776580889 * ((3.28154830e+00_pr) & + T * ((6.97647910e-03_pr) & + T * ((-2.38552440e-06_pr) & + T * ((-1.21044320e-09_pr) & + T * (9.81895450e-13_pr))))) dH(sH2CC) = 319.321776580889 * ((3.28154830e+00_pr) & + T * ((6.97647910e-03_pr) & + T * ((-2.38552440e-06_pr) & + T * ((-1.21044320e-09_pr) & + T * ((9.81895450e-13_pr)))))) H(sC4H4) = 159.660888290445 * (T * ((5.88570480e-01_pr) & + T * ((0.0182733425_pr) & + T * ((-1.13689893333333e-05_pr) & + T * ((4.16315475e-09_pr) & + T * ((-6.0129246e-13_pr)))))) + (3.33594920e+04_pr)) Cp(sC4H4) = 159.660888290445 * ((5.88570480e-01_pr) & + T * ((3.65466850e-02_pr) & + T * ((-3.41069680e-05_pr) & + T * ((1.66526190e-08_pr) & + T * (-3.00646230e-12_pr))))) dH(sC4H4) = 159.660888290445 * ((5.88570480e-01_pr) & + T * ((3.65466850e-02_pr) & + T * ((-3.41069680e-05_pr) & + T * ((1.66526190e-08_pr) & + T * ((-3.00646230e-12_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(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(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(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(sC2O) = 207.750406032772 * (T * ((2.86486100e+00_pr) & + T * ((0.005995108_pr) & + T * ((-6.120816e-06_pr) & + T * ((3.94243475e-09_pr) & + T * ((-1.07794904e-12_pr)))))) + (3.37499320e+04_pr)) Cp(sC2O) = 207.750406032772 * ((2.86486100e+00_pr) & + T * ((1.19902160e-02_pr) & + T * ((-1.83624480e-05_pr) & + T * ((1.57697390e-08_pr) & + T * (-5.38974520e-12_pr))))) dH(sC2O) = 207.750406032772 * ((2.86486100e+00_pr) & + T * ((1.19902160e-02_pr) & + T * ((-1.83624480e-05_pr) & + T * ((1.57697390e-08_pr) & + T * ((-5.38974520e-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(sH2C4O) = 125.86365004281 * (T * ((3.18119000e+00_pr) & + T * ((0.014920376_pr) & + T * ((-1.09441363333333e-05_pr) & + T * ((5.15795325e-09_pr) & + T * ((-1.08401196e-12_pr)))))) + (2.41255760e+04_pr)) Cp(sH2C4O) = 125.86365004281 * ((3.18119000e+00_pr) & + T * ((2.98407520e-02_pr) & + T * ((-3.28324090e-05_pr) & + T * ((2.06318130e-08_pr) & + T * (-5.42005980e-12_pr))))) dH(sH2C4O) = 125.86365004281 * ((3.18119000e+00_pr) & + T * ((2.98407520e-02_pr) & + T * ((-3.28324090e-05_pr) & + T * ((2.06318130e-08_pr) & + T * ((-5.42005980e-12_pr)))))) H(sIXC4H5) = 156.629287333023 * (T * ((1.13081050e-01_pr) & + T * ((0.0204753075_pr) & + T * ((-1.1804527e-05_pr) & + T * ((3.88274225e-09_pr) & + T * ((-4.6710244e-13_pr)))))) + (3.63833710e+04_pr)) Cp(sIXC4H5) = 156.629287333023 * ((1.13081050e-01_pr) & + T * ((4.09506150e-02_pr) & + T * ((-3.54135810e-05_pr) & + T * ((1.55309690e-08_pr) & + T * (-2.33551220e-12_pr))))) dH(sIXC4H5) = 156.629287333023 * ((1.13081050e-01_pr) & + T * ((4.09506150e-02_pr) & + T * ((-3.54135810e-05_pr) & + T * ((1.55309690e-08_pr) & + T * ((-2.33551220e-12_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(sC4H5X2XC4H5) = 156.629287333023 * (T * ((2.96962800e+00_pr) & + T * ((0.0122211225_pr) & + T * ((-3.04171413333333e-06_pr) & + T * ((-1.061671775e-18_pr) & + T * ((3.2609456e-22_pr)))))) + (3.55033160e+04_pr)) Cp(sC4H5X2XC4H5) = 156.629287333023 * ((2.96962800e+00_pr) & + T * ((2.44422450e-02_pr) & + T * ((-9.12514240e-06_pr) & + T * ((-4.24668710e-18_pr) & + T * (1.63047280e-21_pr))))) dH(sC4H5X2XC4H5) = 156.629287333023 * ((2.96962800e+00_pr) & + T * ((2.44422450e-02_pr) & + T * ((-9.12514240e-06_pr) & + T * ((-4.24668710e-18_pr) & + T * ((1.63047280e-21_pr)))))) H(sC6H6) = 106.44059219363 * (T * ((-4.84377340e+00_pr) & + T * ((0.0292138065_pr) & + T * ((-9.82861833333333e-06_pr) & + T * ((-1.734761e-09_pr) & + T * ((1.64250506e-12_pr)))))) + (9.18177730e+03_pr)) Cp(sC6H6) = 106.44059219363 * ((-4.84377340e+00_pr) & + T * ((5.84276130e-02_pr) & + T * ((-2.94858550e-05_pr) & + T * ((-6.93904400e-09_pr) & + T * (8.21252530e-12_pr))))) dH(sC6H6) = 106.44059219363 * ((-4.84377340e+00_pr) & + T * ((5.84276130e-02_pr) & + T * ((-2.94858550e-05_pr) & + T * ((-6.93904400e-09_pr) & + T * ((8.21252530e-12_pr)))))) H(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(sOXXC6H4) = 109.260273889796 * (T * ((-3.84541890e+00_pr) & + T * ((0.029195782_pr) & + T * ((-1.62149166666667e-05_pr) & + T * ((4.19258e-09_pr) & + T * ((-1.5716136e-13_pr)))))) + (5.25925000e+04_pr)) Cp(sOXXC6H4) = 109.260273889796 * ((-3.84541890e+00_pr) & + T * ((5.83915640e-02_pr) & + T * ((-4.86447500e-05_pr) & + T * ((1.67703200e-08_pr) & + T * (-7.85806800e-13_pr))))) dH(sOXXC6H4) = 109.260273889796 * ((-3.84541890e+00_pr) & + T * ((5.83915640e-02_pr) & + T * ((-4.86447500e-05_pr) & + T * ((1.67703200e-08_pr) & + T * ((-7.85806800e-13_pr)))))) H(sC6H5) = 107.832003340868 * (T * ((-3.69314530e+00_pr) & + T * ((0.026089484_pr) & + T * ((-8.51947566666667e-06_pr) & + T * ((-1.766528025e-09_pr) & + T * ((1.5166795e-12_pr)))))) + (3.97795900e+04_pr)) Cp(sC6H5) = 107.832003340868 * ((-3.69314530e+00_pr) & + T * ((5.21789680e-02_pr) & + T * ((-2.55584270e-05_pr) & + T * ((-7.06611210e-09_pr) & + T * (7.58339750e-12_pr))))) dH(sC6H5) = 107.832003340868 * ((-3.69314530e+00_pr) & + T * ((5.21789680e-02_pr) & + T * ((-2.55584270e-05_pr) & + T * ((-7.06611210e-09_pr) & + T * ((7.58339750e-12_pr)))))) H(sC6H5CH3) = 90.2367611990902 * (T * ((1.61526630e+00_pr) & + T * ((0.010549719_pr) & + T * ((2.84553393333333e-05_pr) & + T * ((-3.3152665e-08_pr) & + T * ((1.11913208e-11_pr)))))) + (4.07563000e+03_pr)) Cp(sC6H5CH3) = 90.2367611990902 * ((1.61526630e+00_pr) & + T * ((2.10994380e-02_pr) & + T * ((8.53660180e-05_pr) & + T * ((-1.32610660e-07_pr) & + T * (5.59566040e-11_pr))))) dH(sC6H5CH3) = 90.2367611990902 * ((1.61526630e+00_pr) & + T * ((2.10994380e-02_pr) & + T * ((8.53660180e-05_pr) & + T * ((-1.32610660e-07_pr) & + T * ((5.59566040e-11_pr)))))) H(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(sC6H5CO) = 79.097893662341 * (T * ((-2.02511550e+00_pr) & + T * ((0.0307562705_pr) & + T * ((-1.0534551e-05_pr) & + T * ((-1.743114975e-09_pr) & + T * ((1.59670298e-12_pr)))))) + (1.12558030e+04_pr)) Cp(sC6H5CO) = 79.097893662341 * ((-2.02511550e+00_pr) & + T * ((6.15125410e-02_pr) & + T * ((-3.16036530e-05_pr) & + T * ((-6.97245990e-09_pr) & + T * (7.98351490e-12_pr))))) dH(sC6H5CO) = 79.097893662341 * ((-2.02511550e+00_pr) & + T * ((6.15125410e-02_pr) & + T * ((-3.16036530e-05_pr) & + T * ((-6.97245990e-09_pr) & + T * ((7.98351490e-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)))))) end if end subroutine compute_thermodata ! --- Thirdbodies --- ! subroutine get_thirdbodies(M, c) implicit none real(pr), dimension(nspec) :: c real(pr), dimension(27) :: M M(mM13) = (0.5_pr) * c(sCO) & + (1_pr) * c(sCO2) & + (5_pr) * c(sH2O) & + (2_pr) * c(sC2H6) & + (1_pr) * c(sH2) & + (1_pr) * c(sCH4) & + sum(c) M(mM16) = (1_pr) * c(sH2) & + (1_pr) * c(sCH4) & + (0.5_pr) * c(sCO) & + (1_pr) * c(sCO2) & + (5_pr) * c(sH2O) & + (2_pr) * c(sC2H6) & + sum(c) M(mM66) = (1_pr) * c(sH2) & + (1_pr) * c(sCH4) & + (0.5_pr) * c(sCO) & + (1_pr) * c(sCO2) & + (5_pr) * c(sH2O) & + sum(c) M(mM28) = (1_pr) * c(sH2) & + (1_pr) * c(sCH4) & + (2_pr) * c(sC2H4) & + (2_pr) * c(sC2H6) & + (0.5_pr) * c(sCO) & + (5_pr) * c(sH2O) & + (1_pr) * c(sCO2) & + (2_pr) * c(sC2H2) & + sum(c) M(mM41) = (0.5_pr) * c(sCO) & + (1_pr) * c(sCO2) & + (5_pr) * c(sH2O) & + (2_pr) * c(sC2H6) & + (1_pr) * c(sH2) & + (1_pr) * c(sCH4) & + sum(c) M(mM35) = (1_pr) * c(sCH4) & + (1_pr) * c(sH2) & + (5_pr) * c(sH2O) & + (1_pr) * c(sCO2) & + (0.5_pr) * c(sCO) & + (2_pr) * c(sC2H6) & + sum(c) M(mM8) = (1_pr) * c(sH2) & + (2.6_pr) * c(sCO2) & + (0.75_pr) * c(sCO) & + (-1_pr) * c(sH2O) & + sum(c) M(mM7) = (1_pr) * c(sH2) & + (0.75_pr) * c(sCO) & + (11_pr) * c(sH2O) & + (2.6_pr) * c(sCO2) & + sum(c) M(mM17) = (2_pr) * c(sC2H6) & + (5_pr) * c(sH2O) & + (1_pr) * c(sCO2) & + (0.5_pr) * c(sCO) & + (1_pr) * c(sCH4) & + (1_pr) * c(sH2) & + sum(c) M(mM3) = (2.6_pr) * c(sCO2) & + (11_pr) * c(sH2O) & + (0.75_pr) * c(sCO) & + (1_pr) * c(sH2) & + sum(c) M(mM27) = (2_pr) * c(sC2H4) & + (1_pr) * c(sH2) & + (1_pr) * c(sCH4) & + (2_pr) * c(sC2H2) & + (0.5_pr) * c(sCO) & + (1_pr) * c(sCO2) & + (5_pr) * c(sH2O) & + (2_pr) * c(sC2H6) & + sum(c) M(mM6) = & + (1_pr) * c(sH2) & + (0.75_pr) * c(sCO) & + (5_pr) * c(sH2O) & + (2.6_pr) * c(sCO2) & + sum(c) M(mM19) = (0.5_pr) * c(sCO) & + (5_pr) * c(sH2O) & + (1_pr) * c(sCO2) & + (2_pr) * c(sC2H6) & + (1_pr) * c(sH2) & + (1_pr) * c(sCH4) & + sum(c) M(mM36) = (0.5_pr) * c(sCO) & + (5_pr) * c(sH2O) & + (1_pr) * c(sCO2) & + (2_pr) * c(sC2H6) & + (1_pr) * c(sH2) & + (1_pr) * c(sCH4) & + sum(c) M(mM23) = (1_pr) * c(sH2) & + (1_pr) * c(sCH4) & + (1.5_pr) * c(sC2H4) & + (0.5_pr) * c(sCO) & + (1_pr) * c(sCO2) & + (5_pr) * c(sH2O) & + (2_pr) * c(sC2H6) & + sum(c) M(mM65) = (0.5_pr) * c(sCO) & + (1_pr) * c(sCO2) & + (5_pr) * c(sH2O) & + (1_pr) * c(sH2) & + (1_pr) * c(sCH4) & + sum(c) M(mM37) = (2_pr) * c(sC2H6) & + (0.5_pr) * c(sCO) & + (5_pr) * c(sH2O) & + (1_pr) * c(sCO2) & + (1_pr) * c(sH2) & + (1_pr) * c(sCH4) & + sum(c) M(mM5) = (-0.15_pr) * c(sO2) & + (0.0900000000000001_pr) * c(sCO) & + (1.18_pr) * c(sCO2) & + (10.89_pr) * c(sH2O) & + sum(c) M(mM29) = (2_pr) * c(sC2H4) & + (1_pr) * c(sH2) & + (1_pr) * c(sCH4) & + (0.5_pr) * c(sCO) & + (1_pr) * c(sCO2) & + (5_pr) * c(sH2O) & + (2_pr) * c(sC2H6) & + (2_pr) * c(sC2H2) & + sum(c) M(mM30) = (1_pr) * c(sCO2) & + (5_pr) * c(sH2O) & + (0.5_pr) * c(sCO) & + (2_pr) * c(sC2H6) & + (2_pr) * c(sC2H4) & + (1_pr) * c(sCH4) & + (1_pr) * c(sH2) & + sum(c) M(mM24) = (2_pr) * c(sC2H4) & + (1_pr) * c(sCH4) & + (1_pr) * c(sH2) & + (2_pr) * c(sC2H6) & + (1_pr) * c(sCO2) & + (5_pr) * c(sH2O) & + (0.5_pr) * c(sCO) & + (2_pr) * c(sC2H2) & + sum(c) M(mM47) = (2_pr) * c(sC2H6) & + (0.5_pr) * c(sCO) & + (1_pr) * c(sCO2) & + (5_pr) * c(sH2O) & + (1_pr) * c(sH2) & + (1_pr) * c(sCH4) & + sum(c) M(mM10) = & + (1_pr) * c(sCH4) & + (1_pr) * c(sH2) & + (5_pr) * c(sH2O) & + (1_pr) * c(sCO2) & + (0.5_pr) * c(sCO) & + (2_pr) * c(sC2H6) & + sum(c) M(mM2) = (0.75_pr) * c(sCO) & + (2.6_pr) * c(sCO2) & + (5.3_pr) * c(sH2O) & + (1_pr) * c(sH2) & + sum(c) M(mM42) = & + (1_pr) * c(sCH4) & + (1_pr) * c(sH2) & + (5_pr) * c(sH2O) & + (1_pr) * c(sCO2) & + (0.5_pr) * c(sCO) & + (2_pr) * c(sC2H6) & + sum(c) M(mM43) = & + (1_pr) * c(sCH4) & + (1_pr) * c(sH2) & + (1_pr) * c(sCO2) & + (5_pr) * c(sH2O) & + (0.5_pr) * c(sCO) & + (2_pr) * c(sC2H6) & + 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(27) :: M real(pr) :: Tloc, Ploc real(pr) :: k3f_0, k3f_inf, FC3f real(pr) :: k9f_0, k9f_inf, FC9f real(pr) :: k45f_0, k45f_inf, FC45f real(pr) :: k50f_0, k50f_inf, FC50f real(pr) :: k58f_0, k58f_inf, FC58f real(pr) :: k59f_0, k59f_inf, FC59f real(pr) :: k61_0, k61_inf, FC61 real(pr) :: k80_0, k80_inf, FC80 real(pr) :: k100f_0, k100f_inf, FC100f real(pr) :: k101f_0, k101f_inf, FC101f real(pr) :: k111f_0, k111f_inf, FC111f real(pr) :: k117f_0, k117f_inf, FC117f real(pr) :: k119_0, k119_inf, FC119 real(pr) :: k124f_0, k124f_inf, FC124f real(pr) :: k129_0, k129_inf, FC129 real(pr) :: k140_0, k140_inf, FC140 real(pr) :: k160f_0, k160f_inf, FC160f real(pr) :: k190f_0, k190f_inf, FC190f real(pr) :: k191f_0, k191f_inf, FC191f real(pr) :: k205f_0, k205f_inf, FC205f real(pr) :: k238_0, k238_inf, FC238 real(pr) :: k257f_0, k257f_inf, FC257f real(pr) :: k260_0, k260_inf, FC260 real(pr) :: k3b_0, k3b_inf, FC3b real(pr) :: k9b_0, k9b_inf, FC9b real(pr) :: k45b_0, k45b_inf, FC45b real(pr) :: k50b_0, k50b_inf, FC50b real(pr) :: k58b_0, k58b_inf, FC58b real(pr) :: k59b_0, k59b_inf, FC59b real(pr) :: k100b_0, k100b_inf, FC100b real(pr) :: k101b_0, k101b_inf, FC101b real(pr) :: k111b_0, k111b_inf, FC111b real(pr) :: k117b_0, k117b_inf, FC117b real(pr) :: k124b_0, k124b_inf, FC124b real(pr) :: k160b_0, k160b_inf, FC160b real(pr) :: k190b_0, k190b_inf, FC190b real(pr) :: k191b_0, k191b_inf, FC191b real(pr) :: k205b_0, k205b_inf, FC205b real(pr) :: k257b_0, k257b_inf, FC257b ! ! Rate coefficients k(r1) = (9.42800000e+06_pr) * Tloc**(-1.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r2f) = (4.58900000e-02_pr) * Tloc**(2.700_pr) * & exp(-(2.619e+04_pr) / (8.314_pr * Tloc)) k3f_0 = (2.01000000e+05_pr) * Tloc**(-0.584_pr) * & exp(-(-9.594e+03_pr) / (8.314_pr * Tloc)) k3f_inf = (1.11000000e+08_pr) * Tloc**(-0.370_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) FC3f = (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(r3f) = & getlindratecoeff & (Tloc, k3f_0, k3f_inf, FC3f, M(mM6), Ploc) k(r4f) = (3.97300000e-02_pr) * Tloc**(2.400_pr) * & exp(-(-8.828e+03_pr) / (8.314_pr * Tloc)) k(r5f) = (1.73400000e+02_pr) * Tloc**(1.510_pr) * & exp(-(1.435e+04_pr) / (8.314_pr * Tloc)) k(r6f) = (4.40000000e+10_pr) * Tloc**(-2.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r7f) = (2.64400000e+10_pr) * Tloc**(-0.671_pr) * & exp(-(7.130e+04_pr) / (8.314_pr * Tloc)) k(r8f) = (5.91600000e-01_pr) * Tloc**(2.433_pr) * & exp(-(2.239e+05_pr) / (8.314_pr * Tloc)) k9f_0 = (6.32800000e+07_pr) * Tloc**(-1.400_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k9f_inf = (5.11600000e+06_pr) * Tloc**(0.440_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) FC9f = (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(r9f) = & getlindratecoeff & (Tloc, k9f_0, k9f_inf, FC9f, M(mM5), Ploc) k(r10) = (1.30000000e+05_pr) * Tloc**(0.000_pr) * & exp(-(-6.820e+03_pr) / (8.314_pr * Tloc)) k(r11) = (5.37000000e+64_pr) * Tloc**(-16.720_pr) * & exp(-(1.377e+05_pr) / (8.314_pr * Tloc)) k(r12) = (4.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r13) = (3.97000000e+06_pr) * Tloc**(0.000_pr) * & exp(-(2.807e+03_pr) / (8.314_pr * Tloc)) k(r14) = (2.05200000e-02_pr) * Tloc**(2.607_pr) * & exp(-(8.860e+04_pr) / (8.314_pr * Tloc)) k(r15f) = (7.48500000e+07_pr) * Tloc**(0.000_pr) * & exp(-(1.234e+03_pr) / (8.314_pr * Tloc)) k(r16) = (1.41000000e+12_pr) * Tloc**(-1.760_pr) * & exp(-(2.510e+02_pr) / (8.314_pr * Tloc)) k(r17) = (3.65800000e+08_pr) * Tloc**(0.000_pr) * & exp(-(5.021e+04_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(r19f) = (2.51000000e+06_pr) * Tloc**(2.000_pr) * & exp(-(1.674e+05_pr) / (8.314_pr * Tloc)) k(r20f) = (2.67000000e+35_pr) * Tloc**(-7.000_pr) * & exp(-(1.573e+05_pr) / (8.314_pr * Tloc)) k(r21) = (2.00000000e+06_pr) * Tloc**(0.000_pr) * & exp(-(1.787e+03_pr) / (8.314_pr * Tloc)) k(r22) = (5.70000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r23) = (5.71000000e+06_pr) * Tloc**(0.000_pr) * & exp(-(-3.159e+03_pr) / (8.314_pr * Tloc)) k(r24f) = (1.10700000e+02_pr) * Tloc**(1.790_pr) * & exp(-(6.987e+03_pr) / (8.314_pr * Tloc)) k(r25) = (3.30000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r26) = (3.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r27) = (1.06000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(6.276e+03_pr) / (8.314_pr * Tloc)) k(r28) = (8.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r29) = (2.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r30f) = (5.00000000e-01_pr) * Tloc**(2.000_pr) * & exp(-(3.025e+04_pr) / (8.314_pr * Tloc)) k(r31) = (2.64000000e+06_pr) * Tloc**(0.000_pr) * & exp(-(6.276e+03_pr) / (8.314_pr * Tloc)) k(r32f) = (1.13000000e+01_pr) * Tloc**(2.000_pr) * & exp(-(1.255e+04_pr) / (8.314_pr * Tloc)) k(r33) = (1.20000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r34f) = (7.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r35) = (2.80000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r36) = (3.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r37f) = (3.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r38) = (3.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r39) = (2.96000000e+06_pr) * Tloc**(-0.070_pr) * & exp(-(5.686e+04_pr) / (8.314_pr * Tloc)) k(r40f) = (2.45000000e-02_pr) * Tloc**(2.470_pr) * & exp(-(2.167e+04_pr) / (8.314_pr * Tloc)) k(r41) = (4.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r42) = (3.60000000e+04_pr) * Tloc**(0.000_pr) * & exp(-(3.740e+04_pr) / (8.314_pr * Tloc)) k(r43) = (6.24200000e-01_pr) * Tloc**(1.992_pr) * & exp(-(5.654e+04_pr) / (8.314_pr * Tloc)) k(r44) = (1.34000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k45f_0 = (1.77000000e+38_pr) * Tloc**(-9.670_pr) * & exp(-(2.602e+04_pr) / (8.314_pr * Tloc)) k45f_inf = (2.12000000e+10_pr) * Tloc**(-0.970_pr) * & exp(-(2.594e+03_pr) / (8.314_pr * Tloc)) FC45f = (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(r45f) = & getlindratecoeff & (Tloc, k45f_0, k45f_inf, FC45f, M(mM19), Ploc) k(r46f) = (4.99000000e+06_pr) * Tloc**(0.100_pr) * & exp(-(4.435e+04_pr) / (8.314_pr * Tloc)) k(r47f) = (2.50100000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r48f) = (5.60000000e+01_pr) * Tloc**(1.600_pr) * & exp(-(2.268e+04_pr) / (8.314_pr * Tloc)) k(r49) = (1.00000000e+06_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(r51) = (8.43000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r52) = (3.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r53) = (3.08300000e+07_pr) * Tloc**(0.000_pr) * & exp(-(1.205e+05_pr) / (8.314_pr * Tloc)) k(r54f) = (1.02000000e+03_pr) * Tloc**(1.500_pr) * & exp(-(3.598e+04_pr) / (8.314_pr * Tloc)) k(r55) = (6.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r56f) = (6.60000000e+02_pr) * Tloc**(1.620_pr) * & exp(-(4.536e+04_pr) / (8.314_pr * Tloc)) k(r57f) = (1.00000000e+02_pr) * Tloc**(1.600_pr) * & exp(-(1.305e+04_pr) / (8.314_pr * Tloc)) k58f_0 = (2.69000000e+21_pr) * Tloc**(-5.110_pr) * & exp(-(2.968e+04_pr) / (8.314_pr * Tloc)) k58f_inf = (8.10000000e+05_pr) * Tloc**(0.500_pr) * & exp(-(1.887e+04_pr) / (8.314_pr * Tloc)) FC58f = (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(r58f) = & getlindratecoeff & (Tloc, k58f_0, k58f_inf, FC58f, M(mM13), Ploc) k59f_0 = (2.69000000e+16_pr) * Tloc**(-3.740_pr) * & exp(-(8.100e+03_pr) / (8.314_pr * Tloc)) k59f_inf = (5.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) FC59f = (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(r59f) = & getlindratecoeff & (Tloc, k59f_0, k59f_inf, FC59f, M(mM10), Ploc) k(r60) = (1.57000000e-01_pr) * Tloc**(2.180_pr) * & exp(-(7.507e+04_pr) / (8.314_pr * Tloc)) k61_0 = (1.17300000e+12_pr) * Tloc**(-2.790_pr) * & exp(-(1.754e+04_pr) / (8.314_pr * Tloc)) k61_inf = (1.36200000e+04_pr) * Tloc**(0.000_pr) * & exp(-(9.975e+03_pr) / (8.314_pr * Tloc)) FC61 = + (1.000e+00_pr) * & exp(-(0.000e+00_pr) / Tloc) k(r61) = & getlindratecoeff & (Tloc, k61_0, k61_inf, FC61, M(mM7), Ploc) k(r62f) = (5.75700000e+06_pr) * Tloc**(-0.664_pr) * & exp(-(1.388e+03_pr) / (8.314_pr * Tloc)) k(r63f) = (9.00000000e+06_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r64f) = (7.04600000e-02_pr) * Tloc**(2.053_pr) * & exp(-(-1.488e+03_pr) / (8.314_pr * Tloc)) k(r65f) = (2.24400000e+12_pr) * Tloc**(-1.000_pr) * & exp(-(7.113e+04_pr) / (8.314_pr * Tloc)) k(r66) = (1.20000000e+08_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r67f) = (1.87000000e+11_pr) * Tloc**(-1.000_pr) * & exp(-(7.113e+04_pr) / (8.314_pr * Tloc)) k(r68) = (1.20400000e+04_pr) * Tloc**(0.807_pr) * & exp(-(-3.042e+03_pr) / (8.314_pr * Tloc)) k(r69) = (3.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r70) = (3.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r71) = (3.02000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r72) = (8.48000000e+06_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r73) = (3.43000000e+03_pr) * Tloc**(1.180_pr) * & exp(-(-1.870e+03_pr) / (8.314_pr * Tloc)) k(r74) = (2.30000000e+04_pr) * Tloc**(1.050_pr) * & exp(-(1.370e+04_pr) / (8.314_pr * Tloc)) k(r75) = (1.00000000e+08_pr) * Tloc**(0.000_pr) * & exp(-(1.674e+05_pr) / (8.314_pr * Tloc)) k(r76) = (1.00000000e+06_pr) * Tloc**(0.000_pr) * & exp(-(3.347e+04_pr) / (8.314_pr * Tloc)) k(r77) = (3.90000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(1.481e+04_pr) / (8.314_pr * Tloc)) k(r78) = (3.32000000e-03_pr) * Tloc**(2.810_pr) * & exp(-(2.452e+04_pr) / (8.314_pr * Tloc)) k(r79) = (4.28000000e-19_pr) * Tloc**(7.600_pr) * & exp(-(-1.477e+04_pr) / (8.314_pr * Tloc)) k80_0 = (3.53200000e+27_pr) * Tloc**(-5.675_pr) * & exp(-(1.137e+05_pr) / (8.314_pr * Tloc)) k80_inf = (8.66900000e+14_pr) * Tloc**(-0.421_pr) * & exp(-(1.014e+05_pr) / (8.314_pr * Tloc)) FC80 = (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(r80) = & getlindratecoeff & (Tloc, k80_0, k80_inf, FC80, M(mM16), Ploc) k(r81) = (2.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r82) = (1.40000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r83) = (3.40000000e+06_pr) * Tloc**(0.000_pr) * & exp(-(2.887e+03_pr) / (8.314_pr * Tloc)) k(r84f) = (7.00000000e+06_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r85f) = (4.90000000e-01_pr) * Tloc**(2.500_pr) * & exp(-(2.343e+03_pr) / (8.314_pr * Tloc)) k(r86) = (5.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(6.276e+03_pr) / (8.314_pr * Tloc)) k(r87) = (2.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r88) = (5.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r89f) = (2.56000000e+03_pr) * Tloc**(1.100_pr) * & exp(-(5.709e+04_pr) / (8.314_pr * Tloc)) k(r90) = (2.18000000e-10_pr) * Tloc**(4.500_pr) * & exp(-(-4.184e+03_pr) / (8.314_pr * Tloc)) k(r91) = (2.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r92f) = (3.20000000e+29_pr) * Tloc**(-7.760_pr) * & exp(-(5.565e+04_pr) / (8.314_pr * Tloc)) k(r93) = (1.00000000e+01_pr) * Tloc**(2.000_pr) * & exp(-(2.510e+04_pr) / (8.314_pr * Tloc)) k(r94f) = (1.63200000e+01_pr) * Tloc**(2.000_pr) * & exp(-(7.950e+03_pr) / (8.314_pr * Tloc)) k(r95f) = (4.60000000e+13_pr) * Tloc**(-1.410_pr) * & exp(-(1.211e+05_pr) / (8.314_pr * Tloc)) k(r96f) = (3.37000000e+01_pr) * Tloc**(2.000_pr) * & exp(-(5.858e+04_pr) / (8.314_pr * Tloc)) k(r97) = (1.20000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(2.770e+04_pr) / (8.314_pr * Tloc)) k(r98) = (4.08000000e+00_pr) * Tloc**(2.000_pr) * & exp(-(7.950e+03_pr) / (8.314_pr * Tloc)) k(r99f) = (9.60000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k100f_0 = (1.40000000e+48_pr) * Tloc**(-12.600_pr) * & exp(-(3.103e+04_pr) / (8.314_pr * Tloc)) k100f_inf = (3.50000000e-01_pr) * Tloc**(2.055_pr) * & exp(-(-1.004e+04_pr) / (8.314_pr * Tloc)) FC100f = (2.000e-02_pr) * & exp(-Tloc / (5.600e+01_pr)) + (9.800e-01_pr) * & exp(-Tloc / (5.800e+02_pr)) + (1.000e+00_pr) * & exp(-(4.164e+03_pr) / Tloc) k(r100f) = & getlindratecoeff & (Tloc, k100f_0, k100f_inf, FC100f, M(mM27), Ploc) k101f_0 = (2.45000000e+09_pr) * Tloc**(-0.640_pr) * & exp(-(2.079e+05_pr) / (8.314_pr * Tloc)) k101f_inf = (8.00000000e+14_pr) * Tloc**(-0.520_pr) * & exp(-(2.123e+05_pr) / (8.314_pr * Tloc)) FC101f = + (1.000e+00_pr) * & exp(-(0.000e+00_pr) / Tloc) k(r101f) = & getlindratecoeff & (Tloc, k101f_0, k101f_inf, FC101f, M(mM23), Ploc) k(r102f) = (1.00000000e+08_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r103) = (2.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r104) = (1.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r105) = (4.80000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r106) = (9.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r107) = (3.00000000e+05_pr) * Tloc**(0.290_pr) * & exp(-(4.600e+01_pr) / (8.314_pr * Tloc)) k(r108f) = (1.50000000e+18_pr) * Tloc**(-2.830_pr) * & exp(-(7.790e+04_pr) / (8.314_pr * Tloc)) k(r109) = (4.60000000e+10_pr) * Tloc**(-1.390_pr) * & exp(-(4.226e+03_pr) / (8.314_pr * Tloc)) k(r110) = (3.01100000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k111f_0 = (2.56500000e+21_pr) * Tloc**(-3.400_pr) * & exp(-(1.498e+05_pr) / (8.314_pr * Tloc)) k111f_inf = (3.86000000e+08_pr) * Tloc**(1.620_pr) * & exp(-(1.550e+05_pr) / (8.314_pr * Tloc)) FC111f = (-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(r111f) = & getlindratecoeff & (Tloc, k111f_0, k111f_inf, FC111f, M(mM24), Ploc) k(r112f) = (2.00000000e+12_pr) * Tloc**(-1.680_pr) * & exp(-(4.435e+04_pr) / (8.314_pr * Tloc)) k(r113) = (4.80000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r114) = (6.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r115) = (1.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r116f) = (1.34000000e+00_pr) * Tloc**(1.610_pr) * & exp(-(-1.604e+03_pr) / (8.314_pr * Tloc)) k117f_0 = (4.27000000e+46_pr) * Tloc**(-11.940_pr) * & exp(-(4.088e+04_pr) / (8.314_pr * Tloc)) k117f_inf = (2.50000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) FC117f = (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(r117f) = & getlindratecoeff & (Tloc, k117f_0, k117f_inf, FC117f, M(mM30), Ploc) k119_0 = (1.40000000e+18_pr) * Tloc**(-3.860_pr) * & exp(-(1.389e+04_pr) / (8.314_pr * Tloc)) k119_inf = (6.08000000e+06_pr) * Tloc**(0.270_pr) * & exp(-(1.172e+03_pr) / (8.314_pr * Tloc)) FC119 = (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(r119) = & getlindratecoeff & (Tloc, k119_0, k119_inf, FC119, M(mM29), Ploc) k(r120) = (3.84000000e-01_pr) * Tloc**(1.830_pr) * & exp(-(9.200e+02_pr) / (8.314_pr * Tloc)) k(r121f) = (5.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r122f) = (2.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(2.510e+04_pr) / (8.314_pr * Tloc)) k(r123) = (3.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k124f_0 = (2.02700000e+27_pr) * Tloc**(-6.642_pr) * & exp(-(2.414e+04_pr) / (8.314_pr * Tloc)) k124f_inf = (1.36700000e+03_pr) * Tloc**(1.463_pr) * & exp(-(5.669e+03_pr) / (8.314_pr * Tloc)) FC124f = (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(r124f) = & getlindratecoeff & (Tloc, k124f_0, k124f_inf, FC124f, M(mM36), Ploc) k(r125) = (1.92000000e+01_pr) * Tloc**(1.830_pr) * & exp(-(9.200e+02_pr) / (8.314_pr * Tloc)) k(r126f) = (1.51000000e+01_pr) * Tloc**(1.900_pr) * & exp(-(1.565e+04_pr) / (8.314_pr * Tloc)) k(r127f) = (5.07000000e+01_pr) * Tloc**(1.900_pr) * & exp(-(5.418e+04_pr) / (8.314_pr * Tloc)) k(r128f) = (3.60000000e+00_pr) * Tloc**(2.000_pr) * & exp(-(1.046e+04_pr) / (8.314_pr * Tloc)) k129_0 = (7.00000000e+44_pr) * Tloc**(-9.310_pr) * & exp(-(4.178e+05_pr) / (8.314_pr * Tloc)) k129_inf = (8.00000000e+12_pr) * Tloc**(0.440_pr) * & exp(-(3.714e+05_pr) / (8.314_pr * Tloc)) FC129 = (2.655e-01_pr) * & exp(-Tloc / (1.800e+02_pr)) + (7.345e-01_pr) * & exp(-Tloc / (1.035e+03_pr)) + (1.000e+00_pr) * & exp(-(5.417e+03_pr) / Tloc) k(r129) = & getlindratecoeff & (Tloc, k129_0, k129_inf, FC129, M(mM35), Ploc) k(r130) = (5.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r131) = (1.00000000e+01_pr) * Tloc**(2.000_pr) * & exp(-(3.347e+04_pr) / (8.314_pr * Tloc)) k(r132f) = (3.30000000e+05_pr) * Tloc**(0.000_pr) * & exp(-(3.222e+04_pr) / (8.314_pr * Tloc)) k(r133f) = (2.27000000e-01_pr) * Tloc**(2.000_pr) * & exp(-(3.849e+04_pr) / (8.314_pr * Tloc)) k(r134) = (1.20000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r135) = (2.40000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r136f) = (2.00000000e+04_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r137) = (3.00000000e+05_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r138) = (1.60400000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r139) = (3.00000000e+05_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k140_0 = (1.99000000e+29_pr) * Tloc**(-7.080_pr) * & exp(-(2.797e+04_pr) / (8.314_pr * Tloc)) k140_inf = (5.21000000e+11_pr) * Tloc**(-0.990_pr) * & exp(-(6.611e+03_pr) / (8.314_pr * Tloc)) FC140 = (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(r140) = & getlindratecoeff & (Tloc, k140_0, k140_inf, FC140, M(mM37), Ploc) k(r141) = (8.98000000e+01_pr) * Tloc**(1.920_pr) * & exp(-(2.381e+04_pr) / (8.314_pr * Tloc)) k(r142f) = (1.15000000e+02_pr) * Tloc**(1.900_pr) * & exp(-(3.151e+04_pr) / (8.314_pr * Tloc)) k(r143) = (3.54000000e+00_pr) * Tloc**(2.120_pr) * & exp(-(3.640e+03_pr) / (8.314_pr * Tloc)) k(r144) = (6.14000000e+00_pr) * Tloc**(1.740_pr) * & exp(-(4.372e+04_pr) / (8.314_pr * Tloc)) k(r145) = (5.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r146) = (2.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r147f) = (5.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r148) = (2.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r149f) = (1.00000000e+08_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r150) = (1.60000000e+06_pr) * Tloc**(0.000_pr) * & exp(-(3.573e+03_pr) / (8.314_pr * Tloc)) k(r152) = (1.00000000e+08_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r153) = (5.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r155f) = (3.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r156f) = (5.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(3.347e+04_pr) / (8.314_pr * Tloc)) k(r157) = (1.75000000e+06_pr) * Tloc**(0.000_pr) * & exp(-(5.648e+03_pr) / (8.314_pr * Tloc)) k(r158f) = (7.50000000e+06_pr) * Tloc**(0.000_pr) * & exp(-(8.368e+03_pr) / (8.314_pr * Tloc)) k(r159f) = (1.50000000e+03_pr) * Tloc**(1.430_pr) * & exp(-(1.126e+04_pr) / (8.314_pr * Tloc)) k160f_0 = (3.80000000e+29_pr) * Tloc**(-7.640_pr) * & exp(-(4.979e+04_pr) / (8.314_pr * Tloc)) k160f_inf = (3.30000000e+08_pr) * Tloc**(-0.060_pr) * & exp(-(3.556e+04_pr) / (8.314_pr * Tloc)) FC160f = (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(r160f) = & getlindratecoeff & (Tloc, k160f_0, k160f_inf, FC160f, M(mM28), Ploc) k(r161f) = (1.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(3.347e+04_pr) / (8.314_pr * Tloc)) k(r162) = (2.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(1.674e+04_pr) / (8.314_pr * Tloc)) k(r163) = (1.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(8.368e+03_pr) / (8.314_pr * Tloc)) k(r164) = (2.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(1.674e+04_pr) / (8.314_pr * Tloc)) k(r165) = (1.80000000e+04_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r166) = (9.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r167) = (7.80000000e+41_pr) * Tloc**(-9.147_pr) * & exp(-(1.962e+05_pr) / (8.314_pr * Tloc)) k(r168f) = (1.40000000e+05_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r169f) = (1.50000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r172) = (8.00000000e+05_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r173) = (3.00000000e+04_pr) * Tloc**(0.000_pr) * & exp(-(1.200e+04_pr) / (8.314_pr * Tloc)) k(r174) = (2.50000000e+06_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r175) = (2.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r177) = (1.00000000e+00_pr) * Tloc**(2.000_pr) * & exp(-(4.180e+02_pr) / (8.314_pr * Tloc)) k(r178) = (1.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(9.414e+03_pr) / (8.314_pr * Tloc)) k(r179) = (1.30000000e+00_pr) * Tloc**(2.000_pr) * & exp(-(2.301e+04_pr) / (8.314_pr * Tloc)) k(r180) = (1.80000000e+06_pr) * Tloc**(0.000_pr) * & exp(-(3.222e+04_pr) / (8.314_pr * Tloc)) k(r181) = (7.30000000e+06_pr) * Tloc**(0.000_pr) * & exp(-(9.414e+03_pr) / (8.314_pr * Tloc)) k(r183) = (2.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r184) = (5.00000000e+06_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r185) = (3.34000000e+06_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r186) = (6.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r187) = (5.70200000e+30_pr) * Tloc**(-6.299_pr) * & exp(-(1.552e+05_pr) / (8.314_pr * Tloc)) k(r188) = (9.65000000e+29_pr) * Tloc**(-5.932_pr) * & exp(-(1.835e+05_pr) / (8.314_pr * Tloc)) k(r189f) = (2.66000000e+06_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k190f_0 = (3.91000000e+48_pr) * Tloc**(-12.810_pr) * & exp(-(2.615e+04_pr) / (8.314_pr * Tloc)) k190f_inf = (1.00000000e+08_pr) * Tloc**(-0.320_pr) * & exp(-(-1.097e+03_pr) / (8.314_pr * Tloc)) FC190f = (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(r190f) = & getlindratecoeff & (Tloc, k190f_0, k190f_inf, FC190f, M(mM42), Ploc) k191f_0 = (1.33000000e+48_pr) * Tloc**(-12.000_pr) * & exp(-(2.497e+04_pr) / (8.314_pr * Tloc)) k191f_inf = (2.00000000e+08_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) FC191f = (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(r191f) = & getlindratecoeff & (Tloc, k191f_0, k191f_inf, FC191f, M(mM41), Ploc) k(r192) = (6.60000000e+06_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r194f) = (2.14000000e+00_pr) * Tloc**(2.000_pr) * & exp(-(1.162e+04_pr) / (8.314_pr * Tloc)) k(r195) = (1.80000000e+05_pr) * Tloc**(0.700_pr) * & exp(-(2.460e+04_pr) / (8.314_pr * Tloc)) k(r196) = (1.21000000e+05_pr) * Tloc**(0.700_pr) * & exp(-(3.749e+04_pr) / (8.314_pr * Tloc)) k(r197f) = (8.04000000e-01_pr) * Tloc**(2.500_pr) * & exp(-(5.139e+04_pr) / (8.314_pr * Tloc)) k(r198f) = (8.00000000e+15_pr) * Tloc**(-2.390_pr) * & exp(-(4.678e+04_pr) / (8.314_pr * Tloc)) k(r199) = (3.50000000e+01_pr) * Tloc**(1.650_pr) * & exp(-(-4.067e+03_pr) / (8.314_pr * Tloc)) k(r200) = (3.10000000e+00_pr) * Tloc**(2.000_pr) * & exp(-(-1.247e+03_pr) / (8.314_pr * Tloc)) k(r201) = (9.60000000e-03_pr) * Tloc**(2.600_pr) * & exp(-(5.820e+04_pr) / (8.314_pr * Tloc)) k(r202) = (2.20000000e-06_pr) * Tloc**(3.500_pr) * & exp(-(2.374e+04_pr) / (8.314_pr * Tloc)) k(r203) = (8.00000000e+01_pr) * Tloc**(1.650_pr) * & exp(-(1.368e+03_pr) / (8.314_pr * Tloc)) k(r204f) = (1.73000000e-01_pr) * Tloc**(2.500_pr) * & exp(-(1.042e+04_pr) / (8.314_pr * Tloc)) k205f_0 = (6.26000000e+26_pr) * Tloc**(-6.660_pr) * & exp(-(2.929e+04_pr) / (8.314_pr * Tloc)) k205f_inf = (1.33000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(1.364e+04_pr) / (8.314_pr * Tloc)) FC205f = (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(r205f) = & getlindratecoeff & (Tloc, k205f_0, k205f_inf, FC205f, M(mM43), Ploc) k(r206f) = (9.00000000e+04_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r207) = (2.40000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r208) = (9.60000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r209) = (3.70000000e+18_pr) * Tloc**(-2.920_pr) * & exp(-(5.232e+04_pr) / (8.314_pr * Tloc)) k(r210) = (2.40000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r211) = (1.10000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r212) = (6.60000000e+06_pr) * Tloc**(0.000_pr) * & exp(-(-1.715e+03_pr) / (8.314_pr * Tloc)) k(r213) = (6.00000000e+02_pr) * Tloc**(1.450_pr) * & exp(-(-3.598e+03_pr) / (8.314_pr * Tloc)) k(r214) = (3.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r215) = (4.17200000e+28_pr) * Tloc**(-6.353_pr) * & exp(-(4.550e+04_pr) / (8.314_pr * Tloc)) k(r216f) = (3.10000000e+20_pr) * Tloc**(-3.350_pr) * & exp(-(7.290e+04_pr) / (8.314_pr * Tloc)) k(r217) = (1.07600000e+05_pr) * Tloc**(0.297_pr) * & exp(-(2.501e+04_pr) / (8.314_pr * Tloc)) k(r218) = (9.99900000e+54_pr) * Tloc**(-12.958_pr) * & exp(-(2.958e+05_pr) / (8.314_pr * Tloc)) k(r219) = (3.38400000e+25_pr) * Tloc**(-4.590_pr) * & exp(-(1.283e+05_pr) / (8.314_pr * Tloc)) k(r220) = (1.90200000e+54_pr) * Tloc**(-12.527_pr) * & exp(-(2.683e+05_pr) / (8.314_pr * Tloc)) k(r221) = (2.16000000e+04_pr) * Tloc**(0.000_pr) * & exp(-(1.046e+04_pr) / (8.314_pr * Tloc)) k(r222) = (4.00000000e+06_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r223) = (6.60000000e+06_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r224) = (2.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(8.368e+03_pr) / (8.314_pr * Tloc)) k(r225f) = (5.00000000e+08_pr) * Tloc**(0.000_pr) * & exp(-(1.046e+05_pr) / (8.314_pr * Tloc)) k(r226f) = (1.50000000e+67_pr) * Tloc**(-16.890_pr) * & exp(-(2.473e+05_pr) / (8.314_pr * Tloc)) k(r227) = (3.10000000e+00_pr) * Tloc**(2.000_pr) * & exp(-(1.799e+03_pr) / (8.314_pr * Tloc)) k(r228) = (1.00000000e+08_pr) * Tloc**(0.000_pr) * & exp(-(8.284e+04_pr) / (8.314_pr * Tloc)) k(r229f) = (1.46000000e+24_pr) * Tloc**(-4.340_pr) * & exp(-(9.057e+04_pr) / (8.314_pr * Tloc)) k(r230) = (7.50000000e+00_pr) * Tloc**(1.900_pr) * & exp(-(1.565e+04_pr) / (8.314_pr * Tloc)) k(r231f) = (6.65000000e-01_pr) * Tloc**(2.530_pr) * & exp(-(3.866e+04_pr) / (8.314_pr * Tloc)) k(r232) = (1.10000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r233) = (2.00000000e+15_pr) * Tloc**(-2.000_pr) * & exp(-(4.602e+04_pr) / (8.314_pr * Tloc)) k(r234f) = (2.48000000e+53_pr) * Tloc**(-12.300_pr) * & exp(-(2.176e+05_pr) / (8.314_pr * Tloc)) k(r235) = (2.40000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k(r236) = (1.20500000e+47_pr) * Tloc**(-10.519_pr) * & exp(-(2.119e+05_pr) / (8.314_pr * Tloc)) k(r237) = (1.00000000e+05_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) k238_0 = (3.01000000e+36_pr) * Tloc**(-9.320_pr) * & exp(-(2.441e+04_pr) / (8.314_pr * Tloc)) k238_inf = (3.60000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) FC238 = (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(r238) = & getlindratecoeff & (Tloc, k238_0, k238_inf, FC238, M(mM47), Ploc) k(r239f) = (1.60000000e+16_pr) * Tloc**(-2.390_pr) * & exp(-(4.678e+04_pr) / (8.314_pr * Tloc)) k(r240f) = (3.20000000e+16_pr) * Tloc**(-2.390_pr) * & exp(-(4.678e+04_pr) / (8.314_pr * Tloc)) k(r241f) = (6.50000000e-01_pr) * Tloc**(2.540_pr) * & exp(-(2.827e+04_pr) / (8.314_pr * Tloc)) k(r242) = (3.30000000e+02_pr) * Tloc**(1.450_pr) * & exp(-(-1.682e+03_pr) / (8.314_pr * Tloc)) k(r243) = (7.00000000e-04_pr) * Tloc**(2.660_pr) * & exp(-(2.205e+03_pr) / (8.314_pr * Tloc)) k(r244) = (1.00000000e+06_pr) * Tloc**(0.000_pr) * & exp(-(6.000e+04_pr) / (8.314_pr * Tloc)) k(r245) = (1.50000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(2.410e+04_pr) / (8.314_pr * Tloc)) k(r246) = (4.50000000e-07_pr) * Tloc**(3.650_pr) * & exp(-(2.993e+04_pr) / (8.314_pr * Tloc)) k(r247) = (2.60000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(1.870e+04_pr) / (8.314_pr * Tloc)) k(r248) = (1.00000000e+01_pr) * Tloc**(2.000_pr) * & exp(-(8.368e+03_pr) / (8.314_pr * Tloc)) k(r249) = (5.00000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(1.255e+04_pr) / (8.314_pr * Tloc)) k(r250) = (7.24000000e+22_pr) * Tloc**(-1.940_pr) * & exp(-(3.158e+05_pr) / (8.314_pr * Tloc)) k(r251) = (1.60000000e+16_pr) * Tloc**(-2.390_pr) * & exp(-(4.678e+04_pr) / (8.314_pr * Tloc)) k(r252) = (8.00000000e+15_pr) * Tloc**(-2.390_pr) * & exp(-(4.678e+04_pr) / (8.314_pr * Tloc)) k(r253) = (5.40000000e-02_pr) * Tloc**(2.500_pr) * & exp(-(-7.950e+03_pr) / (8.314_pr * Tloc)) k(r254) = (1.24400000e+87_pr) * Tloc**(-20.382_pr) * & exp(-(5.392e+05_pr) / (8.314_pr * Tloc)) k(r255) = (2.00000000e+05_pr) * Tloc**(1.100_pr) * & exp(-(1.025e+05_pr) / (8.314_pr * Tloc)) k(r256f) = (3.89000000e-09_pr) * Tloc**(4.570_pr) * & exp(-(2.199e+04_pr) / (8.314_pr * Tloc)) k257f_0 = (1.00000000e+78_pr) * Tloc**(-18.870_pr) * & exp(-(3.768e+05_pr) / (8.314_pr * Tloc)) k257f_inf = (4.30000000e+12_pr) * Tloc**(0.616_pr) * & exp(-(3.235e+05_pr) / (8.314_pr * Tloc)) FC257f = (9.800e-02_pr) * & exp(-Tloc / (6.960e+02_pr)) + (9.020e-01_pr) * & exp(-Tloc / (3.580e+02_pr)) + (1.000e+00_pr) * & exp(-(3.856e+03_pr) / Tloc) k(r257f) = & getlindratecoeff & (Tloc, k257f_0, k257f_inf, FC257f, M(mM66), Ploc) k(r258f) = (5.70700000e-02_pr) * Tloc**(2.430_pr) * & exp(-(2.625e+04_pr) / (8.314_pr * Tloc)) k(r259) = (1.38000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(1.920e+02_pr) / (8.314_pr * Tloc)) k260_0 = (6.60000000e+63_pr) * Tloc**(-16.300_pr) * & exp(-(2.929e+04_pr) / (8.314_pr * Tloc)) k260_inf = (1.00000000e+08_pr) * Tloc**(0.000_pr) * & exp(-(0.000e+00_pr) / (8.314_pr * Tloc)) FC260 = (0.000e+00_pr) * & exp(-Tloc / (1.000e-01_pr)) + (1.000e+00_pr) * & exp(-Tloc / (5.849e+02_pr)) + (1.000e+00_pr) * & exp(-(6.113e+03_pr) / Tloc) k(r260) = & getlindratecoeff & (Tloc, k260_0, k260_inf, FC260, M(mM65), Ploc) k(r261f) = (3.98500000e-01_pr) * Tloc**(2.286_pr) * & exp(-(4.427e+03_pr) / (8.314_pr * Tloc)) k(r262) = (1.60000000e+16_pr) * Tloc**(-2.390_pr) * & exp(-(4.678e+04_pr) / (8.314_pr * Tloc)) k(r263) = (3.30000000e+02_pr) * Tloc**(1.450_pr) * & exp(-(-1.682e+03_pr) / (8.314_pr * Tloc)) k(r264) = (5.40000000e-02_pr) * Tloc**(2.500_pr) * & exp(-(-7.950e+03_pr) / (8.314_pr * Tloc)) k(r265) = (1.07000000e+23_pr) * Tloc**(-2.030_pr) * & exp(-(3.136e+05_pr) / (8.314_pr * Tloc)) k(r266f) = (1.93000000e+00_pr) * Tloc**(2.170_pr) * & exp(-(1.742e+04_pr) / (8.314_pr * Tloc)) k(r267f) = (5.27000000e+14_pr) * Tloc**(0.000_pr) * & exp(-(1.214e+05_pr) / (8.314_pr * Tloc)) k(r268) = (7.80000000e+00_pr) * Tloc**(2.400_pr) * & exp(-(1.871e+04_pr) / (8.314_pr * Tloc)) k(r269) = (6.00000000e+00_pr) * Tloc**(2.000_pr) * & exp(-(-2.494e+03_pr) / (8.314_pr * Tloc)) k(r270) = (4.76000000e-02_pr) * Tloc**(2.550_pr) * & exp(-(6.899e+04_pr) / (8.314_pr * Tloc)) k(r271) = (5.20000000e+00_pr) * Tloc**(2.400_pr) * & exp(-(1.871e+04_pr) / (8.314_pr * Tloc)) k(r272) = (1.30000000e+00_pr) * Tloc**(2.540_pr) * & exp(-(2.827e+04_pr) / (8.314_pr * Tloc)) k(r273) = (4.00000000e+26_pr) * Tloc**(-2.660_pr) * & exp(-(3.698e+05_pr) / (8.314_pr * Tloc)) k(r274) = (1.40000000e+01_pr) * Tloc**(1.800_pr) * & exp(-(4.075e+03_pr) / (8.314_pr * Tloc)) k(r275) = (2.40000000e+08_pr) * Tloc**(0.000_pr) * & exp(-(1.991e+05_pr) / (8.314_pr * Tloc)) k(r276) = (6.00000000e-06_pr) * Tloc**(3.460_pr) * & exp(-(2.293e+04_pr) / (8.314_pr * Tloc)) k(r277) = (2.50000000e+00_pr) * Tloc**(2.400_pr) * & exp(-(2.303e+04_pr) / (8.314_pr * Tloc)) k(r278) = (9.03000000e-07_pr) * Tloc**(3.650_pr) * & exp(-(2.993e+04_pr) / (8.314_pr * Tloc)) k(r279) = (8.53000000e+23_pr) * Tloc**(-2.030_pr) * & exp(-(3.767e+05_pr) / (8.314_pr * Tloc)) k(r280) = (6.90000000e-01_pr) * Tloc**(2.600_pr) * & exp(-(7.397e+03_pr) / (8.314_pr * Tloc)) k(r281) = (5.70000000e-02_pr) * Tloc**(2.600_pr) * & exp(-(5.820e+04_pr) / (8.314_pr * Tloc)) k(r282) = (4.00000000e+00_pr) * Tloc**(2.000_pr) * & exp(-(-2.494e+03_pr) / (8.314_pr * Tloc)) k(r283) = (3.80000000e-02_pr) * Tloc**(2.600_pr) * & exp(-(5.820e+04_pr) / (8.314_pr * Tloc)) k(r284) = (7.88000000e+25_pr) * Tloc**(-2.650_pr) * & exp(-(3.698e+05_pr) / (8.314_pr * Tloc)) k(r285) = (5.64000000e+26_pr) * Tloc**(-2.680_pr) * & exp(-(3.689e+05_pr) / (8.314_pr * Tloc)) k(r286) = (9.00000000e-06_pr) * Tloc**(3.460_pr) * & exp(-(2.293e+04_pr) / (8.314_pr * Tloc)) k(r287) = (4.60000000e-01_pr) * Tloc**(2.600_pr) * & exp(-(7.397e+03_pr) / (8.314_pr * Tloc)) k(r288f) = (1.50000000e+07_pr) * Tloc**(0.000_pr) * & exp(-(2.510e+03_pr) / (8.314_pr * Tloc)) k(r2b) = (2.79849288e-02_pr) * Tloc**(2.66_pr) * & exp(-(2.0111e+04_pr) / (8.314_pr * Tloc)) k3b_0 = (8.69140321e+16_pr) * Tloc**(-1.63_pr) * & exp(-(2.0527e+05_pr) / (8.314_pr * Tloc)) k3b_inf = (4.79973013e+19_pr) * Tloc**(-1.42_pr) * & exp(-(2.1486e+05_pr) / (8.314_pr * Tloc)) FC3b = (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(r3b) = & getlindratecoeff & (Tloc, k3b_0, k3b_inf, FC3b, M(mM6), Ploc) k(r4b) = (8.12610562e-01_pr) * Tloc**(2.32_pr) * & exp(-(6.0378e+04_pr) / (8.314_pr * Tloc)) k(r5b) = (2.16281384e+03_pr) * Tloc**(1.39_pr) * & exp(-(7.7478e+04_pr) / (8.314_pr * Tloc)) k(r6b) = (1.48238493e+17_pr) * Tloc**(-1.79_pr) * & exp(-(4.9633e+05_pr) / (8.314_pr * Tloc)) k(r7b) = (5.40147158e+07_pr) * Tloc**(-0.24_pr) * & exp(-(5.0578e+02_pr) / (8.314_pr * Tloc)) k(r8b) = (3.90560892e+00_pr) * Tloc**(2.06_pr) * & exp(-(-4.4845e+03_pr) / (8.314_pr * Tloc)) k9b_0 = (1.12840584e+14_pr) * Tloc**(-1.44_pr) * & exp(-(2.0482e+05_pr) / (8.314_pr * Tloc)) k9b_inf = (9.12282601e+12_pr) * Tloc**(0.40_pr) * & exp(-(2.0482e+05_pr) / (8.314_pr * Tloc)) FC9b = (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(r9b) = & getlindratecoeff & (Tloc, k9b_0, k9b_inf, FC9b, M(mM5), Ploc) k(r15b) = (1.41249855e+04_pr) * Tloc**(0.77_pr) * & exp(-(1.5275e+05_pr) / (8.314_pr * Tloc)) k(r19b) = (4.74223618e+06_pr) * Tloc**(2.25_pr) * & exp(-(4.5891e+05_pr) / (8.314_pr * Tloc)) k(r20b) = (1.10237544e+34_pr) * Tloc**(-6.51_pr) * & exp(-(2.8726e+05_pr) / (8.314_pr * Tloc)) k(r24b) = (1.74591685e+03_pr) * Tloc**(1.50_pr) * & exp(-(-4.3667e+03_pr) / (8.314_pr * Tloc)) k(r30b) = (2.59168353e+02_pr) * Tloc**(1.46_pr) * & exp(-(6.1349e+04_pr) / (8.314_pr * Tloc)) k(r32b) = (8.93660482e+00_pr) * Tloc**(2.17_pr) * & exp(-(8.7031e+04_pr) / (8.314_pr * Tloc)) k(r34b) = (2.54675958e+10_pr) * Tloc**(-0.60_pr) * & exp(-(6.8380e+04_pr) / (8.314_pr * Tloc)) k(r37b) = (2.10571310e+07_pr) * Tloc**(-0.06_pr) * & exp(-(3.7280e+04_pr) / (8.314_pr * Tloc)) k(r40b) = (2.13924431e-01_pr) * Tloc**(2.51_pr) * & exp(-(9.7842e+04_pr) / (8.314_pr * Tloc)) k45b_0 = (4.90122082e+52_pr) * Tloc**(-11.11_pr) * & exp(-(4.1109e+05_pr) / (8.314_pr * Tloc)) k45b_inf = (5.87038879e+24_pr) * Tloc**(-2.41_pr) * & exp(-(3.8767e+05_pr) / (8.314_pr * Tloc)) FC45b = (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(r45b) = & getlindratecoeff & (Tloc, k45b_0, k45b_inf, FC45b, M(mM19), Ploc) k(r46b) = (8.07196807e+11_pr) * Tloc**(-1.08_pr) * & exp(-(7.5270e+03_pr) / (8.314_pr * Tloc)) k(r47b) = (8.57420435e+05_pr) * Tloc**(0.48_pr) * & exp(-(-5.2521e+03_pr) / (8.314_pr * Tloc)) k(r48b) = (1.34755379e+00_pr) * Tloc**(2.02_pr) * & exp(-(5.4708e+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(r54b) = (2.35808926e-01_pr) * Tloc**(2.03_pr) * & exp(-(2.0564e+04_pr) / (8.314_pr * Tloc)) k(r56b) = (2.50206078e-01_pr) * Tloc**(2.19_pr) * & exp(-(3.6023e+04_pr) / (8.314_pr * Tloc)) k(r57b) = (4.72850625e-01_pr) * Tloc**(2.05_pr) * & exp(-(6.6840e+04_pr) / (8.314_pr * Tloc)) k58b_0 = (1.17741474e+36_pr) * Tloc**(-6.88_pr) * & exp(-(3.6665e+05_pr) / (8.314_pr * Tloc)) k58b_inf = (3.54537524e+20_pr) * Tloc**(-1.27_pr) * & exp(-(3.5584e+05_pr) / (8.314_pr * Tloc)) FC58b = (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(r58b) = & getlindratecoeff & (Tloc, k58b_0, k58b_inf, FC58b, M(mM13), Ploc) k59b_0 = (1.21476956e+29_pr) * Tloc**(-5.18_pr) * & exp(-(3.2076e+05_pr) / (8.314_pr * Tloc)) k59b_inf = (2.25793598e+20_pr) * Tloc**(-1.44_pr) * & exp(-(3.1266e+05_pr) / (8.314_pr * Tloc)) FC59b = (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(r59b) = & getlindratecoeff & (Tloc, k59b_0, k59b_inf, FC59b, M(mM10), Ploc) k(r62b) = (3.14483145e+13_pr) * Tloc**(-1.94_pr) * & exp(-(1.0907e+05_pr) / (8.314_pr * Tloc)) k(r63b) = (6.31713929e+06_pr) * Tloc**(-0.06_pr) * & exp(-(3.7280e+04_pr) / (8.314_pr * Tloc)) k(r64b) = (3.84896342e+05_pr) * Tloc**(0.78_pr) * & exp(-(1.0620e+05_pr) / (8.314_pr * Tloc)) k(r65b) = (3.49156441e+05_pr) * Tloc**(-0.74_pr) * & exp(-(5.2287e+03_pr) / (8.314_pr * Tloc)) k(r67b) = (2.90963701e+04_pr) * Tloc**(-0.74_pr) * & exp(-(5.2287e+03_pr) / (8.314_pr * Tloc)) k(r84b) = (4.91333056e+06_pr) * Tloc**(-0.06_pr) * & exp(-(3.7280e+04_pr) / (8.314_pr * Tloc)) k(r85b) = (1.45914702e+03_pr) * Tloc**(1.90_pr) * & exp(-(1.2574e+05_pr) / (8.314_pr * Tloc)) k(r89b) = (2.77895476e+08_pr) * Tloc**(0.03_pr) * & exp(-(3.3490e+04_pr) / (8.314_pr * Tloc)) k(r92b) = (4.64512042e+42_pr) * Tloc**(-9.42_pr) * & exp(-(1.6943e+05_pr) / (8.314_pr * Tloc)) k(r94b) = (4.20494281e+01_pr) * Tloc**(1.84_pr) * & exp(-(8.9632e+04_pr) / (8.314_pr * Tloc)) k(r95b) = (9.42021919e+09_pr) * Tloc**(-0.85_pr) * & exp(-(-8.3715e+03_pr) / (8.314_pr * Tloc)) k(r96b) = (1.41155230e-01_pr) * Tloc**(2.48_pr) * & exp(-(-1.6853e+03_pr) / (8.314_pr * Tloc)) k(r99b) = (7.81510542e+13_pr) * Tloc**(-1.27_pr) * & exp(-(1.1458e+05_pr) / (8.314_pr * Tloc)) k100b_0 = (2.85550317e+62_pr) * Tloc**(-14.37_pr) * & exp(-(3.8991e+05_pr) / (8.314_pr * Tloc)) k100b_inf = (7.13875793e+13_pr) * Tloc**(0.29_pr) * & exp(-(3.4884e+05_pr) / (8.314_pr * Tloc)) FC100b = (2.000e-02_pr) * & exp(-Tloc / (5.600e+01_pr)) + (9.800e-01_pr) * & exp(-Tloc / (5.800e+02_pr)) + (1.000e+00_pr) * & exp(-(4.164e+03_pr) / Tloc) k(r100b) = & getlindratecoeff & (Tloc, k100b_0, k100b_inf, FC100b, M(mM27), Ploc) k101b_0 = (5.01809264e+06_pr) * Tloc**(-0.09_pr) * & exp(-(1.9611e+04_pr) / (8.314_pr * Tloc)) k101b_inf = (1.63856086e+12_pr) * Tloc**(0.03_pr) * & exp(-(2.4011e+04_pr) / (8.314_pr * Tloc)) FC101b = + (1.000e+00_pr) * & exp(-(0.000e+00_pr) / Tloc) k(r101b) = & getlindratecoeff & (Tloc, k101b_0, k101b_inf, FC101b, M(mM23), Ploc) k(r102b) = (4.88233314e+10_pr) * Tloc**(-0.55_pr) * & exp(-(1.8829e+05_pr) / (8.314_pr * Tloc)) k(r108b) = (5.34069382e+26_pr) * Tloc**(-4.71_pr) * & exp(-(1.4189e+05_pr) / (8.314_pr * Tloc)) k111b_0 = (8.94538033e+15_pr) * Tloc**(-3.54_pr) * & exp(-(2.8311e+03_pr) / (8.314_pr * Tloc)) k111b_inf = (1.34616640e+03_pr) * Tloc**(1.48_pr) * & exp(-(8.0311e+03_pr) / (8.314_pr * Tloc)) FC111b = (-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(r111b) = & getlindratecoeff & (Tloc, k111b_0, k111b_inf, FC111b, M(mM24), Ploc) k(r112b) = (2.91385970e+18_pr) * Tloc**(-3.04_pr) * & exp(-(6.7972e+04_pr) / (8.314_pr * Tloc)) k(r116b) = (8.33326313e+00_pr) * Tloc**(1.43_pr) * & exp(-(5.6248e+04_pr) / (8.314_pr * Tloc)) k117b_0 = (6.15094823e+61_pr) * Tloc**(-13.48_pr) * & exp(-(4.7310e+05_pr) / (8.314_pr * Tloc)) k117b_inf = (3.60125775e+22_pr) * Tloc**(-1.54_pr) * & exp(-(4.3222e+05_pr) / (8.314_pr * Tloc)) FC117b = (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(r117b) = & getlindratecoeff & (Tloc, k117b_0, k117b_inf, FC117b, M(mM30), Ploc) k(r121b) = (2.25429839e+15_pr) * Tloc**(-1.97_pr) * & exp(-(9.8830e+04_pr) / (8.314_pr * Tloc)) k(r122b) = (1.28467552e+15_pr) * Tloc**(-1.91_pr) * & exp(-(8.6650e+04_pr) / (8.314_pr * Tloc)) k124b_0 = (4.68543999e+33_pr) * Tloc**(-6.79_pr) * & exp(-(1.7563e+05_pr) / (8.314_pr * Tloc)) k124b_inf = (3.15984039e+09_pr) * Tloc**(1.31_pr) * & exp(-(1.5715e+05_pr) / (8.314_pr * Tloc)) FC124b = (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(r124b) = & getlindratecoeff & (Tloc, k124b_0, k124b_inf, FC124b, M(mM36), Ploc) k(r126b) = (3.20500095e-03_pr) * Tloc**(2.37_pr) * & exp(-(-2.3972e+04_pr) / (8.314_pr * Tloc)) k(r127b) = (1.76462743e-02_pr) * Tloc**(2.41_pr) * & exp(-(2.0637e+04_pr) / (8.314_pr * Tloc)) k(r128b) = (1.56285114e-02_pr) * Tloc**(2.39_pr) * & exp(-(4.0044e+04_pr) / (8.314_pr * Tloc)) k(r132b) = (2.44940059e+18_pr) * Tloc**(-1.67_pr) * & exp(-(1.3826e+05_pr) / (8.314_pr * Tloc)) k(r133b) = (2.08409256e-01_pr) * Tloc**(1.94_pr) * & exp(-(1.4284e+04_pr) / (8.314_pr * Tloc)) k(r136b) = (1.54288025e+04_pr) * Tloc**(0.11_pr) * & exp(-(5.3336e+04_pr) / (8.314_pr * Tloc)) k(r142b) = (1.81461290e-02_pr) * Tloc**(2.48_pr) * & exp(-(4.2820e+04_pr) / (8.314_pr * Tloc)) k(r147b) = (4.94724210e+01_pr) * Tloc**(1.45_pr) * & exp(-(1.7907e+04_pr) / (8.314_pr * Tloc)) k(r149b) = (1.34398568e+02_pr) * Tloc**(1.54_pr) * & exp(-(7.1907e+04_pr) / (8.314_pr * Tloc)) k(r155b) = (2.26201140e+07_pr) * Tloc**(0.20_pr) * & exp(-(1.6576e+05_pr) / (8.314_pr * Tloc)) k(r156b) = (3.27083396e+04_pr) * Tloc**(0.62_pr) * & exp(-(2.0516e+04_pr) / (8.314_pr * Tloc)) k(r158b) = (6.11955446e+04_pr) * Tloc**(0.50_pr) * & exp(-(5.8541e+04_pr) / (8.314_pr * Tloc)) k(r159b) = (4.79804484e-04_pr) * Tloc**(2.99_pr) * & exp(-(1.3859e+05_pr) / (8.314_pr * Tloc)) k160b_0 = (4.89146442e+35_pr) * Tloc**(-7.63_pr) * & exp(-(2.0537e+05_pr) / (8.314_pr * Tloc)) k160b_inf = (4.24785068e+14_pr) * Tloc**(-0.05_pr) * & exp(-(1.9114e+05_pr) / (8.314_pr * Tloc)) FC160b = (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(r160b) = & getlindratecoeff & (Tloc, k160b_0, k160b_inf, FC160b, M(mM28), Ploc) k(r161b) = (3.98928113e+03_pr) * Tloc**(0.58_pr) * & exp(-(1.4437e+04_pr) / (8.314_pr * Tloc)) k(r168b) = (1.93941875e+05_pr) * Tloc**(-0.05_pr) * & exp(-(4.9238e+04_pr) / (8.314_pr * Tloc)) k(r169b) = (1.00806183e+15_pr) * Tloc**(0.10_pr) * & exp(-(3.8008e+05_pr) / (8.314_pr * Tloc)) k(r189b) = (6.03518455e+06_pr) * Tloc**(0.38_pr) * & exp(-(1.6341e+05_pr) / (8.314_pr * Tloc)) k190b_0 = (5.86829676e+61_pr) * Tloc**(-14.13_pr) * & exp(-(3.5027e+05_pr) / (8.314_pr * Tloc)) k190b_inf = (1.50084316e+21_pr) * Tloc**(-1.64_pr) * & exp(-(3.2302e+05_pr) / (8.314_pr * Tloc)) FC190b = (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(r190b) = & getlindratecoeff & (Tloc, k190b_0, k190b_inf, FC190b, M(mM42), Ploc) k191b_0 = (5.38095569e+54_pr) * Tloc**(-11.66_pr) * & exp(-(3.9320e+05_pr) / (8.314_pr * Tloc)) k191b_inf = (8.09166270e+14_pr) * Tloc**(0.34_pr) * & exp(-(3.6823e+05_pr) / (8.314_pr * Tloc)) FC191b = (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(r191b) = & getlindratecoeff & (Tloc, k191b_0, k191b_inf, FC191b, M(mM41), Ploc) k(r194b) = (2.53376499e-01_pr) * Tloc**(1.96_pr) * & exp(-(4.2538e+04_pr) / (8.314_pr * Tloc)) k(r197b) = (7.63200347e-03_pr) * Tloc**(2.58_pr) * & exp(-(1.9180e+04_pr) / (8.314_pr * Tloc)) k(r198b) = (4.30991785e+09_pr) * Tloc**(-1.03_pr) * & exp(-(8.1307e+04_pr) / (8.314_pr * Tloc)) k(r204b) = (1.15498567e-02_pr) * Tloc**(2.49_pr) * & exp(-(7.5397e+04_pr) / (8.314_pr * Tloc)) k205b_0 = (2.50322114e+33_pr) * Tloc**(-6.97_pr) * & exp(-(1.6986e+05_pr) / (8.314_pr * Tloc)) k205b_inf = (5.31834523e+13_pr) * Tloc**(-0.31_pr) * & exp(-(1.5421e+05_pr) / (8.314_pr * Tloc)) FC205b = (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(r205b) = & getlindratecoeff & (Tloc, k205b_0, k205b_inf, FC205b, M(mM43), Ploc) k(r206b) = (4.01343729e+04_pr) * Tloc**(0.27_pr) * & exp(-(6.4250e+04_pr) / (8.314_pr * Tloc)) k(r216b) = (2.02344039e+24_pr) * Tloc**(-4.74_pr) * & exp(-(8.0474e+04_pr) / (8.314_pr * Tloc)) k(r225b) = (1.77387396e+13_pr) * Tloc**(0.71_pr) * & exp(-(3.4629e+05_pr) / (8.314_pr * Tloc)) k(r226b) = (2.29806621e+63_pr) * Tloc**(-15.50_pr) * & exp(-(2.3973e+05_pr) / (8.314_pr * Tloc)) k(r229b) = (2.27326071e+15_pr) * Tloc**(-2.42_pr) * & exp(-(6.1395e+04_pr) / (8.314_pr * Tloc)) k(r231b) = (8.95500561e-04_pr) * Tloc**(2.83_pr) * & exp(-(4.7014e+04_pr) / (8.314_pr * Tloc)) k(r234b) = (1.04701456e+48_pr) * Tloc**(-12.17_pr) * & exp(-(9.4406e+04_pr) / (8.314_pr * Tloc)) k(r239b) = (3.75880973e+08_pr) * Tloc**(-0.55_pr) * & exp(-(8.8596e+04_pr) / (8.314_pr * Tloc)) k(r240b) = (8.62625799e+09_pr) * Tloc**(-0.73_pr) * & exp(-(9.0892e+04_pr) / (8.314_pr * Tloc)) k(r241b) = (3.49779795e-04_pr) * Tloc**(2.99_pr) * & exp(-(3.7427e+04_pr) / (8.314_pr * Tloc)) k(r256b) = (2.74399804e-08_pr) * Tloc**(4.40_pr) * & exp(-(5.4097e+04_pr) / (8.314_pr * Tloc)) k257b_0 = (3.71934205e+70_pr) * Tloc**(-18.85_pr) * & exp(-(5.0364e+04_pr) / (8.314_pr * Tloc)) k257b_inf = (1.59931708e+05_pr) * Tloc**(0.64_pr) * & exp(-(-2.9362e+03_pr) / (8.314_pr * Tloc)) FC257b = (9.800e-02_pr) * & exp(-Tloc / (6.960e+02_pr)) + (9.020e-01_pr) * & exp(-Tloc / (3.580e+02_pr)) + (1.000e+00_pr) * & exp(-(3.856e+03_pr) / Tloc) k(r257b) = & getlindratecoeff & (Tloc, k257b_0, k257b_inf, FC257b, M(mM66), Ploc) k(r258b) = (1.06191107e+03_pr) * Tloc**(1.70_pr) * & exp(-(6.7694e+04_pr) / (8.314_pr * Tloc)) k(r261b) = (2.67127191e-04_pr) * Tloc**(2.90_pr) * & exp(-(2.6110e+04_pr) / (8.314_pr * Tloc)) k(r266b) = (6.30840849e-06_pr) * Tloc**(3.49_pr) * & exp(-(5.0140e+04_pr) / (8.314_pr * Tloc)) k(r267b) = (5.29645551e-02_pr) * Tloc**(2.47_pr) * & exp(-(-2.5997e+03_pr) / (8.314_pr * Tloc)) k(r288b) = (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(27) :: m w(r1) = k(r1) * c(sO) * c(sH) * m(mM3) w(r2f) = k(r2f) * c(sO) * c(sH2) w(r3f) = k(r3f) * c(sOH)**2_pr w(r4f) = k(r4f) * c(sOH)**2_pr w(r5f) = k(r5f) * c(sOH) * c(sH2) w(r6f) = k(r6f) * c(sH) * c(sOH) * m(mM2) w(r7f) = k(r7f) * c(sH) * c(sO2) w(r8f) = k(r8f) * c(sH2) * c(sO2) w(r9f) = k(r9f) * c(sH) * c(sO2) w(r10) = k(r10) * c(sHO2)**2_pr w(r11) = k(r11) * c(sOH) * c(sHO2) w(r12) = k(r12) * c(sHO2) * c(sO) w(r13) = k(r13) * c(sHO2) * c(sH) w(r14) = k(r14) * c(sH2) * c(sHO2) w(r15f) = k(r15f) * c(sHO2) * c(sH) w(r16) = k(r16) * c(sOH) * c(sHO2) w(r17) = k(r17) * c(sHO2)**2_pr w(r18) = k(r18) * c(sOH) * c(sHO2) w(r19f) = k(r19f) * c(sOH) * c(sHO2) w(r20f) = k(r20f) * c(sH2O2) * c(sOH) w(r21) = k(r21) * c(sH2O2) * c(sOH) w(r22) = k(r22) * cqss(sCH - nspec) * c(sO) w(r23) = k(r23) * cqss(sCH - nspec) * c(sH2O) w(r24f) = k(r24f) * cqss(sCH - nspec) * c(sH2) w(r25) = k(r25) * cqss(sCH - nspec) * c(sO2) w(r26) = k(r26) * cqss(sCH - nspec) * c(sOH) w(r27) = k(r27) * cqss(sCH2 - nspec) * c(sO2) w(r28) = k(r28) * cqss(sCH2 - nspec) * c(sO) w(r29) = k(r29) * cqss(sCH2 - nspec) * c(sOH) w(r30f) = k(r30f) * cqss(sCH2 - nspec) * c(sH2) w(r31) = k(r31) * cqss(sCH2 - nspec) * c(sO2) w(r32f) = k(r32f) * cqss(sCH2 - nspec) * c(sOH) w(r33) = k(r33) * cqss(sCH2DXCH2 - nspec) * c(sO2) w(r34f) = k(r34f) * cqss(sCH2DXCH2 - nspec) * c(sH2) w(r35) = k(r35) * cqss(sCH2DXCH2 - nspec) * c(sO2) w(r36) = k(r36) * cqss(sCH2DXCH2 - nspec) * c(sOH) w(r37f) = k(r37f) * cqss(sCH2DXCH2 - nspec) * c(sH2O) w(r38) = k(r38) * cqss(sCH2DXCH2 - nspec) * c(sH) w(r39) = k(r39) * c(sCH3)**2_pr w(r40f) = k(r40f) * c(sCH3) * c(sH2O2) w(r41) = k(r41) * c(sCH3) * cqss(sCH2 - nspec) w(r42) = k(r42) * c(sCH3) * c(sO2) w(r43) = k(r43) * c(sCH3)**2_pr w(r44) = k(r44) * c(sCH3) * c(sHO2) w(r45f) = k(r45f) * c(sCH3)**2_pr w(r46f) = k(r46f) * c(sCH3)**2_pr w(r47f) = k(r47f) * c(sCH3) * c(sOH) w(r48f) = k(r48f) * c(sCH3) * c(sOH) w(r49) = k(r49) * c(sCH3) * c(sHO2) w(r50f) = k(r50f) * c(sCH3) * c(sH) w(r51) = k(r51) * c(sCH3) * c(sO) w(r52) = k(r52) * c(sCH3) * cqss(sCH - nspec) w(r53) = k(r53) * c(sCH3) * c(sO2) w(r54f) = k(r54f) * c(sCH4) * c(sO) w(r55) = k(r55) * c(sCH4) * cqss(sCH - nspec) w(r56f) = k(r56f) * c(sCH4) * c(sH) w(r57f) = k(r57f) * c(sCH4) * c(sOH) w(r58f) = k(r58f) * cqss(sCH2 - nspec) * c(sCO) w(r59f) = k(r59f) * cqss(sCH - nspec) * c(sCO) w(r60) = k(r60) * c(sCO) * c(sHO2) w(r61) = k(r61) * c(sCO) * c(sO) w(r62f) = k(r62f) * c(sCO) * c(sOH) w(r63f) = k(r63f) * cqss(sCH2DXCH2 - nspec) * c(sCO) w(r64f) = k(r64f) * c(sCO) * c(sOH) w(r65f) = k(r65f) * cqss(sHCO - nspec) * c(sH2O) w(r66) = k(r66) * cqss(sHCO - nspec) * c(sH) w(r67f) = k(r67f) * cqss(sHCO - nspec) * m(mM8) w(r68) = k(r68) * cqss(sHCO - nspec) * c(sO2) w(r69) = k(r69) * cqss(sHCO - nspec) * c(sO) w(r70) = k(r70) * cqss(sHCO - nspec) * c(sO) w(r71) = k(r71) * cqss(sHCO - nspec) * c(sOH) w(r72) = k(r72) * c(sCH3) * cqss(sHCO - nspec) w(r73) = k(r73) * c(sCH2O) * c(sOH) w(r74) = k(r74) * c(sCH2O) * c(sH) w(r75) = k(r75) * c(sCH2O) * c(sO2) w(r76) = k(r76) * c(sCH2O) * c(sHO2) w(r77) = k(r77) * c(sCH2O) * c(sO) w(r78) = k(r78) * c(sCH3) * c(sCH2O) w(r79) = k(r79) * cqss(sCH3O - nspec) * c(sO2) w(r80) = k(r80) * cqss(sCH3O - nspec) w(r81) = k(r81) * cqss(sCH3O - nspec) * c(sH) w(r82) = k(r82) * cqss(sCH2DXCH2 - nspec) * c(sCO2) w(r83) = k(r83) * cqss(sCH - nspec) * c(sCO2) w(r84f) = k(r84f) * cqss(sCH2DXCH2 - nspec) * c(sCO2) w(r85f) = k(r85f) * cqss(sC2H - nspec) * c(sH2) w(r86) = k(r86) * cqss(sC2H - nspec) * c(sO2) w(r87) = k(r87) * cqss(sC2H - nspec) * c(sOH) w(r88) = k(r88) * cqss(sC2H - nspec) * c(sO) w(r89f) = k(r89f) * c(sC2H2) * c(sCH3) w(r90) = k(r90) * c(sC2H2) * c(sOH) w(r91) = k(r91) * c(sC2H2) * cqss(sCH2DXCH2 - nspec) w(r92f) = k(r92f) * c(sC2H2) * c(sCH3) w(r93) = k(r93) * c(sC2H2) * cqss(sHCO - nspec) w(r94f) = k(r94f) * c(sC2H2) * c(sO) w(r95f) = k(r95f) * c(sC2H2) * c(sO) w(r96f) = k(r96f) * c(sC2H2) * c(sOH) w(r97) = k(r97) * c(sC2H2) * cqss(sCH2 - nspec) w(r98) = k(r98) * c(sC2H2) * c(sO) w(r99f) = k(r99f) * c(sC2H2) * cqss(sC2H - nspec) w(r100f) = k(r100f) * cqss(sH2CC - nspec) * c(sC2H2) w(r101f) = k(r101f) * c(sC2H2) w(r102f) = k(r102f) * cqss(sH2CC - nspec) * c(sH) w(r103) = k(r103) * cqss(sH2CC - nspec) * c(sOH) w(r104) = k(r104) * cqss(sH2CC - nspec) * c(sO2) w(r105) = k(r105) * cqss(sC2H3 - nspec) * c(sO) w(r106) = k(r106) * cqss(sC2H3 - nspec) * c(sH) w(r107) = k(r107) * cqss(sC2H3 - nspec) * c(sO2) w(r108f) = k(r108f) * cqss(sC2H3 - nspec) * c(sCH3) w(r109) = k(r109) * cqss(sC2H3 - nspec) * c(sO2) w(r110) = k(r110) * cqss(sC2H3 - nspec) * c(sOH) w(r111f) = k(r111f) * cqss(sC2H3 - nspec) w(r112f) = k(r112f) * cqss(sC2H3 - nspec) * c(sC2H2) w(r113) = k(r113) * cqss(sC2H3 - nspec) * c(sO) w(r114) = k(r114) * cqss(sC2H3 - nspec) * c(sH) w(r115) = k(r115) * cqss(sC2H3 - nspec) * c(sHO2) w(r116f) = k(r116f) * cqss(sC2H3 - nspec) * c(sO2) w(r117f) = k(r117f) * cqss(sC2H3 - nspec) * c(sCH3) w(r119) = k(r119) * cqss(sC2H3 - nspec) * c(sH) w(r120) = k(r120) * c(sC2H4) * c(sO) w(r121f) = k(r121f) * c(sC2H4) * cqss(sCH2DXCH2 - nspec) w(r122f) = k(r122f) * c(sC2H4) * cqss(sCH2 - nspec) w(r123) = k(r123) * c(sC2H4) * cqss(sCH - nspec) w(r124f) = k(r124f) * c(sC2H4) * c(sH) w(r125) = k(r125) * c(sC2H4) * c(sO) w(r126f) = k(r126f) * c(sC2H4) * c(sO) w(r127f) = k(r127f) * c(sC2H4) * c(sH) w(r128f) = k(r128f) * c(sC2H4) * c(sOH) w(r129) = k(r129) * c(sC2H4) w(r130) = k(r130) * c(sC2H4) * cqss(sCH2DXCH2 - nspec) w(r131) = k(r131) * c(sC2H4) * cqss(sHCO - nspec) w(r132f) = k(r132f) * c(sC2H4) * c(sCH3) w(r133f) = k(r133f) * c(sC2H4) * c(sCH3) w(r134) = k(r134) * c(sC2H4) * cqss(sC2H - nspec) w(r135) = k(r135) * cqss(sC2H5 - nspec) * c(sHO2) w(r136f) = k(r136f) * cqss(sC2H5 - nspec) * c(sO2) w(r137) = k(r137) * cqss(sC2H5 - nspec) * c(sHO2) w(r138) = k(r138) * cqss(sC2H5 - nspec) * c(sO) w(r139) = k(r139) * cqss(sC2H5 - nspec) * c(sHO2) w(r140) = k(r140) * cqss(sC2H5 - nspec) * c(sH) w(r141) = k(r141) * c(sC2H6) * c(sO) w(r142f) = k(r142f) * c(sC2H6) * c(sH) w(r143) = k(r143) * c(sC2H6) * c(sOH) w(r144) = k(r144) * c(sC2H6) * c(sCH3) w(r145) = k(r145) * cqss(sC2O - nspec) * c(sO) w(r146) = k(r146) * cqss(sC2O - nspec) * c(sOH) w(r147f) = k(r147f) * cqss(sC2O - nspec) * c(sH) w(r148) = k(r148) * cqss(sC2O - nspec) * c(sO2) w(r149f) = k(r149f) * cqss(sHCCO - nspec) * c(sH) w(r150) = k(r150) * cqss(sHCCO - nspec) * c(sO2) w(r152) = k(r152) * cqss(sHCCO - nspec) * c(sO) w(r153) = k(r153) * c(sCH3) * cqss(sHCCO - nspec) w(r155f) = k(r155f) * cqss(sHCCO - nspec) * c(sOH) w(r156f) = k(r156f) * c(sCH2CO) * c(sH) w(r157) = k(r157) * c(sCH2CO) * c(sO) w(r158f) = k(r158f) * c(sCH2CO) * c(sOH) w(r159f) = k(r159f) * c(sCH2CO) * c(sH) w(r160f) = k(r160f) * c(sCH2CO) * c(sH) w(r161f) = k(r161f) * c(sCH2CO) * c(sO) w(r162) = k(r162) * cqss(sCH2CHO - nspec) * c(sO) w(r163) = k(r163) * cqss(sCH2CHO - nspec) * c(sOH) w(r164) = k(r164) * cqss(sCH2CHO - nspec) * c(sH) w(r165) = k(r165) * cqss(sCH2CHO - nspec) * c(sO2) w(r166) = k(r166) * cqss(sCH2CHO - nspec) * c(sH) w(r167) = k(r167) * cqss(sCH2CHO - nspec) w(r168f) = k(r168f) * cqss(sCH2CHO - nspec) * c(sO2) w(r169f) = k(r169f) * cqss(sC3H3 - nspec) * c(sH) w(r172) = k(r172) * cqss(sC3H3 - nspec) * c(sHO2) w(r173) = k(r173) * cqss(sC3H3 - nspec) * c(sO2) w(r174) = k(r174) * cqss(sC3H3 - nspec) * c(sHO2) w(r175) = k(r175) * cqss(sC3H3 - nspec) * c(sO) w(r177) = k(r177) * cqss(sPXC3H4 - nspec) * c(sOH) w(r178) = k(r178) * cqss(sPXC3H4 - nspec) * c(sO) w(r179) = k(r179) * cqss(sPXC3H4 - nspec) * c(sH) w(r180) = k(r180) * cqss(sPXC3H4 - nspec) * c(sCH3) w(r181) = k(r181) * cqss(sPXC3H4 - nspec) * c(sO) w(r183) = k(r183) * cqss(sCH3CHCH - nspec) * c(sHO2) w(r184) = k(r184) * cqss(sCH3CHCH - nspec) * c(sOH) w(r185) = k(r185) * cqss(sCH3CHCH - nspec) * c(sH) w(r186) = k(r186) * cqss(sCH3CHCH - nspec) * c(sO) w(r187) = k(r187) * cqss(sCH3CHCH - nspec) w(r188) = k(r188) * c(sCH3) * cqss(sAXC3H5 - nspec) w(r189f) = k(r189f) * cqss(sAXC3H5 - nspec) * c(sHO2) w(r190f) = k(r190f) * cqss(sAXC3H5 - nspec) * c(sCH3) w(r191f) = k(r191f) * cqss(sAXC3H5 - nspec) * c(sH) w(r192) = k(r192) * cqss(sAXC3H5 - nspec) * c(sHO2) w(r194f) = k(r194f) * c(sC3H6) * c(sOH) w(r195) = k(r195) * c(sC3H6) * c(sO) w(r196) = k(r196) * c(sC3H6) * c(sO) w(r197f) = k(r197f) * c(sC3H6) * c(sH) w(r198f) = k(r198f) * c(sC3H6) * c(sH) w(r199) = k(r199) * c(sC3H6) * c(sO) w(r200) = k(r200) * c(sC3H6) * c(sOH) w(r201) = k(r201) * c(sC3H6) * c(sHO2) w(r202) = k(r202) * c(sC3H6) * c(sCH3) w(r203) = k(r203) * c(sC3H6) * c(sO) w(r204f) = k(r204f) * c(sC3H6) * c(sH) w(r205f) = k(r205f) * c(sC3H6) * c(sH) w(r206f) = k(r206f) * cqss(sNXC3H7 - nspec) * c(sO2) w(r207) = k(r207) * cqss(sNXC3H7 - nspec) * c(sOH) w(r208) = k(r208) * cqss(sNXC3H7 - nspec) * c(sO) w(r209) = k(r209) * cqss(sNXC3H7 - nspec) * c(sH) w(r210) = k(r210) * cqss(sNXC3H7 - nspec) * c(sHO2) w(r211) = k(r211) * cqss(sNXC3H7 - nspec) * c(sCH3) w(r212) = k(r212) * cqss(sC4H2 - nspec) * c(sOH) w(r213) = k(r213) * cqss(sC4H4 - nspec) * c(sO) w(r214) = k(r214) * cqss(sIXC4H5 - nspec) * c(sH) w(r215) = k(r215) * c(sH) * cqss(sIXC4H5 - nspec) w(r216f) = k(r216f) * cqss(sIXC4H5 - nspec) * c(sH) w(r217) = k(r217) * c(sC3H6) * cqss(sIXC4H5 - nspec) w(r218) = k(r218) * cqss(sIXC4H5 - nspec) w(r219) = k(r219) * c(sH) * cqss(sIXC4H5 - nspec) w(r220) = k(r220) * cqss(sIXC4H5 - nspec) w(r221) = k(r221) * cqss(sIXC4H5 - nspec) * c(sO2) w(r222) = k(r222) * cqss(sIXC4H5 - nspec) * c(sOH) w(r223) = k(r223) * cqss(sIXC4H5 - nspec) * c(sHO2) w(r224) = k(r224) * cqss(sIXC4H5 - nspec) * c(sH) w(r225f) = k(r225f) * cqss(sC4H5X2XC4H5 - nspec) * c(sC2H2) w(r226f) = k(r226f) * cqss(sC4H5X2XC4H5 - nspec) w(r227) = k(r227) * c(sC4H6) * c(sOH) w(r228) = k(r228) * c(sC4H6) * c(sCH3) w(r229f) = k(r229f) * c(sC4H6) * c(sH) w(r230) = k(r230) * c(sC4H6) * c(sO) w(r231f) = k(r231f) * c(sC4H6) * c(sH) w(r232) = k(r232) * cqss(sC4H7 - nspec) * c(sCH3) w(r233) = k(r233) * cqss(sC4H7 - nspec) * c(sH) w(r234f) = k(r234f) * cqss(sC4H7 - nspec) w(r235) = k(r235) * cqss(sC4H7 - nspec) * c(sHO2) w(r236) = k(r236) * cqss(sC4H7 - nspec) w(r237) = k(r237) * cqss(sC4H7 - nspec) * c(sO2) w(r238) = k(r238) * cqss(sC4H7 - nspec) * c(sH) w(r239f) = k(r239f) * c(sC4H81XC4H8) * c(sH) w(r240f) = k(r240f) * c(sC4H81XC4H8) * c(sH) w(r241f) = k(r241f) * c(sC4H81XC4H8) * c(sH) w(r242) = k(r242) * c(sC4H81XC4H8) * c(sO) w(r243) = k(r243) * c(sC4H81XC4H8) * c(sOH) w(r244) = k(r244) * c(sC4H81XC4H8) * c(sHO2) w(r245) = k(r245) * c(sC4H81XC4H8) * c(sO) w(r246) = k(r246) * c(sC4H81XC4H8) * c(sCH3) w(r247) = k(r247) * c(sC4H81XC4H8) * c(sO) w(r248) = k(r248) * cqss(sH2C4O - nspec) * c(sOH) w(r249) = k(r249) * cqss(sH2C4O - nspec) * c(sH) w(r250) = k(r250) * c(sC5H10) w(r251) = k(r251) * c(sC5H10) * c(sH) w(r252) = k(r252) * c(sC5H10) * c(sH) w(r253) = k(r253) * c(sC5H10) * c(sH) w(r254) = k(r254) * cqss(sOXXC6H4 - nspec) w(r255) = k(r255) * cqss(sC6H5 - nspec) * c(sH) w(r256f) = k(r256f) * cqss(sC6H5 - nspec) * c(sCH4) w(r257f) = k(r257f) * cqss(sC6H5 - nspec) w(r258f) = k(r258f) * cqss(sC6H5 - nspec) * c(sH2) w(r259) = k(r259) * cqss(sC6H5 - nspec) * c(sCH3) w(r260) = k(r260) * cqss(sC6H5 - nspec) * c(sH) w(r261f) = k(r261f) * c(sC6H6) * c(sOH) w(r262) = k(r262) * c(sC6H12) * c(sH) w(r263) = k(r263) * c(sC6H12) * c(sO) w(r264) = k(r264) * c(sC6H12) * c(sH) w(r265) = k(r265) * c(sC6H12) w(r266f) = k(r266f) * cqss(sC6H5CH3 - nspec) * c(sH) w(r267f) = k(r267f) * cqss(sC6H5CO - nspec) w(r268) = k(r268) * c(sNXC12H26) * c(sH) w(r269) = k(r269) * c(sNXC12H26) * c(sOH) w(r270) = k(r270) * c(sNXC12H26) * c(sHO2) w(r271) = k(r271) * c(sNXC12H26) * c(sH) w(r272) = k(r272) * c(sNXC12H26) * c(sH) w(r273) = k(r273) * c(sNXC12H26) w(r274) = k(r274) * c(sNXC12H26) * c(sOH) w(r275) = k(r275) * c(sNXC12H26) * c(sO2) w(r276) = k(r276) * c(sNXC12H26) * c(sCH3) w(r277) = k(r277) * c(sNXC12H26) * c(sO) w(r278) = k(r278) * c(sNXC12H26) * c(sCH3) w(r279) = k(r279) * c(sNXC12H26) w(r280) = k(r280) * c(sNXC12H26) * c(sO) w(r281) = k(r281) * c(sNXC12H26) * c(sHO2) w(r282) = k(r282) * c(sNXC12H26) * c(sOH) w(r283) = k(r283) * c(sNXC12H26) * c(sHO2) w(r284) = k(r284) * c(sNXC12H26) w(r285) = k(r285) * c(sNXC12H26) w(r286) = k(r286) * c(sNXC12H26) * c(sCH3) w(r287) = k(r287) * c(sNXC12H26) * c(sO) w(r288f) = k(r288f) * cqss(sCH2DXCH2 - nspec) * c(sN2) w(r2b) = k(r2b) * c(sH) * c(sOH) w(r3b) = k(r3b) * c(sH2O2) w(r4b) = k(r4b) * c(sO) * c(sH2O) w(r5b) = k(r5b) * c(sH) * c(sH2O) w(r6b) = k(r6b) * c(sH2O) * m(mM2) w(r7b) = k(r7b) * c(sO) * c(sOH) w(r8b) = k(r8b) * c(sHO2) * c(sH) w(r9b) = k(r9b) * c(sHO2) w(r15b) = k(r15b) * c(sOH)**2_pr w(r19b) = k(r19b) * c(sH2O) * c(sO2) w(r20b) = k(r20b) * c(sHO2) * c(sH2O) w(r24b) = k(r24b) * cqss(sCH2 - nspec) * c(sH) w(r30b) = k(r30b) * c(sH) * c(sCH3) w(r32b) = k(r32b) * cqss(sCH - nspec) * c(sH2O) w(r34b) = k(r34b) * c(sCH3) * c(sH) w(r37b) = k(r37b) * cqss(sCH2 - nspec) * c(sH2O) w(r40b) = k(r40b) * c(sCH4) * c(sHO2) w(r45b) = k(r45b) * c(sC2H6) w(r46b) = k(r46b) * c(sH) * cqss(sC2H5 - nspec) w(r47b) = k(r47b) * cqss(sCH2DXCH2 - nspec) * c(sH2O) w(r48b) = k(r48b) * cqss(sCH2 - nspec) * c(sH2O) w(r50b) = k(r50b) * c(sCH4) w(r54b) = k(r54b) * c(sCH3) * c(sOH) w(r56b) = k(r56b) * c(sCH3) * c(sH2) w(r57b) = k(r57b) * c(sCH3) * c(sH2O) w(r58b) = k(r58b) * c(sCH2CO) w(r59b) = k(r59b) * cqss(sHCCO - nspec) w(r62b) = k(r62b) * c(sCO2) * c(sH) w(r63b) = k(r63b) * cqss(sCH2 - nspec) * c(sCO) w(r64b) = k(r64b) * c(sCO2) * c(sH) w(r65b) = k(r65b) * c(sCO) * c(sH) * c(sH2O) w(r67b) = k(r67b) * c(sCO) * c(sH) * m(mM8) w(r84b) = k(r84b) * cqss(sCH2 - nspec) * c(sCO2) w(r85b) = k(r85b) * c(sH) * c(sC2H2) w(r89b) = k(r89b) * cqss(sPXC3H4 - nspec) * c(sH) w(r92b) = k(r92b) * cqss(sCH3CHCH - nspec) w(r94b) = k(r94b) * cqss(sHCCO - nspec) * c(sH) w(r95b) = k(r95b) * cqss(sC2H - nspec) * c(sOH) w(r96b) = k(r96b) * cqss(sC2H - nspec) * c(sH2O) w(r99b) = k(r99b) * cqss(sC4H2 - nspec) * c(sH) w(r100b) = k(r100b) * cqss(sC4H4 - nspec) w(r101b) = k(r101b) * cqss(sH2CC - nspec) w(r102b) = k(r102b) * c(sC2H2) * c(sH) w(r108b) = k(r108b) * cqss(sAXC3H5 - nspec) * c(sH) w(r111b) = k(r111b) * c(sC2H2) * c(sH) w(r112b) = k(r112b) * cqss(sC4H4 - nspec) * c(sH) w(r116b) = k(r116b) * c(sC2H2) * c(sHO2) w(r117b) = k(r117b) * c(sC3H6) w(r121b) = k(r121b) * cqss(sAXC3H5 - nspec) * c(sH) w(r122b) = k(r122b) * cqss(sAXC3H5 - nspec) * c(sH) w(r124b) = k(r124b) * cqss(sC2H5 - nspec) w(r126b) = k(r126b) * cqss(sC2H3 - nspec) * c(sOH) w(r127b) = k(r127b) * cqss(sC2H3 - nspec) * c(sH2) w(r128b) = k(r128b) * cqss(sC2H3 - nspec) * c(sH2O) w(r132b) = k(r132b) * cqss(sNXC3H7 - nspec) w(r133b) = k(r133b) * cqss(sC2H3 - nspec) * c(sCH4) w(r136b) = k(r136b) * c(sC2H4) * c(sHO2) w(r142b) = k(r142b) * cqss(sC2H5 - nspec) * c(sH2) w(r147b) = k(r147b) * cqss(sCH - nspec) * c(sCO) w(r149b) = k(r149b) * cqss(sCH2DXCH2 - nspec) * c(sCO) w(r155b) = k(r155b) * cqss(sC2O - nspec) * c(sH2O) w(r156b) = k(r156b) * cqss(sHCCO - nspec) * c(sH2) w(r158b) = k(r158b) * cqss(sHCCO - nspec) * c(sH2O) w(r159b) = k(r159b) * c(sCH3) * c(sCO) w(r160b) = k(r160b) * cqss(sCH2CHO - nspec) w(r161b) = k(r161b) * cqss(sHCCO - nspec) * c(sOH) w(r168b) = k(r168b) * c(sCH2CO) * c(sHO2) w(r169b) = k(r169b) * cqss(sPXC3H4 - nspec) w(r189b) = k(r189b) * c(sC3H6) * c(sO2) w(r190b) = k(r190b) * c(sC4H81XC4H8) w(r191b) = k(r191b) * c(sC3H6) w(r194b) = k(r194b) * cqss(sCH3CHCH - nspec) * c(sH2O) w(r197b) = k(r197b) * cqss(sCH3CHCH - nspec) * c(sH2) w(r198b) = k(r198b) * c(sC2H4) * c(sCH3) w(r204b) = k(r204b) * cqss(sAXC3H5 - nspec) * c(sH2) w(r205b) = k(r205b) * cqss(sNXC3H7 - nspec) w(r206b) = k(r206b) * c(sC3H6) * c(sHO2) w(r216b) = k(r216b) * cqss(sC4H5X2XC4H5 - nspec) * c(sH) w(r225b) = k(r225b) * c(sC6H6) * c(sH) w(r226b) = k(r226b) * cqss(sIXC4H5 - nspec) w(r229b) = k(r229b) * c(sC2H4) * cqss(sC2H3 - nspec) w(r231b) = k(r231b) * cqss(sIXC4H5 - nspec) * c(sH2) w(r234b) = k(r234b) * c(sC4H6) * c(sH) w(r239b) = k(r239b) * c(sC2H4) * cqss(sC2H5 - nspec) w(r240b) = k(r240b) * c(sC3H6) * c(sCH3) w(r241b) = k(r241b) * cqss(sC4H7 - nspec) * c(sH2) w(r256b) = k(r256b) * c(sC6H6) * c(sCH3) w(r257b) = k(r257b) * cqss(sOXXC6H4 - nspec) * c(sH) w(r258b) = k(r258b) * c(sC6H6) * c(sH) w(r261b) = k(r261b) * cqss(sC6H5 - nspec) * c(sH2O) w(r266b) = k(r266b) * c(sC6H6) * c(sCH3) w(r267b) = k(r267b) * cqss(sC6H5 - nspec) * c(sCO) w(r288b) = k(r288b) * 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(r288f) + & w(r288f) - & w(r288b) + & w(r288b) cdot(sO) = 0.0_pr - & w(r1) - & w(r2f) + & w(r4f) + & w(r7f) - & w(r12) + & w(r13) - & w(r22) + & w(r25) - & w(r28) - & w(r51) + & w(r53) - & w(r54f) - & w(r61) - & w(r69) - & w(r70) - & w(r77) - & w(r88) - & w(r94f) - & w(r95f) - & w(r98) - & w(r105) + & w(r107) - & w(r113) - & w(r120) - & w(r125) - & w(r126f) - & w(r138) - & w(r141) - & w(r145) + & w(r148) - & w(r152) - & w(r157) - & w(r161f) - & w(r162) - & w(r175) - & w(r178) - & w(r181) - & w(r186) - & w(r195) - & w(r196) - & w(r199) - & w(r203) - & w(r208) - & w(r213) - & w(r230) - & w(r242) - & w(r245) - & w(r247) - & w(r263) - & w(r277) cdot(sO) = cdot(sO) - & w(r280) - & w(r287) + & w(r2b) - & w(r4b) - & w(r7b) + & w(r54b) + & w(r94b) + & w(r95b) + & w(r126b) + & w(r161b) cdot(sH) = 0.0_pr - & w(r1) + & w(r2f) + & w(r5f) - & w(r6f) - & w(r7f) + & w(r8f) - & w(r9f) - & w(r13) + & w(r14) - & w(r15f) + & w(r22) + & w(r23) + & w(r24f) + & w(r26) + & w(r28) + & w(r29) + & w(r30f) + 2_pr * & w(r31) + & w(r34f) + & w(r35) + & w(r36) - & w(r38) + & w(r41) + & w(r46f) - & w(r50f) + & w(r51) + & w(r52) + & w(r55) - & w(r56f) + & w(r62f) + & w(r64f) + & w(r65f) - & w(r66) + & w(r67f) + & w(r69) - & w(r74) + & w(r80) - & w(r81) + & w(r85f) + & w(r87) + & w(r89f) + & w(r90) + & w(r91) + & w(r94f) + & w(r97) + & w(r99f) - & w(r102f) + & w(r102f) + & w(r103) + & w(r105) cdot(sH) = cdot(sH) - & w(r106) + & w(r108f) + & w(r111f) + & w(r112f) - & w(r114) - & w(r119) + & w(r121f) + & w(r122f) + & w(r123) - & w(r124f) - & w(r127f) + & w(r134) - & w(r140) - & w(r142f) + & w(r146) - & w(r147f) - & w(r149f) + & w(r152) - & w(r156f) - & w(r159f) - & w(r160f) - & w(r164) - & w(r166) - & w(r169f) - & w(r179) + & w(r184) - & w(r185) + & w(r187) - & w(r191f) - & w(r197f) - & w(r198f) + & w(r203) - & w(r204f) - & w(r205f) - & w(r209) + & w(r212) - & w(r214) - & w(r215) - & w(r216f) + & w(r216f) - & w(r219) + & w(r220) - & w(r224) + & w(r225f) - & w(r229f) - & w(r231f) - & w(r233) + & w(r234f) - & w(r238) - & w(r239f) cdot(sH) = cdot(sH) - & w(r240f) - & w(r241f) - & w(r249) - & w(r251) - & w(r252) - & w(r253) - & w(r255) + & w(r257f) + & w(r258f) - & w(r260) - & w(r262) - & w(r264) - & w(r266f) - & w(r268) - & w(r271) - & w(r272) - & w(r2b) - & w(r5b) + & w(r6b) + & w(r7b) - & w(r8b) + & w(r9b) + & w(r15b) - & w(r24b) - & w(r30b) - & w(r34b) - & w(r46b) + & w(r50b) + & w(r56b) - & w(r62b) - & w(r64b) - & w(r65b) - & w(r67b) - & w(r85b) - & w(r89b) - & w(r94b) - & w(r99b) - & w(r102b) + & w(r102b) - & w(r108b) - & w(r111b) - & w(r112b) - & w(r121b) - & w(r122b) + & w(r124b) + & w(r127b) + & w(r142b) + & w(r147b) + & w(r149b) + & w(r156b) cdot(sH) = cdot(sH) + & w(r159b) + & w(r160b) + & w(r169b) + & w(r191b) + & w(r197b) + & w(r198b) + & w(r204b) + & w(r205b) - & w(r216b) + & w(r216b) - & w(r225b) + & w(r229b) + & w(r231b) - & w(r234b) + & w(r239b) + & w(r240b) + & w(r241b) - & w(r257b) - & w(r258b) + & w(r266b) cdot(sOH) = 0.0_pr + & w(r1) + & w(r2f) - 2_pr * & w(r3f) - 2_pr * & w(r4f) - & w(r5f) - & w(r6f) + & w(r7f) - & w(r11) + & w(r12) + 2_pr * & w(r15f) - & w(r16) - & w(r18) - & w(r19f) - & w(r20f) - & w(r21) - & w(r26) + & w(r27) - & w(r29) - & w(r32f) + & w(r35) - & w(r36) + & w(r42) + & w(r44) - & w(r47f) - & w(r48f) + & w(r54f) - & w(r57f) + & w(r60) - & w(r62f) - & w(r64f) + & w(r70) - & w(r71) - & w(r73) + & w(r77) - & w(r87) - & w(r90) + & w(r95f) - & w(r96f) - & w(r103) - & w(r110) + & w(r115) + & w(r126f) - & w(r128f) + & w(r135) + & w(r141) - & w(r143) - & w(r146) + & w(r150) - & w(r155f) - & w(r158f) cdot(sOH) = cdot(sOH) + & w(r161f) + & w(r162) - & w(r163) + & w(r165) + & w(r172) - & w(r177) + & w(r183) - & w(r184) + & w(r192) - & w(r194f) + & w(r195) + & w(r196) - & w(r200) - & w(r207) + & w(r210) - & w(r212) - & w(r222) + & w(r223) - & w(r227) + & w(r230) + & w(r235) - & w(r243) + & w(r245) + & w(r247) - & w(r248) - & w(r261f) - & w(r269) - & w(r274) + & w(r277) + & w(r280) - & w(r282) + & w(r287) - & w(r2b) + 2_pr * & w(r3b) + 2_pr * & w(r4b) + & w(r5b) + & w(r6b) - & w(r7b) - 2_pr * & w(r15b) + & w(r19b) + & w(r20b) + & w(r32b) + & w(r47b) + & w(r48b) - & w(r54b) + & w(r57b) + & w(r62b) + & w(r64b) - & w(r95b) + & w(r96b) cdot(sOH) = cdot(sOH) - & w(r126b) + & w(r128b) + & w(r155b) + & w(r158b) - & w(r161b) + & w(r194b) + & w(r261b) cdot(sH2) = 0.0_pr - & w(r2f) - & w(r5f) - & w(r8f) - & w(r14) - & w(r24f) - & w(r30f) - & w(r34f) + & w(r38) + & w(r56f) + & w(r66) + & w(r74) + & w(r81) - & w(r85f) + & w(r106) + & w(r114) + & w(r127f) + & w(r129) + & w(r142f) + & w(r156f) + & w(r164) + & w(r179) + & w(r185) + & w(r197f) + & w(r204f) + & w(r214) + & w(r231f) + & w(r241f) + & w(r253) + & w(r255) - & w(r258f) + & w(r264) + & w(r268) + & w(r271) + & w(r272) + & w(r2b) + & w(r5b) + & w(r8b) + & w(r24b) + & w(r30b) + & w(r34b) - & w(r56b) + & w(r85b) - & w(r127b) - & w(r142b) - & w(r156b) - & w(r197b) - & w(r204b) - & w(r231b) - & w(r241b) + & w(r258b) cdot(sH2) = cdot(sH2) cdot(sH2O2) = 0.0_pr + & w(r3f) + & w(r10) + & w(r14) + & w(r17) - & w(r20f) - & w(r21) - & w(r40f) + & w(r76) + & w(r139) + & w(r201) + & w(r244) + & w(r270) + & w(r281) + & w(r283) - & w(r3b) + & w(r20b) + & w(r40b) cdot(sH2O) = 0.0_pr + & w(r4f) + & w(r5f) + & w(r6f) + & w(r11) + & w(r13) + & w(r16) + & w(r18) + & w(r19f) + & w(r20f) + & w(r21) - & w(r23) + & w(r32f) + & w(r33) - & w(r37f) + & w(r37f) + & w(r47f) + & w(r48f) + & w(r57f) - & w(r65f) + & w(r65f) + & w(r71) + & w(r73) + & w(r96f) + & w(r110) + & w(r128f) + & w(r143) + & w(r155f) + & w(r158f) + & w(r163) + & w(r177) + & w(r194f) + & w(r200) + & w(r207) + & w(r222) + & w(r227) + & w(r243) + & w(r261f) + & w(r269) + & w(r274) + & w(r282) - & w(r4b) - & w(r5b) - & w(r6b) - & w(r19b) - & w(r20b) - & w(r32b) - & w(r37b) + & w(r37b) - & w(r47b) - & w(r48b) cdot(sH2O) = cdot(sH2O) - & w(r57b) - & w(r65b) + & w(r65b) - & w(r96b) - & w(r128b) - & w(r155b) - & w(r158b) - & w(r194b) - & w(r261b) cdot(sO2) = 0.0_pr - & w(r7f) - & w(r8f) - & w(r9f) + & w(r10) + & w(r11) + & w(r12) + & w(r16) + & w(r17) + & w(r18) + & w(r19f) - & w(r25) - & w(r27) - & w(r31) - & w(r33) - & w(r35) - & w(r42) + & w(r49) - & w(r53) - & w(r68) - & w(r75) - & w(r79) - & w(r86) - & w(r104) - & w(r107) - & w(r109) - & w(r116f) - & w(r136f) + & w(r137) - & w(r148) - & w(r150) - & w(r165) - & w(r168f) - & w(r173) + & w(r174) + & w(r189f) - & w(r206f) - & w(r221) - & w(r237) - & w(r275) + & w(r7b) + & w(r8b) + & w(r9b) - & w(r19b) + & w(r116b) + & w(r136b) + & w(r168b) - & w(r189b) + & w(r206b) cdot(sHO2) = 0.0_pr + & w(r8f) + & w(r9f) - 2_pr * & w(r10) - & w(r11) - & w(r12) - & w(r13) - & w(r14) - & w(r15f) - & w(r16) - 2_pr * & w(r17) - & w(r18) - & w(r19f) + & w(r20f) + & w(r21) + & w(r40f) - & w(r44) - & w(r49) - & w(r60) + & w(r68) + & w(r75) - & w(r76) + & w(r79) - & w(r115) + & w(r116f) - & w(r135) + & w(r136f) - & w(r137) - & w(r139) + & w(r168f) - & w(r172) - & w(r174) - & w(r183) - & w(r189f) - & w(r192) - & w(r201) + & w(r206f) - & w(r210) - & w(r223) - & w(r235) + & w(r237) - & w(r244) - & w(r270) + & w(r275) - & w(r281) - & w(r283) - & w(r8b) - & w(r9b) + & w(r15b) + & w(r19b) - & w(r20b) cdot(sHO2) = cdot(sHO2) - & w(r40b) - & w(r116b) - & w(r136b) - & w(r168b) + & w(r189b) - & w(r206b) ! !cdot(sCH) = 0.0_pr cdot(sCO) = 0.0_pr + & w(r22) + & w(r33) + & w(r35) - & w(r58f) - & w(r59f) - & w(r60) - & w(r61) - & w(r62f) - & w(r63f) + & w(r63f) - & w(r64f) + & w(r65f) + & w(r66) + & w(r67f) + & w(r68) + & w(r70) + & w(r71) + & w(r72) + & w(r82) + & w(r83) + & w(r86) + & w(r88) + & w(r93) + & w(r98) + & w(r113) + & w(r131) + 2_pr * & w(r145) + 2_pr * & w(r146) + & w(r147f) + 2_pr * & w(r148) + & w(r149f) + 2_pr * & w(r150) + 2_pr * & w(r152) + & w(r153) + & w(r159f) + & w(r165) + & w(r167) + & w(r172) + & w(r178) + & w(r267f) + & w(r58b) + & w(r59b) + & w(r62b) - & w(r63b) + & w(r63b) + & w(r64b) - & w(r65b) - & w(r67b) - & w(r147b) - & w(r149b) cdot(sCO) = cdot(sCO) - & w(r159b) - & w(r267b) cdot(sCH2O) = 0.0_pr + & w(r23) + & w(r29) + & w(r36) + & w(r42) + & w(r51) - & w(r73) - & w(r74) - & w(r75) - & w(r76) - & w(r77) - & w(r78) + & w(r79) + & w(r80) + & w(r81) + & w(r82) + & w(r109) + & w(r120) + & w(r135) + & w(r138) + & w(r165) + & w(r175) + & w(r192) + & w(r208) + & w(r210) + & w(r235) ! !cdot(sCH2) = 0.0_pr ! !cdot(sHCO) = 0.0_pr cdot(sCH3) = 0.0_pr + & w(r30f) + & w(r34f) - 2_pr * & w(r39) - & w(r40f) - & w(r41) - & w(r42) - 2_pr * & w(r43) - & w(r44) - 2_pr * & w(r45f) - 2_pr * & w(r46f) - & w(r47f) - & w(r48f) - & w(r49) - & w(r50f) - & w(r51) - & w(r52) - & w(r53) + & w(r54f) + & w(r56f) + & w(r57f) - & w(r72) - & w(r78) - & w(r89f) - & w(r92f) - & w(r108f) + & w(r113) - & w(r117f) + & w(r125) - & w(r132f) - & w(r133f) + & w(r135) + & w(r138) - & w(r144) - & w(r153) + & w(r159f) + & w(r166) + & w(r167) - & w(r180) + & w(r181) - & w(r188) - & w(r190f) + & w(r198f) - & w(r202) + & w(r203) + & w(r209) - & w(r211) + & w(r224) - & w(r228) - & w(r232) + & w(r233) cdot(sCH3) = cdot(sCH3) + & w(r240f) - & w(r246) + & w(r253) + & w(r256f) - & w(r259) + & w(r266f) - & w(r276) - & w(r278) + & w(r279) - & w(r286) - & w(r30b) - & w(r34b) + & w(r40b) + 2_pr * & w(r45b) + 2_pr * & w(r46b) + & w(r47b) + & w(r48b) + & w(r50b) - & w(r54b) - & w(r56b) - & w(r57b) + & w(r89b) + & w(r92b) + & w(r108b) + & w(r117b) + & w(r132b) + & w(r133b) - & w(r159b) + & w(r190b) - & w(r198b) - & w(r240b) - & w(r256b) - & w(r266b) cdot(sCO2) = 0.0_pr + & w(r31) + & w(r60) + & w(r61) + & w(r62f) + & w(r64f) + & w(r69) - & w(r82) - & w(r83) - & w(r84f) + & w(r84f) + & w(r157) - & w(r62b) - & w(r64b) - & w(r84b) + & w(r84b) ! !cdot(sCH2DXCH2) = 0.0_pr cdot(sCH4) = 0.0_pr + & w(r39) + & w(r40f) + & w(r43) + & w(r49) + & w(r50f) - & w(r54f) - & w(r55) - & w(r56f) - & w(r57f) + & w(r72) + & w(r78) + & w(r130) + & w(r133f) + & w(r144) + & w(r180) + & w(r202) + & w(r211) + & w(r228) + & w(r232) + & w(r246) - & w(r256f) + & w(r276) + & w(r278) + & w(r286) - & w(r40b) - & w(r50b) + & w(r54b) + & w(r56b) + & w(r57b) - & w(r133b) + & w(r256b) cdot(sC2H4) = 0.0_pr + & w(r41) + & w(r55) + & w(r119) - & w(r120) - & w(r121f) - & w(r122f) - & w(r123) - & w(r124f) - & w(r125) - & w(r126f) - & w(r127f) - & w(r128f) - & w(r129) - & w(r130) - & w(r131) - & w(r132f) - & w(r133f) - & w(r134) + & w(r136f) + & w(r139) + & w(r153) + & w(r178) + & w(r183) + & w(r184) + & w(r186) + & w(r198f) + & w(r229f) + & w(r236) + & w(r239f) + & w(r252) + & w(r263) + & w(r279) + & w(r284) + & w(r121b) + & w(r122b) + & w(r124b) + & w(r126b) + & w(r127b) + & w(r128b) + & w(r132b) + & w(r133b) - & w(r136b) - & w(r198b) - & w(r229b) - & w(r239b) ! !cdot(sCH3O) = 0.0_pr cdot(sC2H6) = 0.0_pr + & w(r45f) + & w(r137) + & w(r140) - & w(r141) - & w(r142f) - & w(r143) - & w(r144) - & w(r45b) + & w(r142b) ! !cdot(sC2H5) = 0.0_pr ! !cdot(sC2H3) = 0.0_pr cdot(sCH2CO) = 0.0_pr + & w(r58f) + & w(r90) + & w(r103) + & w(r105) - & w(r156f) - & w(r157) - & w(r158f) - & w(r159f) - & w(r160f) - & w(r161f) + & w(r162) + & w(r163) + & w(r164) + & w(r168f) + & w(r173) + & w(r203) + & w(r221) + & w(r223) + & w(r248) - & w(r58b) + & w(r156b) + & w(r158b) + & w(r159b) + & w(r160b) + & w(r161b) - & w(r168b) ! !cdot(sHCCO) = 0.0_pr ! !cdot(sC2H) = 0.0_pr cdot(sC2H2) = 0.0_pr + & w(r85f) - & w(r89f) - & w(r90) - & w(r91) - & w(r92f) - & w(r93) - & w(r94f) - & w(r95f) - & w(r96f) - & w(r97) - & w(r98) - & w(r99f) - & w(r100f) - & w(r101f) + & w(r102f) + & w(r106) + & w(r110) + & w(r111f) - & w(r112f) + & w(r116f) + & w(r218) - & w(r225f) + & w(r249) + & w(r254) - & w(r85b) + & w(r89b) + & w(r92b) + & w(r94b) + & w(r95b) + & w(r96b) + & w(r99b) + & w(r100b) + & w(r101b) - & w(r102b) - & w(r111b) + & w(r112b) - & w(r116b) + & w(r225b) ! !cdot(sPXC3H4) = 0.0_pr ! !cdot(sC3H3) = 0.0_pr ! !cdot(sCH3CHCH) = 0.0_pr ! !cdot(sC4H2) = 0.0_pr ! !cdot(sH2CC) = 0.0_pr ! !cdot(sC4H4) = 0.0_pr ! !cdot(sCH2CHO) = 0.0_pr ! !cdot(sAXC3H5) = 0.0_pr cdot(sC3H6) = 0.0_pr + & w(r117f) + & w(r189f) + & w(r191f) - & w(r194f) - & w(r195) - & w(r196) - & w(r197f) - & w(r198f) - & w(r199) - & w(r200) - & w(r201) - & w(r202) - & w(r203) - & w(r204f) - & w(r205f) + & w(r206f) + & w(r207) + & w(r211) - & w(r217) + & w(r240f) + & w(r251) + & w(r262) + & w(r270) + & w(r271) + & w(r272) + 2_pr * & w(r273) + & w(r274) + & w(r276) + & w(r277) + & w(r278) + & w(r282) + & w(r283) + & w(r287) - & w(r117b) - & w(r189b) - & w(r191b) + & w(r194b) + & w(r197b) + & w(r198b) + & w(r204b) + & w(r205b) - & w(r206b) - & w(r240b) ! !cdot(sNXC3H7) = 0.0_pr ! !cdot(sC2O) = 0.0_pr cdot(sC4H81XC4H8) = 0.0_pr + & w(r190f) + & w(r238) - & w(r239f) - & w(r240f) - & w(r241f) - & w(r242) - & w(r243) - & w(r244) - & w(r245) - & w(r246) - & w(r247) + & w(r268) + & w(r269) + & w(r275) + & w(r280) + & w(r281) + & w(r284) + & w(r286) - & w(r190b) + & w(r239b) + & w(r240b) + & w(r241b) ! !cdot(sH2C4O) = 0.0_pr ! !cdot(sIXC4H5) = 0.0_pr cdot(sC4H6) = 0.0_pr + & w(r215) + & w(r217) - & w(r227) - & w(r228) - & w(r229f) - & w(r230) - & w(r231f) + & w(r232) + & w(r234f) + & w(r237) + & w(r253) + & w(r264) + & w(r229b) + & w(r231b) - & w(r234b) ! !cdot(sC4H5X2XC4H5) = 0.0_pr cdot(sC6H6) = 0.0_pr + & w(r225f) + & w(r256f) + & w(r258f) + & w(r260) - & w(r261f) + & w(r266f) - & w(r225b) - & w(r256b) - & w(r258b) + & w(r261b) - & w(r266b) ! !cdot(sC4H7) = 0.0_pr cdot(sC5H10) = 0.0_pr - & w(r250) - & w(r251) - & w(r252) - & w(r253) + & w(r268) + & w(r269) + & w(r275) + & w(r280) + & w(r281) + & w(r286) ! !cdot(sOXXC6H4) = 0.0_pr ! !cdot(sC6H5) = 0.0_pr ! !cdot(sC6H5CH3) = 0.0_pr cdot(sC6H12) = 0.0_pr - & w(r262) - & w(r263) - & w(r264) - & w(r265) + & w(r270) + & w(r271) + & w(r272) + & w(r274) + & w(r276) + & w(r277) + & w(r278) + & w(r279) + & w(r282) + & w(r283) + & w(r285) + & w(r287) ! !cdot(sC6H5CO) = 0.0_pr cdot(sNXC12H26) = 0.0_pr - & w(r268) - & w(r269) - & w(r270) - & w(r271) - & w(r272) - & w(r273) - & w(r274) - & 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) end subroutine get_production_rates ! --- Actual reactions --- ! subroutine reaction_expressions implicit none reacexp(1) = 'O + H + M3 -> OH + M3' reacexp(2) = 'O + H2 -> H + OH' reacexp(3) = '2 OH + M6 -> H2O2 + M6' reacexp(4) = '2 OH -> O + H2O' reacexp(5) = 'OH + H2 -> H + H2O' reacexp(6) = 'H + OH + M2 -> H2O + M2' reacexp(7) = 'H + O2 -> O + OH' reacexp(8) = 'H2 + O2 -> HO2 + H' reacexp(9) = 'H + O2 + M5 -> HO2 + M5' reacexp(10) = '2 HO2 -> O2 + H2O2' reacexp(11) = 'OH + HO2 -> H2O + O2' reacexp(12) = 'HO2 + O -> OH + O2' reacexp(13) = 'HO2 + H -> O + H2O' reacexp(14) = 'H2 + HO2 -> H + H2O2' reacexp(15) = 'HO2 + H -> 2 OH' reacexp(16) = 'OH + HO2 -> H2O + O2' reacexp(17) = '2 HO2 -> O2 + H2O2' reacexp(18) = 'OH + HO2 -> H2O + O2' reacexp(19) = 'OH + HO2 -> H2O + O2' reacexp(20) = 'H2O2 + OH -> HO2 + H2O' reacexp(21) = 'H2O2 + OH -> HO2 + H2O' reacexp(22) = 'CH + O -> CO + H' reacexp(23) = 'CH + H2O -> CH2O + H' reacexp(24) = 'CH + H2 -> CH2 + H' reacexp(25) = 'CH + O2 -> HCO + O' reacexp(26) = 'CH + OH -> HCO + H' reacexp(27) = 'CH2 + O2 -> HCO + OH' reacexp(28) = 'CH2 + O -> HCO + H' reacexp(29) = 'CH2 + OH -> CH2O + H' reacexp(30) = 'CH2 + H2 -> H + CH3' reacexp(31) = 'CH2 + O2 -> CO2 + 2 H' reacexp(32) = 'CH2 + OH -> CH + H2O' reacexp(33) = 'CH2D-CH2 + O2 -> CO + H2O' reacexp(34) = 'CH2D-CH2 + H2 -> CH3 + H' reacexp(35) = 'CH2D-CH2 + O2 -> H + OH + CO' reacexp(36) = 'CH2D-CH2 + OH -> CH2O + H' reacexp(37) = 'CH2D-CH2 + H2O -> CH2 + H2O' reacexp(38) = 'CH2D-CH2 + H -> CH + H2' reacexp(39) = '2 CH3 -> CH2D-CH2 + CH4' reacexp(40) = 'CH3 + H2O2 -> CH4 + HO2' reacexp(41) = 'CH3 + CH2 -> C2H4 + H' reacexp(42) = 'CH3 + O2 -> OH + CH2O' reacexp(43) = '2 CH3 -> CH2 + CH4' reacexp(44) = 'CH3 + HO2 -> CH3O + OH' reacexp(45) = '2 CH3 + M19 -> C2H6 + M19' reacexp(46) = '2 CH3 -> H + C2H5' reacexp(47) = 'CH3 + OH -> CH2D-CH2 + H2O' reacexp(48) = 'CH3 + OH -> CH2 + H2O' reacexp(49) = 'CH3 + HO2 -> CH4 + O2' reacexp(50) = 'CH3 + H + M17 -> CH4 + M17' reacexp(51) = 'CH3 + O -> CH2O + H' reacexp(52) = 'CH3 + CH -> C2H3 + H' reacexp(53) = 'CH3 + O2 -> O + CH3O' reacexp(54) = 'CH4 + O -> CH3 + OH' reacexp(55) = 'CH4 + CH -> C2H4 + H' reacexp(56) = 'CH4 + H -> CH3 + H2' reacexp(57) = 'CH4 + OH -> CH3 + H2O' reacexp(58) = 'CH2 + CO + M13 -> CH2CO + M13' reacexp(59) = 'CH + CO + M10 -> HCCO + M10' reacexp(60) = 'CO + HO2 -> CO2 + OH' reacexp(61) = 'CO + O + M7 -> CO2 + M7' reacexp(62) = 'CO + OH -> CO2 + H' reacexp(63) = 'CH2D-CH2 + CO -> CH2 + CO' reacexp(64) = 'CO + OH -> CO2 + H' reacexp(65) = 'HCO + H2O -> CO + H + H2O' reacexp(66) = 'HCO + H -> CO + H2' reacexp(67) = 'HCO + M8 -> CO + H + M8' reacexp(68) = 'HCO + O2 -> CO + HO2' reacexp(69) = 'HCO + O -> CO2 + H' reacexp(70) = 'HCO + O -> CO + OH' reacexp(71) = 'HCO + OH -> CO + H2O' reacexp(72) = 'CH3 + HCO -> CH4 + CO' reacexp(73) = 'CH2O + OH -> HCO + H2O' reacexp(74) = 'CH2O + H -> HCO + H2' reacexp(75) = 'CH2O + O2 -> HCO + HO2' reacexp(76) = 'CH2O + HO2 -> HCO + H2O2' reacexp(77) = 'CH2O + O -> HCO + OH' reacexp(78) = 'CH3 + CH2O -> CH4 + HCO' reacexp(79) = 'CH3O + O2 -> CH2O + HO2' reacexp(80) = 'CH3O + M16 -> H + CH2O + M16' reacexp(81) = 'CH3O + H -> CH2O + H2' reacexp(82) = 'CH2D-CH2 + CO2 -> CH2O + CO' reacexp(83) = 'CH + CO2 -> HCO + CO' reacexp(84) = 'CH2D-CH2 + CO2 -> CH2 + CO2' reacexp(85) = 'C2H + H2 -> H + C2H2' reacexp(86) = 'C2H + O2 -> HCO + CO' reacexp(87) = 'C2H + OH -> H + HCCO' reacexp(88) = 'C2H + O -> CH + CO' reacexp(89) = 'C2H2 + CH3 -> P-C3H4 + H' reacexp(90) = 'C2H2 + OH -> CH2CO + H' reacexp(91) = 'C2H2 + CH2D-CH2 -> C3H3 + H' reacexp(92) = 'C2H2 + CH3 -> CH3CHCH' reacexp(93) = 'C2H2 + HCO -> C2H3 + CO' reacexp(94) = 'C2H2 + O -> HCCO + H' reacexp(95) = 'C2H2 + O -> C2H + OH' reacexp(96) = 'C2H2 + OH -> C2H + H2O' reacexp(97) = 'C2H2 + CH2 -> C3H3 + H' reacexp(98) = 'C2H2 + O -> CH2 + CO' reacexp(99) = 'C2H2 + C2H -> C4H2 + H' reacexp(100) = 'H2CC + C2H2 + M27 -> C4H4 + M27' reacexp(101) = 'C2H2 + M23 -> H2CC + M23' reacexp(102) = 'H2CC + H -> C2H2 + H' reacexp(103) = 'H2CC + OH -> CH2CO + H' reacexp(104) = 'H2CC + O2 -> 2 HCO' reacexp(105) = 'C2H3 + O -> CH2CO + H' reacexp(106) = 'C2H3 + H -> C2H2 + H2' reacexp(107) = 'C2H3 + O2 -> CH2CHO + O' reacexp(108) = 'C2H3 + CH3 -> A-C3H5 + H' reacexp(109) = 'C2H3 + O2 -> HCO + CH2O' reacexp(110) = 'C2H3 + OH -> C2H2 + H2O' reacexp(111) = 'C2H3 + M24 -> C2H2 + H + M24' reacexp(112) = 'C2H3 + C2H2 -> C4H4 + H' reacexp(113) = 'C2H3 + O -> CH3 + CO' reacexp(114) = 'C2H3 + H -> H2CC + H2' reacexp(115) = 'C2H3 + HO2 -> CH2CHO + OH' reacexp(116) = 'C2H3 + O2 -> C2H2 + HO2' reacexp(117) = 'C2H3 + CH3 + M30 -> C3H6 + M30' reacexp(118) = 'C2H3 + H + M29 -> C2H4 + M29' reacexp(119) = 'C2H4 + O -> CH2 + CH2O' reacexp(120) = 'C2H4 + CH2D-CH2 -> A-C3H5 + H' reacexp(121) = 'C2H4 + CH2 -> A-C3H5 + H' reacexp(122) = 'C2H4 + CH -> P-C3H4 + H' reacexp(123) = 'C2H4 + H + M36 -> C2H5 + M36' reacexp(124) = 'C2H4 + O -> CH3 + HCO' reacexp(125) = 'C2H4 + O -> C2H3 + OH' reacexp(126) = 'C2H4 + H -> C2H3 + H2' reacexp(127) = 'C2H4 + OH -> C2H3 + H2O' reacexp(128) = 'C2H4 + M35 -> H2 + H2CC + M35' reacexp(129) = 'C2H4 + CH2D-CH2 -> H2CC + CH4' reacexp(130) = 'C2H4 + HCO -> C2H5 + CO' reacexp(131) = 'C2H4 + CH3 -> N-C3H7' reacexp(132) = 'C2H4 + CH3 -> C2H3 + CH4' reacexp(133) = 'C2H4 + C2H -> C4H4 + H' reacexp(134) = 'C2H5 + HO2 -> CH3 + CH2O + OH' reacexp(135) = 'C2H5 + O2 -> C2H4 + HO2' reacexp(136) = 'C2H5 + HO2 -> C2H6 + O2' reacexp(137) = 'C2H5 + O -> CH3 + CH2O' reacexp(138) = 'C2H5 + HO2 -> C2H4 + H2O2' reacexp(139) = 'C2H5 + H + M37 -> C2H6 + M37' reacexp(140) = 'C2H6 + O -> C2H5 + OH' reacexp(141) = 'C2H6 + H -> C2H5 + H2' reacexp(142) = 'C2H6 + OH -> C2H5 + H2O' reacexp(143) = 'C2H6 + CH3 -> C2H5 + CH4' reacexp(144) = 'C2O + O -> 2 CO' reacexp(145) = 'C2O + OH -> 2 CO + H' reacexp(146) = 'C2O + H -> CH + CO' reacexp(147) = 'C2O + O2 -> 2 CO + O' reacexp(148) = 'HCCO + H -> CH2D-CH2 + CO' reacexp(149) = 'HCCO + O2 -> OH + 2 CO' reacexp(150) = 'HCCO + O -> H + 2 CO' reacexp(151) = 'CH3 + HCCO -> C2H4 + CO' reacexp(152) = 'HCCO + OH -> C2O + H2O' reacexp(153) = 'CH2CO + H -> HCCO + H2' reacexp(154) = 'CH2CO + O -> CH2 + CO2' reacexp(155) = 'CH2CO + OH -> HCCO + H2O' reacexp(156) = 'CH2CO + H -> CH3 + CO' reacexp(157) = 'CH2CO + H + M28 -> CH2CHO + M28' reacexp(158) = 'CH2CO + O -> HCCO + OH' reacexp(159) = 'CH2CHO + O -> CH2CO + OH' reacexp(160) = 'CH2CHO + OH -> CH2CO + H2O' reacexp(161) = 'CH2CHO + H -> CH2CO + H2' reacexp(162) = 'CH2CHO + O2 -> CH2O + CO + OH' reacexp(163) = 'CH2CHO + H -> CH3 + HCO' reacexp(164) = 'CH2CHO -> CH3 + CO' reacexp(165) = 'CH2CHO + O2 -> CH2CO + HO2' reacexp(166) = 'C3H3 + H -> P-C3H4' reacexp(167) = 'C3H3 + HO2 -> OH + CO + C2H3' reacexp(168) = 'C3H3 + O2 -> CH2CO + HCO' reacexp(169) = 'C3H3 + HO2 -> P-C3H4 + O2' reacexp(170) = 'C3H3 + O -> CH2O + C2H' reacexp(171) = 'P-C3H4 + OH -> C3H3 + H2O' reacexp(172) = 'P-C3H4 + O -> C2H4 + CO' reacexp(173) = 'P-C3H4 + H -> C3H3 + H2' reacexp(174) = 'P-C3H4 + CH3 -> C3H3 + CH4' reacexp(175) = 'P-C3H4 + O -> HCCO + CH3' reacexp(176) = 'CH3CHCH + HO2 -> C2H4 + HCO + OH' reacexp(177) = 'CH3CHCH + OH -> C2H4 + HCO + H' reacexp(178) = 'CH3CHCH + H -> P-C3H4 + H2' reacexp(179) = 'CH3CHCH + O -> C2H4 + HCO' reacexp(180) = 'CH3CHCH -> H + P-C3H4' reacexp(181) = 'CH3 + A-C3H5 -> C2H3 + C2H5' reacexp(182) = 'A-C3H5 + HO2 -> C3H6 + O2' reacexp(183) = 'A-C3H5 + CH3 + M42 -> C4H81-C4H8 + M42' reacexp(184) = 'A-C3H5 + H + M41 -> C3H6 + M41' reacexp(185) = 'A-C3H5 + HO2 -> OH + C2H3 + CH2O' reacexp(186) = 'C3H6 + OH -> CH3CHCH + H2O' reacexp(187) = 'C3H6 + O -> A-C3H5 + OH' reacexp(188) = 'C3H6 + O -> CH3CHCH + OH' reacexp(189) = 'C3H6 + H -> CH3CHCH + H2' reacexp(190) = 'C3H6 + H -> C2H4 + CH3' reacexp(191) = 'C3H6 + O -> C2H5 + HCO' reacexp(192) = 'C3H6 + OH -> A-C3H5 + H2O' reacexp(193) = 'C3H6 + HO2 -> A-C3H5 + H2O2' reacexp(194) = 'C3H6 + CH3 -> A-C3H5 + CH4' reacexp(195) = 'C3H6 + O -> CH2CO + CH3 + H' reacexp(196) = 'C3H6 + H -> A-C3H5 + H2' reacexp(197) = 'C3H6 + H + M43 -> N-C3H7 + M43' reacexp(198) = 'N-C3H7 + O2 -> C3H6 + HO2' reacexp(199) = 'N-C3H7 + OH -> C3H6 + H2O' reacexp(200) = 'N-C3H7 + O -> C2H5 + CH2O' reacexp(201) = 'N-C3H7 + H -> C2H5 + CH3' reacexp(202) = 'N-C3H7 + HO2 -> C2H5 + OH + CH2O' reacexp(203) = 'N-C3H7 + CH3 -> CH4 + C3H6' reacexp(204) = 'C4H2 + OH -> H2C4O + H' reacexp(205) = 'C4H4 + O -> C3H3 + HCO' reacexp(206) = 'I-C4H5 + H -> C4H4 + H2' reacexp(207) = 'H + I-C4H5 -> C4H6' reacexp(208) = 'I-C4H5 + H -> C4H5-2-C4H5 + H' reacexp(209) = 'C3H6 + I-C4H5 -> A-C3H5 + C4H6' reacexp(210) = 'I-C4H5 -> C2H2 + C2H3' reacexp(211) = 'H + I-C4H5 -> 2 C2H3' reacexp(212) = 'I-C4H5 -> H + C4H4' reacexp(213) = 'I-C4H5 + O2 -> CH2CO + CH2CHO' reacexp(214) = 'I-C4H5 + OH -> C4H4 + H2O' reacexp(215) = 'I-C4H5 + HO2 -> C2H3 + CH2CO + OH' reacexp(216) = 'I-C4H5 + H -> C3H3 + CH3' reacexp(217) = 'C4H5-2-C4H5 + C2H2 -> C6H6 + H' reacexp(218) = 'C4H5-2-C4H5 -> I-C4H5' reacexp(219) = 'C4H6 + OH -> I-C4H5 + H2O' reacexp(220) = 'C4H6 + CH3 -> I-C4H5 + CH4' reacexp(221) = 'C4H6 + H -> C2H4 + C2H3' reacexp(222) = 'C4H6 + O -> I-C4H5 + OH' reacexp(223) = 'C4H6 + H -> I-C4H5 + H2' reacexp(224) = 'C4H7 + CH3 -> C4H6 + CH4' reacexp(225) = 'C4H7 + H -> CH3 + A-C3H5' reacexp(226) = 'C4H7 -> C4H6 + H' reacexp(227) = 'C4H7 + HO2 -> CH2O + OH + A-C3H5' reacexp(228) = 'C4H7 -> C2H3 + C2H4' reacexp(229) = 'C4H7 + O2 -> C4H6 + HO2' reacexp(230) = 'C4H7 + H + M47 -> C4H81-C4H8 + M47' reacexp(231) = 'C4H81-C4H8 + H -> C2H4 + C2H5' reacexp(232) = 'C4H81-C4H8 + H -> C3H6 + CH3' reacexp(233) = 'C4H81-C4H8 + H -> C4H7 + H2' reacexp(234) = 'C4H81-C4H8 + O -> N-C3H7 + HCO' reacexp(235) = 'C4H81-C4H8 + OH -> C4H7 + H2O' reacexp(236) = 'C4H81-C4H8 + HO2 -> C4H7 + H2O2' reacexp(237) = 'C4H81-C4H8 + O -> C4H7 + OH' reacexp(238) = 'C4H81-C4H8 + CH3 -> C4H7 + CH4' reacexp(239) = 'C4H81-C4H8 + O -> C4H7 + OH' reacexp(240) = 'H2C4O + OH -> CH2CO + HCCO' reacexp(241) = 'H2C4O + H -> C2H2 + HCCO' reacexp(242) = 'C5H10 -> C2H5 + A-C3H5' reacexp(243) = 'C5H10 + H -> C3H6 + C2H5' reacexp(244) = 'C5H10 + H -> C2H4 + N-C3H7' reacexp(245) = 'C5H10 + H -> C4H6 + CH3 + H2' reacexp(246) = 'O--C6H4 -> C2H2 + C4H2' reacexp(247) = 'C6H5 + H -> O--C6H4 + H2' reacexp(248) = 'C6H5 + CH4 -> C6H6 + CH3' reacexp(249) = 'C6H5 + M66 -> O--C6H4 + H + M66' reacexp(250) = 'C6H5 + H2 -> C6H6 + H' reacexp(251) = 'C6H5 + CH3 -> C6H5CH3' reacexp(252) = 'C6H5 + H + M65 -> C6H6 + M65' reacexp(253) = 'C6H6 + OH -> C6H5 + H2O' reacexp(254) = 'C6H12 + H -> C3H6 + N-C3H7' reacexp(255) = 'C6H12 + O -> C2H4 + N-C3H7 + HCO' reacexp(256) = 'C6H12 + H -> C4H6 + C2H5 + H2' reacexp(257) = 'C6H12 -> A-C3H5 + N-C3H7' reacexp(258) = 'C6H5CH3 + H -> C6H6 + CH3' reacexp(259) = 'C6H5CO -> C6H5 + CO' reacexp(260) = 'N-C12H26 + H -> C5H10 + C4H81-C4H8 + N-C3H7 + H2' reacexp(261) = 'N-C12H26 + OH -> C5H10 + C4H81-C4H8 + N-C3H7 + H2O' reacexp(262) = 'N-C12H26 + HO2 -> C6H12 + C3H6 + N-C3H7 + H2O2' reacexp(263) = 'N-C12H26 + H -> C6H12 + C3H6 + N-C3H7 + H2' reacexp(264) = 'N-C12H26 + H -> C6H12 + C3H6 + N-C3H7 + H2' reacexp(265) = 'N-C12H26 -> 2 C3H6 + 2 N-C3H7' reacexp(266) = 'N-C12H26 + OH -> C6H12 + C3H6 + N-C3H7 + H2O' reacexp(267) = 'N-C12H26 + O2 -> C5H10 + C4H81-C4H8 + N-C3H7 + HO2' reacexp(268) = 'N-C12H26 + CH3 -> C6H12 + C3H6 + N-C3H7 + CH4' reacexp(269) = 'N-C12H26 + O -> C6H12 + C3H6 + N-C3H7 + OH' reacexp(270) = 'N-C12H26 + CH3 -> C6H12 + C3H6 + N-C3H7 + CH4' reacexp(271) = 'N-C12H26 -> C6H12 + C2H4 + N-C3H7 + CH3' reacexp(272) = 'N-C12H26 + O -> C5H10 + C4H81-C4H8 + N-C3H7 + OH' reacexp(273) = 'N-C12H26 + HO2 -> C5H10 + C4H81-C4H8 + N-C3H7 + H2O2' reacexp(274) = 'N-C12H26 + OH -> C6H12 + C3H6 + N-C3H7 + H2O' reacexp(275) = 'N-C12H26 + HO2 -> C6H12 + C3H6 + N-C3H7 + H2O2' reacexp(276) = 'N-C12H26 -> C4H81-C4H8 + C2H4 + 2 N-C3H7' reacexp(277) = 'N-C12H26 -> C6H12 + 2 N-C3H7' reacexp(278) = 'N-C12H26 + CH3 -> C5H10 + C4H81-C4H8 + N-C3H7 + CH4' reacexp(279) = 'N-C12H26 + O -> C6H12 + C3H6 + N-C3H7 + OH' reacexp(280) = 'CH2D-CH2 + N2 -> CH2 + N2' reacexp(281) = 'Reverse of O + H2 -> H + OH' reacexp(282) = 'Reverse of 2 OH + M6 -> H2O2 + M6' reacexp(283) = 'Reverse of 2 OH -> O + H2O' reacexp(284) = 'Reverse of OH + H2 -> H + H2O' reacexp(285) = 'Reverse of H + OH + M2 -> H2O + M2' reacexp(286) = 'Reverse of H + O2 -> O + OH' reacexp(287) = 'Reverse of H2 + O2 -> HO2 + H' reacexp(288) = 'Reverse of H + O2 + M5 -> HO2 + M5' reacexp(289) = 'Reverse of HO2 + H -> 2 OH' reacexp(290) = 'Reverse of OH + HO2 -> H2O + O2' reacexp(291) = 'Reverse of H2O2 + OH -> HO2 + H2O' reacexp(292) = 'Reverse of CH + H2 -> CH2 + H' reacexp(293) = 'Reverse of CH2 + H2 -> H + CH3' reacexp(294) = 'Reverse of CH2 + OH -> CH + H2O' reacexp(295) = 'Reverse of CH2D-CH2 + H2 -> CH3 + H' reacexp(296) = 'Reverse of CH2D-CH2 + H2O -> CH2 + H2O' reacexp(297) = 'Reverse of CH3 + H2O2 -> CH4 + HO2' reacexp(298) = 'Reverse of 2 CH3 + M19 -> C2H6 + M19' reacexp(299) = 'Reverse of 2 CH3 -> H + C2H5' reacexp(300) = 'Reverse of CH3 + OH -> CH2D-CH2 + H2O' reacexp(301) = 'Reverse of CH3 + OH -> CH2 + H2O' reacexp(302) = 'Reverse of CH3 + H + M17 -> CH4 + M17' reacexp(303) = 'Reverse of CH4 + O -> CH3 + OH' reacexp(304) = 'Reverse of CH4 + H -> CH3 + H2' reacexp(305) = 'Reverse of CH4 + OH -> CH3 + H2O' reacexp(306) = 'Reverse of CH2 + CO + M13 -> CH2CO + M13' reacexp(307) = 'Reverse of CH + CO + M10 -> HCCO + M10' reacexp(308) = 'Reverse of CO + OH -> CO2 + H' reacexp(309) = 'Reverse of CH2D-CH2 + CO -> CH2 + CO' reacexp(310) = 'Reverse of CO + OH -> CO2 + H' reacexp(311) = 'Reverse of HCO + H2O -> CO + H + H2O' reacexp(312) = 'Reverse of HCO + M8 -> CO + H + M8' reacexp(313) = 'Reverse of CH2D-CH2 + CO2 -> CH2 + CO2' reacexp(314) = 'Reverse of C2H + H2 -> H + C2H2' reacexp(315) = 'Reverse of C2H2 + CH3 -> P-C3H4 + H' reacexp(316) = 'Reverse of C2H2 + CH3 -> CH3CHCH' reacexp(317) = 'Reverse of C2H2 + O -> HCCO + H' reacexp(318) = 'Reverse of C2H2 + O -> C2H + OH' reacexp(319) = 'Reverse of C2H2 + OH -> C2H + H2O' reacexp(320) = 'Reverse of C2H2 + C2H -> C4H2 + H' reacexp(321) = 'Reverse of H2CC + C2H2 + M27 -> C4H4 + M27' reacexp(322) = 'Reverse of C2H2 + M23 -> H2CC + M23' reacexp(323) = 'Reverse of H2CC + H -> C2H2 + H' reacexp(324) = 'Reverse of C2H3 + CH3 -> A-C3H5 + H' reacexp(325) = 'Reverse of C2H3 + M24 -> C2H2 + H + M24' reacexp(326) = 'Reverse of C2H3 + C2H2 -> C4H4 + H' reacexp(327) = 'Reverse of C2H3 + O2 -> C2H2 + HO2' reacexp(328) = 'Reverse of C2H3 + CH3 + M30 -> C3H6 + M30' reacexp(329) = 'Reverse of C2H4 + CH2D-CH2 -> A-C3H5 + H' reacexp(330) = 'Reverse of C2H4 + CH2 -> A-C3H5 + H' reacexp(331) = 'Reverse of C2H4 + H + M36 -> C2H5 + M36' reacexp(332) = 'Reverse of C2H4 + O -> C2H3 + OH' reacexp(333) = 'Reverse of C2H4 + H -> C2H3 + H2' reacexp(334) = 'Reverse of C2H4 + OH -> C2H3 + H2O' reacexp(335) = 'Reverse of C2H4 + CH3 -> N-C3H7' reacexp(336) = 'Reverse of C2H4 + CH3 -> C2H3 + CH4' reacexp(337) = 'Reverse of C2H5 + O2 -> C2H4 + HO2' reacexp(338) = 'Reverse of C2H6 + H -> C2H5 + H2' reacexp(339) = 'Reverse of C2O + H -> CH + CO' reacexp(340) = 'Reverse of HCCO + H -> CH2D-CH2 + CO' reacexp(341) = 'Reverse of HCCO + OH -> C2O + H2O' reacexp(342) = 'Reverse of CH2CO + H -> HCCO + H2' reacexp(343) = 'Reverse of CH2CO + OH -> HCCO + H2O' reacexp(344) = 'Reverse of CH2CO + H -> CH3 + CO' reacexp(345) = 'Reverse of CH2CO + H + M28 -> CH2CHO + M28' reacexp(346) = 'Reverse of CH2CO + O -> HCCO + OH' reacexp(347) = 'Reverse of CH2CHO + O2 -> CH2CO + HO2' reacexp(348) = 'Reverse of C3H3 + H -> P-C3H4' reacexp(349) = 'Reverse of A-C3H5 + HO2 -> C3H6 + O2' reacexp(350) = 'Reverse of A-C3H5 + CH3 + M42 -> C4H81-C4H8 + M42' reacexp(351) = 'Reverse of A-C3H5 + H + M41 -> C3H6 + M41' reacexp(352) = 'Reverse of C3H6 + OH -> CH3CHCH + H2O' reacexp(353) = 'Reverse of C3H6 + H -> CH3CHCH + H2' reacexp(354) = 'Reverse of C3H6 + H -> C2H4 + CH3' reacexp(355) = 'Reverse of C3H6 + H -> A-C3H5 + H2' reacexp(356) = 'Reverse of C3H6 + H + M43 -> N-C3H7 + M43' reacexp(357) = 'Reverse of N-C3H7 + O2 -> C3H6 + HO2' reacexp(358) = 'Reverse of I-C4H5 + H -> C4H5-2-C4H5 + H' reacexp(359) = 'Reverse of C4H5-2-C4H5 + C2H2 -> C6H6 + H' reacexp(360) = 'Reverse of C4H5-2-C4H5 -> I-C4H5' reacexp(361) = 'Reverse of C4H6 + H -> C2H4 + C2H3' reacexp(362) = 'Reverse of C4H6 + H -> I-C4H5 + H2' reacexp(363) = 'Reverse of C4H7 -> C4H6 + H' reacexp(364) = 'Reverse of C4H81-C4H8 + H -> C2H4 + C2H5' reacexp(365) = 'Reverse of C4H81-C4H8 + H -> C3H6 + CH3' reacexp(366) = 'Reverse of C4H81-C4H8 + H -> C4H7 + H2' reacexp(367) = 'Reverse of C6H5 + CH4 -> C6H6 + CH3' reacexp(368) = 'Reverse of C6H5 + M66 -> O--C6H4 + H + M66' reacexp(369) = 'Reverse of C6H5 + H2 -> C6H6 + H' reacexp(370) = 'Reverse of C6H6 + OH -> C6H5 + H2O' reacexp(371) = 'Reverse of C6H5CH3 + H -> C6H6 + CH3' reacexp(372) = 'Reverse of C6H5CO -> C6H5 + CO' reacexp(373) = '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(281) = 2 fofb(282) = 3 fofb(283) = 4 fofb(284) = 5 fofb(285) = 6 fofb(286) = 7 fofb(287) = 8 fofb(288) = 9 fofb(289) = 15 fofb(290) = 19 fofb(291) = 20 fofb(292) = 24 fofb(293) = 30 fofb(294) = 32 fofb(295) = 34 fofb(296) = 37 fofb(297) = 40 fofb(298) = 45 fofb(299) = 46 fofb(300) = 47 fofb(301) = 48 fofb(302) = 50 fofb(303) = 54 fofb(304) = 56 fofb(305) = 57 fofb(306) = 58 fofb(307) = 59 fofb(308) = 62 fofb(309) = 63 fofb(310) = 64 fofb(311) = 65 fofb(312) = 67 fofb(313) = 84 fofb(314) = 85 fofb(315) = 89 fofb(316) = 92 fofb(317) = 94 fofb(318) = 95 fofb(319) = 96 fofb(320) = 99 fofb(321) = 100 fofb(322) = 101 fofb(323) = 102 fofb(324) = 108 fofb(325) = 111 fofb(326) = 112 fofb(327) = 116 fofb(328) = 117 fofb(329) = 120 fofb(330) = 121 fofb(331) = 123 fofb(332) = 125 fofb(333) = 126 fofb(334) = 127 fofb(335) = 131 fofb(336) = 132 fofb(337) = 135 fofb(338) = 141 fofb(339) = 146 fofb(340) = 148 fofb(341) = 152 fofb(342) = 153 fofb(343) = 155 fofb(344) = 156 fofb(345) = 157 fofb(346) = 158 fofb(347) = 165 fofb(348) = 166 fofb(349) = 182 fofb(350) = 183 fofb(351) = 184 fofb(352) = 186 fofb(353) = 189 fofb(354) = 190 fofb(355) = 196 fofb(356) = 197 fofb(357) = 198 fofb(358) = 208 fofb(359) = 217 fofb(360) = 218 fofb(361) = 221 fofb(362) = 223 fofb(363) = 226 fofb(364) = 231 fofb(365) = 232 fofb(366) = 233 fofb(367) = 248 fofb(368) = 249 fofb(369) = 250 fofb(370) = 253 fofb(371) = 258 fofb(372) = 259 fofb(373) = 280 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(27) :: M real(pr) :: PXC3H4_denom1& , PXC3H4_ct1& , PXC3H4_denom2& , PXC3H4_ct2& , PXC3H4_CH2CHO& , PXC3H4_H2C4O& , PXC3H4_AXC3H5& , PXC3H4_C4H2& , PXC3H4_CH2CHO_coeff& , PXC3H4_H2C4O_coeff& , PXC3H4_AXC3H5_coeff& , PXC3H4_C4H2_coeff real(pr) :: OXXC6H4_denom1& , OXXC6H4_ct1& , OXXC6H4_denom2& , OXXC6H4_ct2& , OXXC6H4_C6H5& , OXXC6H4_C6H5CO& , OXXC6H4_C6H5_coeff& , OXXC6H4_C6H5CO_coeff real(pr) :: H2C4O_denom1& , H2C4O_ct1& , H2C4O_denom2& , H2C4O_ct2& , H2C4O_AXC3H5& , H2C4O_C4H2& , H2C4O_AXC3H5_coeff& , H2C4O_C4H2_coeff real(pr) :: C4H4_denom1& , C4H4_ct1& , C4H4_denom2& , C4H4_ct2& , C4H4_C2H& , C4H4_H2CC& , C4H4_C2H3& , C4H4_C3H3& , C4H4_HCO& , C4H4_CH& , C4H4_C2O& , C4H4_CH2DXCH2& , C4H4_CH2& , C4H4_HCCO& , C4H4_PXC3H4& , C4H4_CH2CHO& , C4H4_H2C4O& , C4H4_AXC3H5& , C4H4_C4H2& , C4H4_C2H_coeff& , C4H4_H2CC_coeff& , C4H4_C2H3_coeff& , C4H4_C3H3_coeff& , C4H4_HCO_coeff& , C4H4_CH_coeff& , C4H4_C2O_coeff& , C4H4_CH2DXCH2_coeff& , C4H4_CH2_coeff& , C4H4_HCCO_coeff& , C4H4_PXC3H4_coeff& , C4H4_CH2CHO_coeff& , C4H4_H2C4O_coeff& , C4H4_AXC3H5_coeff& , C4H4_C4H2_coeff real(pr) :: HCCO_denom1& , HCCO_ct1& , HCCO_denom2& , HCCO_ct2& , HCCO_PXC3H4& , HCCO_CH2CHO& , HCCO_H2C4O& , HCCO_AXC3H5& , HCCO_C4H2& , HCCO_PXC3H4_coeff& , HCCO_CH2CHO_coeff& , HCCO_H2C4O_coeff& , HCCO_AXC3H5_coeff& , HCCO_C4H2_coeff real(pr) :: C6H5CO_denom1& , C6H5CO_ct1& , C6H5CO_denom2& , C6H5CO_ct2 real(pr) :: C6H5_denom1& , C6H5_ct1& , C6H5_denom2& , C6H5_ct2& , C6H5_C6H5CO& , C6H5_C6H5CO_coeff real(pr) :: C3H3_denom1& , C3H3_ct1& , C3H3_denom2& , C3H3_ct2& , C3H3_HCO& , C3H3_CH& , C3H3_C2O& , C3H3_CH2DXCH2& , C3H3_CH2& , C3H3_HCCO& , C3H3_PXC3H4& , C3H3_CH2CHO& , C3H3_H2C4O& , C3H3_AXC3H5& , C3H3_C4H2& , C3H3_HCO_coeff& , C3H3_CH_coeff& , C3H3_C2O_coeff& , C3H3_CH2DXCH2_coeff& , C3H3_CH2_coeff& , C3H3_HCCO_coeff& , C3H3_PXC3H4_coeff& , C3H3_CH2CHO_coeff& , C3H3_H2C4O_coeff& , C3H3_AXC3H5_coeff& , C3H3_C4H2_coeff real(pr) :: IXC4H5_denom1& , IXC4H5_ct1& , IXC4H5_denom2& , IXC4H5_ct2& , IXC4H5_C4H5X2XC4H5& , IXC4H5_C4H5X2XC4H5_coeff real(pr) :: C4H2_denom1& , C4H2_ct1& , C4H2_denom2& , C4H2_ct2 real(pr) :: CH2DXCH2_denom1& , CH2DXCH2_ct1& , CH2DXCH2_denom2& , CH2DXCH2_ct2& , CH2DXCH2_CH2& , CH2DXCH2_HCCO& , CH2DXCH2_PXC3H4& , CH2DXCH2_CH2CHO& , CH2DXCH2_H2C4O& , CH2DXCH2_AXC3H5& , CH2DXCH2_C4H2& , CH2DXCH2_CH2_coeff& , CH2DXCH2_HCCO_coeff& , CH2DXCH2_PXC3H4_coeff& , CH2DXCH2_CH2CHO_coeff& , CH2DXCH2_H2C4O_coeff& , CH2DXCH2_AXC3H5_coeff& , CH2DXCH2_C4H2_coeff real(pr) :: CH_denom1& , CH_ct1& , CH_denom2& , CH_ct2& , CH_C2O& , CH_CH2DXCH2& , CH_CH2& , CH_HCCO& , CH_PXC3H4& , CH_CH2CHO& , CH_H2C4O& , CH_AXC3H5& , CH_C4H2& , CH_C2O_coeff& , CH_CH2DXCH2_coeff& , CH_CH2_coeff& , CH_HCCO_coeff& , CH_PXC3H4_coeff& , CH_CH2CHO_coeff& , CH_H2C4O_coeff& , CH_AXC3H5_coeff& , CH_C4H2_coeff real(pr) :: C2H_denom1& , C2H_ct1& , C2H_denom2& , C2H_ct2& , C2H_H2CC& , C2H_C2H3& , C2H_C3H3& , C2H_HCO& , C2H_CH& , C2H_C2O& , C2H_CH2DXCH2& , C2H_CH2& , C2H_HCCO& , C2H_PXC3H4& , C2H_CH2CHO& , C2H_H2C4O& , C2H_AXC3H5& , C2H_C4H2& , C2H_H2CC_coeff& , C2H_C2H3_coeff& , C2H_C3H3_coeff& , C2H_HCO_coeff& , C2H_CH_coeff& , C2H_C2O_coeff& , C2H_CH2DXCH2_coeff& , C2H_CH2_coeff& , C2H_HCCO_coeff& , C2H_PXC3H4_coeff& , C2H_CH2CHO_coeff& , C2H_H2C4O_coeff& , C2H_AXC3H5_coeff& , C2H_C4H2_coeff real(pr) :: C2H3_denom1& , C2H3_ct1& , C2H3_denom2& , C2H3_ct2& , C2H3_C3H3& , C2H3_HCO& , C2H3_CH& , C2H3_C2O& , C2H3_CH2DXCH2& , C2H3_CH2& , C2H3_HCCO& , C2H3_PXC3H4& , C2H3_CH2CHO& , C2H3_H2C4O& , C2H3_AXC3H5& , C2H3_C4H2& , C2H3_C3H3_coeff& , C2H3_HCO_coeff& , C2H3_CH_coeff& , C2H3_C2O_coeff& , C2H3_CH2DXCH2_coeff& , C2H3_CH2_coeff& , C2H3_HCCO_coeff& , C2H3_PXC3H4_coeff& , C2H3_CH2CHO_coeff& , C2H3_H2C4O_coeff& , C2H3_AXC3H5_coeff& , C2H3_C4H2_coeff real(pr) :: CH2CHO_denom1& , CH2CHO_ct1& , CH2CHO_denom2& , CH2CHO_ct2& , CH2CHO_H2C4O& , CH2CHO_AXC3H5& , CH2CHO_C4H2& , CH2CHO_H2C4O_coeff& , CH2CHO_AXC3H5_coeff& , CH2CHO_C4H2_coeff real(pr) :: CH2_denom1& , CH2_ct1& , CH2_denom2& , CH2_ct2& , CH2_HCCO& , CH2_PXC3H4& , CH2_CH2CHO& , CH2_H2C4O& , CH2_AXC3H5& , CH2_C4H2& , CH2_HCCO_coeff& , CH2_PXC3H4_coeff& , CH2_CH2CHO_coeff& , CH2_H2C4O_coeff& , CH2_AXC3H5_coeff& , CH2_C4H2_coeff real(pr) :: C2O_denom1& , C2O_ct1& , C2O_denom2& , C2O_ct2& , C2O_CH2DXCH2& , C2O_CH2& , C2O_HCCO& , C2O_PXC3H4& , C2O_CH2CHO& , C2O_H2C4O& , C2O_AXC3H5& , C2O_C4H2& , C2O_CH2DXCH2_coeff& , C2O_CH2_coeff& , C2O_HCCO_coeff& , C2O_PXC3H4_coeff& , C2O_CH2CHO_coeff& , C2O_H2C4O_coeff& , C2O_AXC3H5_coeff& , C2O_C4H2_coeff real(pr) :: HCO_denom1& , HCO_ct1& , HCO_denom2& , HCO_ct2& , HCO_CH& , HCO_C2O& , HCO_CH2DXCH2& , HCO_CH2& , HCO_HCCO& , HCO_PXC3H4& , HCO_CH2CHO& , HCO_H2C4O& , HCO_AXC3H5& , HCO_C4H2& , HCO_CH_coeff& , HCO_C2O_coeff& , HCO_CH2DXCH2_coeff& , HCO_CH2_coeff& , HCO_HCCO_coeff& , HCO_PXC3H4_coeff& , HCO_CH2CHO_coeff& , HCO_H2C4O_coeff& , HCO_AXC3H5_coeff& , HCO_C4H2_coeff real(pr) :: AXC3H5_denom1& , AXC3H5_ct1& , AXC3H5_denom2& , AXC3H5_ct2& , AXC3H5_C4H2& , AXC3H5_C4H2_coeff real(pr) :: C4H5X2XC4H5_denom1& , C4H5X2XC4H5_ct1& , C4H5X2XC4H5_denom2& , C4H5X2XC4H5_ct2 real(pr) :: H2CC_denom1& , H2CC_ct1& , H2CC_denom2& , H2CC_ct2& , H2CC_C2H3& , H2CC_C3H3& , H2CC_HCO& , H2CC_CH& , H2CC_C2O& , H2CC_CH2DXCH2& , H2CC_CH2& , H2CC_HCCO& , H2CC_PXC3H4& , H2CC_CH2CHO& , H2CC_H2C4O& , H2CC_AXC3H5& , H2CC_C4H2& , H2CC_C2H3_coeff& , H2CC_C3H3_coeff& , H2CC_HCO_coeff& , H2CC_CH_coeff& , H2CC_C2O_coeff& , H2CC_CH2DXCH2_coeff& , H2CC_CH2_coeff& , H2CC_HCCO_coeff& , H2CC_PXC3H4_coeff& , H2CC_CH2CHO_coeff& , H2CC_H2C4O_coeff& , H2CC_AXC3H5_coeff& , H2CC_C4H2_coeff ! ! c(sOXXC6H4) c(sC6H5) c(sC6H5CO) (coupled) -------------------- ! ! Primary denominators----------------------- OXXC6H4_denom1 = tiny(1.0_pr) + (0.0_pr & + k(r254) & + k(r257b) * c(sH) & ) C6H5_denom1 = tiny(1.0_pr) + (0.0_pr & + k(r255) * c(sH) & + k(r256f) * c(sCH4) & + k(r257f) & + k(r258f) * c(sH2) & + k(r259) * c(sCH3) & + k(r260) * c(sH) & + k(r261b) * c(sH2O) & + k(r267b) * c(sCO) & ) C6H5CO_denom1 = tiny(1.0_pr) + (0.0_pr & + k(r267f) & ) ! ! Primary constant parts ----------------------- OXXC6H4_ct1 = (0.0_pr) C6H5_ct1 = (0.0_pr & + k(r256b) * c(sCH3) * c(sC6H6) & + k(r258b) * c(sH) * c(sC6H6) & + k(r261f) * c(sC6H6) * c(sOH)) C6H5CO_ct1 = (0.0_pr) ! ! OXXC6H4 --------------------------------------- OXXC6H4_denom2 = tiny(1.0_pr) + (OXXC6H4_denom1) OXXC6H4_ct2 = (OXXC6H4_ct1 & ) / OXXC6H4_denom2 OXXC6H4_C6H5 = (0.0_pr & + k(r255) * c(sH) + k(r257f) & ) / OXXC6H4_denom2 OXXC6H4_C6H5CO = (0.0_pr & ) / OXXC6H4_denom2 OXXC6H4_C6H5_coeff = (0.0_pr & + k(r257b) * c(sH) & ) OXXC6H4_C6H5CO_coeff = (0.0_pr & ) ! ! C6H5 --------------------------------------- C6H5_denom2 = tiny(1.0_pr) + (C6H5_denom1 & - OXXC6H4_C6H5_coeff * OXXC6H4_C6H5) C6H5_ct2 = (C6H5_ct1 & + OXXC6H4_C6H5_coeff * OXXC6H4_ct2 & ) / C6H5_denom2 C6H5_C6H5CO = (0.0_pr & + k(r267f) & + OXXC6H4_C6H5_coeff * OXXC6H4_C6H5CO& ) / C6H5_denom2 C6H5_C6H5CO_coeff = (0.0_pr & + k(r267b) * c(sCO) & + OXXC6H4_C6H5CO_coeff * OXXC6H4_C6H5 & ) ! ! C6H5CO --------------------------------------- C6H5CO_denom2 = tiny(1.0_pr) + (C6H5CO_denom1 & - OXXC6H4_C6H5CO_coeff * OXXC6H4_C6H5CO & - C6H5_C6H5CO_coeff * C6H5_C6H5CO) C6H5CO_ct2 = (C6H5CO_ct1 & + OXXC6H4_C6H5CO_coeff * OXXC6H4_ct2 & + C6H5_C6H5CO_coeff * C6H5_ct2 & ) / C6H5CO_denom2 ! ! Reconstruction ------------------------------------ cqss(sC6H5CO - nspec) = (C6H5CO_ct2) cqss(sC6H5 - nspec) = (C6H5_ct2 & + C6H5_C6H5CO * cqss(sC6H5CO - nspec)) cqss(sOXXC6H4 - nspec) = (OXXC6H4_ct2 & + OXXC6H4_C6H5 * cqss(sC6H5 - nspec)& + OXXC6H4_C6H5CO * cqss(sC6H5CO - nspec)) ! ! c(sIXC4H5) c(sC4H5X2XC4H5) (coupled) -------------------- ! ! Primary denominators----------------------- IXC4H5_denom1 = tiny(1.0_pr) + (0.0_pr & + k(r214) * c(sH) & + k(r215) * c(sH) & + k(r216f) * c(sH) & + k(r217) * c(sC3H6) & + k(r218) & + k(r219) * c(sH) & + k(r220) & + k(r221) * c(sO2) & + k(r222) * c(sOH) & + k(r223) * c(sHO2) & + k(r224) * c(sH) & + k(r226b) & + k(r231b) * c(sH2) & ) C4H5X2XC4H5_denom1 = tiny(1.0_pr) + (0.0_pr & + k(r216b) * c(sH) & + k(r225f) * c(sC2H2) & + k(r226f) & ) ! ! Primary constant parts ----------------------- IXC4H5_ct1 = (0.0_pr & + k(r227) * c(sC4H6) * c(sOH) & + k(r228) * c(sC4H6) * c(sCH3) & + k(r230) * c(sC4H6) * c(sO) & + k(r231f) * c(sC4H6) * c(sH)) C4H5X2XC4H5_ct1 = (0.0_pr & + k(r225b) * c(sH) * c(sC6H6)) ! ! IXC4H5 --------------------------------------- IXC4H5_denom2 = tiny(1.0_pr) + (IXC4H5_denom1) IXC4H5_ct2 = (IXC4H5_ct1 & ) / IXC4H5_denom2 IXC4H5_C4H5X2XC4H5 = (0.0_pr & + k(r216b) * c(sH) + k(r226f) & ) / IXC4H5_denom2 IXC4H5_C4H5X2XC4H5_coeff = (0.0_pr & + k(r216f) * c(sH) + k(r226b) & ) ! ! C4H5X2XC4H5 --------------------------------------- C4H5X2XC4H5_denom2 = tiny(1.0_pr) + (C4H5X2XC4H5_denom1 & - IXC4H5_C4H5X2XC4H5_coeff * IXC4H5_C4H5X2XC4H5) C4H5X2XC4H5_ct2 = (C4H5X2XC4H5_ct1 & + IXC4H5_C4H5X2XC4H5_coeff * IXC4H5_ct2 & ) / C4H5X2XC4H5_denom2 ! ! Reconstruction ------------------------------------ cqss(sC4H5X2XC4H5 - nspec) = (C4H5X2XC4H5_ct2) cqss(sIXC4H5 - nspec) = (IXC4H5_ct2 & + IXC4H5_C4H5X2XC4H5 * cqss(sC4H5X2XC4H5 - nspec)) ! ! cqss(sNXC3H7) (uncoupled) -------------------- cqss(sNXC3H7 - nspec) = (0.0_pr & + k(r132f) * c(sC2H4) * c(sCH3) & + k(r205f) * c(sC3H6) * c(sH) & + k(r206b) * c(sHO2) * c(sC3H6) & + k(r242) * c(sC4H81XC4H8) * c(sO) & + k(r252) * c(sC5H10) * c(sH) & + k(r262) * c(sC6H12) * c(sH) & + k(r263) * c(sC6H12) * c(sO) & + k(r265) * c(sC6H12) & + k(r268) * c(sNXC12H26) * c(sH) & + k(r269) * c(sNXC12H26) * c(sOH) & + k(r270) * c(sNXC12H26) * c(sHO2) & + k(r271) * c(sNXC12H26) * c(sH) & + k(r272) * c(sNXC12H26) * c(sH) & + k(r273) * 2.0 * c(sNXC12H26) & + k(r274) * c(sNXC12H26) * c(sOH) & + k(r275) * c(sNXC12H26) * c(sO2) & + k(r276) * c(sNXC12H26) * c(sCH3) & + k(r277) * c(sNXC12H26) * c(sO) & + k(r278) * c(sNXC12H26) * c(sCH3) & + k(r279) * c(sNXC12H26) & + k(r280) * c(sNXC12H26) * c(sO) & + k(r281) * c(sNXC12H26) * c(sHO2) & + k(r282) * c(sNXC12H26) * c(sOH) & + k(r283) * c(sNXC12H26) * c(sHO2) & + k(r284) * 2.0 * c(sNXC12H26) & + k(r285) * 2.0 * c(sNXC12H26) & + k(r286) * c(sNXC12H26) * c(sCH3) & + k(r287) * c(sNXC12H26) * c(sO) & ) / (tiny(1.0_pr) + (& + k(r132b) & + k(r205b) & + k(r206f) * c(sO2) & + k(r207) * c(sOH) & + k(r208) * c(sO) & + k(r209) * c(sH) & + k(r210) * c(sHO2) & + k(r211) * c(sCH3))) ! ! cqss(sC6H5CH3) (uncoupled) -------------------- cqss(sC6H5CH3 - nspec) = (0.0_pr & + k(r259) * cqss(sC6H5 - nspec) * c(sCH3) & + k(r266b) * c(sCH3) * c(sC6H6) & ) / (tiny(1.0_pr) + (& + k(r266f) * c(sH))) ! ! cqss(sC4H7) (uncoupled) -------------------- cqss(sC4H7 - nspec) = (0.0_pr & + k(r234b) * c(sH) * c(sC4H6) & + k(r241f) * c(sC4H81XC4H8) * c(sH) & + k(r243) * c(sC4H81XC4H8) * c(sOH) & + k(r244) * c(sC4H81XC4H8) * c(sHO2) & + k(r245) * c(sC4H81XC4H8) * c(sO) & + k(r246) * c(sC4H81XC4H8) * c(sCH3) & + k(r247) * c(sC4H81XC4H8) * c(sO) & ) / (tiny(1.0_pr) + (& + k(r232) * c(sCH3) & + k(r233) * c(sH) & + k(r234f) & + k(r235) * c(sHO2) & + k(r236) & + k(r237) * c(sO2) & + k(r238) * c(sH) & + k(r241b) * c(sH2))) ! ! cqss(sCH3O) (uncoupled) -------------------- cqss(sCH3O - nspec) = (0.0_pr & + k(r44) * c(sCH3) * c(sHO2) & + k(r53) * c(sCH3) * c(sO2) & ) / (tiny(1.0_pr) + (& + k(r79) * c(sO2) & + k(r80) & + k(r81) * c(sH))) ! ! cqss(sCH3CHCH) (uncoupled) -------------------- cqss(sCH3CHCH - nspec) = (0.0_pr & + k(r92f) * c(sC2H2) * c(sCH3) & + k(r194f) * c(sC3H6) * c(sOH) & + k(r196) * c(sC3H6) * c(sO) & + k(r197f) * c(sC3H6) * c(sH) & ) / (tiny(1.0_pr) + (& + k(r92b) & + k(r183) * c(sHO2) & + k(r184) * c(sOH) & + k(r185) * c(sH) & + k(r186) * c(sO) & + k(r187) & + k(r194b) * c(sH2O) & + k(r197b) * c(sH2))) ! ! c(sC4H4) c(sC2H) c(sH2CC) c(sC2H3) c(sC3H3) c(sHCO) c(sCH) c(sC2O) c(sCH2DXCH2) c(sCH2) c(sHCCO) c(sPXC3H4) c(sCH2CHO) c(sH2C4O) c(sAXC3H5) c(sC4H2) (coupled) -------------------- ! ! Primary denominators----------------------- C4H4_denom1 = tiny(1.0_pr) + (0.0_pr & + k(r100b) & + k(r112b) * c(sH) & + k(r213) * c(sO) & ) C2H_denom1 = tiny(1.0_pr) + (0.0_pr & + k(r85f) * c(sH2) & + k(r86) * c(sO2) & + k(r87) * c(sOH) & + k(r88) * c(sO) & + k(r95b) * c(sOH) & + k(r96b) * c(sH2O) & + k(r99f) * c(sC2H2) & + k(r134) * c(sC2H4) & ) H2CC_denom1 = tiny(1.0_pr) + (0.0_pr & + k(r100f) * c(sC2H2) & + k(r101b) & + k(r102f) * c(sH) & + k(r103) * c(sOH) & + k(r104) * c(sO2) & ) C2H3_denom1 = tiny(1.0_pr) + (0.0_pr & + k(r105) * c(sO) & + k(r106) * c(sH) & + k(r107) * c(sO2) & + k(r108f) * c(sCH3) & + k(r109) * c(sO2) & + k(r110) * c(sOH) & + k(r111f) & + k(r112f) * c(sC2H2) & + k(r113) * c(sO) & + k(r114) * c(sH) & + k(r115) * c(sHO2) & + k(r116f) * c(sO2) & + k(r117f) * c(sCH3) & + k(r119) * c(sH) & + k(r126b) * c(sOH) & + k(r127b) * c(sH2) & + k(r128b) * c(sH2O) & + k(r133b) * c(sCH4) & + k(r229b) * c(sC2H4) & ) C3H3_denom1 = tiny(1.0_pr) + (0.0_pr & + k(r169f) * c(sH) & + k(r172) * c(sHO2) & + k(r173) * c(sO2) & + k(r174) * c(sHO2) & + k(r175) * c(sO) & ) HCO_denom1 = tiny(1.0_pr) + (0.0_pr & + k(r65f) * c(sH2O) & + k(r66) * c(sH) & + k(r67f) * M(mM8) & + k(r68) * c(sO2) & + k(r69) * c(sO) & + k(r70) * c(sO) & + k(r71) * c(sOH) & + k(r72) * c(sCH3) & + k(r93) * c(sC2H2) & + k(r131) * c(sC2H4) & ) CH_denom1 = tiny(1.0_pr) + (0.0_pr & + k(r22) * c(sO) & + k(r23) * c(sH2O) & + k(r24f) * c(sH2) & + k(r25) * c(sO2) & + k(r26) * c(sOH) & + k(r32b) * c(sH2O) & + k(r52) * c(sCH3) & + k(r55) * c(sCH4) & + k(r59f) * c(sCO) & + k(r83) * c(sCO2) & + k(r123) * c(sC2H4) & + k(r147b) * c(sCO) & ) C2O_denom1 = tiny(1.0_pr) + (0.0_pr & + k(r145) * c(sO) & + k(r146) * c(sOH) & + k(r147f) * c(sH) & + k(r148) * c(sO2) & + k(r155b) * c(sH2O) & ) CH2DXCH2_denom1 = tiny(1.0_pr) + (0.0_pr & + k(r33) * c(sO2) & + k(r34f) * c(sH2) & + k(r35) * c(sO2) & + k(r36) * c(sOH) & + k(r37f) * c(sH2O) & + k(r38) * c(sH) & + k(r47b) * c(sH2O) & + k(r63f) * c(sCO) & + k(r82) * c(sCO2) & + k(r84f) * c(sCO2) & + k(r91) * c(sC2H2) & + k(r121f) * c(sC2H4) & + k(r130) * c(sC2H4) & + k(r149b) * c(sCO) & + k(r288f) * c(sN2) & ) CH2_denom1 = tiny(1.0_pr) + (0.0_pr & + k(r24b) * c(sH) & + k(r27) * c(sO2) & + k(r28) * c(sO) & + k(r29) * c(sOH) & + k(r30f) * c(sH2) & + k(r31) * c(sO2) & + k(r32f) * c(sOH) & + k(r37b) * c(sH2O) & + k(r41) * c(sCH3) & + k(r48b) * c(sH2O) & + k(r58f) * c(sCO) & + k(r63b) * c(sCO) & + k(r84b) * c(sCO2) & + k(r97) * c(sC2H2) & + k(r122f) * c(sC2H4) & + k(r288b) * c(sN2) & ) HCCO_denom1 = tiny(1.0_pr) + (0.0_pr & + k(r59b) & + k(r94b) * c(sH) & + k(r149f) * c(sH) & + k(r150) * c(sO2) & + k(r152) * c(sO) & + k(r153) * c(sCH3) & + k(r155f) * c(sOH) & + k(r156b) * c(sH2) & + k(r158b) * c(sH2O) & + k(r161b) * c(sOH) & ) PXC3H4_denom1 = tiny(1.0_pr) + (0.0_pr & + k(r89b) * c(sH) & + k(r169b) & + k(r177) * c(sOH) & + k(r178) * c(sO) & + k(r179) * c(sH) & + k(r180) * c(sCH3) & + k(r181) * c(sO) & ) CH2CHO_denom1 = tiny(1.0_pr) + (0.0_pr & + k(r160b) & + k(r162) * c(sO) & + k(r163) * c(sOH) & + k(r164) * c(sH) & + k(r165) * c(sO2) & + k(r166) * c(sH) & + k(r167) & + k(r168f) * c(sO2) & ) H2C4O_denom1 = tiny(1.0_pr) + (0.0_pr & + k(r248) * c(sOH) & + k(r249) * c(sH) & ) AXC3H5_denom1 = tiny(1.0_pr) + (0.0_pr & + k(r108b) * c(sH) & + k(r121b) * c(sH) & + k(r122b) * c(sH) & + k(r188) * c(sCH3) & + k(r189f) * c(sHO2) & + k(r190f) * c(sCH3) & + k(r191f) * c(sH) & + k(r192) * c(sHO2) & + k(r204b) * c(sH2) & ) C4H2_denom1 = tiny(1.0_pr) + (0.0_pr & + k(r99b) * c(sH) & + k(r212) * c(sOH) & ) ! ! Primary constant parts ----------------------- C4H4_ct1 = (0.0_pr & + k(r214) * cqss(sIXC4H5 - nspec) * c(sH) & + k(r220) * cqss(sIXC4H5 - nspec) & + k(r222) * cqss(sIXC4H5 - nspec) * c(sOH)) C2H_ct1 = (0.0_pr & + k(r85b) * c(sC2H2) * c(sH) & + k(r95f) * c(sC2H2) * c(sO) & + k(r96f) * c(sC2H2) * c(sOH)) H2CC_ct1 = (0.0_pr & + k(r101f) * c(sC2H2) & + k(r102b) * c(sH) * c(sC2H2) & + k(r129) * c(sC2H4)) C2H3_ct1 = (0.0_pr & + k(r111b) * c(sH) * c(sC2H2) & + k(r116b) * c(sHO2) * c(sC2H2) & + k(r117b) * c(sC3H6) & + k(r126f) * c(sC2H4) * c(sO) & + k(r127f) * c(sC2H4) * c(sH) & + k(r128f) * c(sC2H4) * c(sOH) & + k(r133f) * c(sC2H4) * c(sCH3) & + k(r218) * cqss(sIXC4H5 - nspec) & + k(r219) * 2.0 * c(sH) * cqss(sIXC4H5 - nspec) & + k(r223) * cqss(sIXC4H5 - nspec) * c(sHO2) & + k(r229f) * c(sC4H6) * c(sH) & + k(r236) * cqss(sC4H7 - nspec)) C3H3_ct1 = (0.0_pr & + k(r224) * cqss(sIXC4H5 - nspec) * c(sH)) HCO_ct1 = (0.0_pr & + k(r65b) * c(sH2O) * c(sH) * c(sCO) & + k(r67b) * c(sH) * c(sCO) * M(mM8) & + k(r73) * c(sCH2O) * c(sOH) & + k(r74) * c(sCH2O) * c(sH) & + k(r75) * c(sCH2O) * c(sO2) & + k(r76) * c(sCH2O) * c(sHO2) & + k(r77) * c(sCH2O) * c(sO) & + k(r78) * c(sCH3) * c(sCH2O) & + k(r125) * c(sC2H4) * c(sO) & + k(r183) * cqss(sCH3CHCH - nspec) * c(sHO2) & + k(r184) * cqss(sCH3CHCH - nspec) * c(sOH) & + k(r186) * cqss(sCH3CHCH - nspec) * c(sO) & + k(r199) * c(sC3H6) * c(sO) & + k(r242) * c(sC4H81XC4H8) * c(sO) & + k(r263) * c(sC6H12) * c(sO)) CH_ct1 = (0.0_pr) C2O_ct1 = (0.0_pr) CH2DXCH2_ct1 = (0.0_pr & + k(r34b) * c(sH) * c(sCH3) & + k(r39) * c(sCH3) * c(sCH3) & + k(r47f) * c(sCH3) * c(sOH)) CH2_ct1 = (0.0_pr & + k(r30b) * c(sCH3) * c(sH) & + k(r43) * c(sCH3) * c(sCH3) & + k(r48f) * c(sCH3) * c(sOH) & + k(r58b) * c(sCH2CO) & + k(r98) * c(sC2H2) * c(sO) & + k(r120) * c(sC2H4) * c(sO) & + k(r157) * c(sCH2CO) * c(sO)) HCCO_ct1 = (0.0_pr & + k(r94f) * c(sC2H2) * c(sO) & + k(r156f) * c(sCH2CO) * c(sH) & + k(r158f) * c(sCH2CO) * c(sOH) & + k(r161f) * c(sCH2CO) * c(sO)) PXC3H4_ct1 = (0.0_pr & + k(r89f) * c(sC2H2) * c(sCH3) & + k(r185) * cqss(sCH3CHCH - nspec) * c(sH) & + k(r187) * cqss(sCH3CHCH - nspec)) CH2CHO_ct1 = (0.0_pr & + k(r160f) * c(sCH2CO) * c(sH) & + k(r168b) * c(sHO2) * c(sCH2CO) & + k(r221) * cqss(sIXC4H5 - nspec) * c(sO2)) H2C4O_ct1 = (0.0_pr) AXC3H5_ct1 = (0.0_pr & + k(r189b) * c(sO2) * c(sC3H6) & + k(r190b) * c(sC4H81XC4H8) & + k(r191b) * c(sC3H6) & + k(r195) * c(sC3H6) * c(sO) & + k(r200) * c(sC3H6) * c(sOH) & + k(r201) * c(sC3H6) * c(sHO2) & + k(r202) * c(sC3H6) * c(sCH3) & + k(r204f) * c(sC3H6) * c(sH) & + k(r217) * c(sC3H6) * cqss(sIXC4H5 - nspec) & + k(r233) * cqss(sC4H7 - nspec) * c(sH) & + k(r235) * cqss(sC4H7 - nspec) * c(sHO2) & + k(r250) * c(sC5H10) & + k(r265) * c(sC6H12)) C4H2_ct1 = (0.0_pr & + k(r254) * cqss(sOXXC6H4 - nspec)) ! ! C4H4 --------------------------------------- C4H4_denom2 = tiny(1.0_pr) + (C4H4_denom1) C4H4_ct2 = (C4H4_ct1 & ) / C4H4_denom2 C4H4_C2H = (0.0_pr & + k(r134) * c(sC2H4) & ) / C4H4_denom2 C4H4_H2CC = (0.0_pr & + k(r100f) * c(sC2H2) & ) / C4H4_denom2 C4H4_C2H3 = (0.0_pr & + k(r112f) * c(sC2H2) & ) / C4H4_denom2 C4H4_C3H3 = (0.0_pr & ) / C4H4_denom2 C4H4_HCO = (0.0_pr & ) / C4H4_denom2 C4H4_CH = (0.0_pr & ) / C4H4_denom2 C4H4_C2O = (0.0_pr & ) / C4H4_denom2 C4H4_CH2DXCH2 = (0.0_pr & ) / C4H4_denom2 C4H4_CH2 = (0.0_pr & ) / C4H4_denom2 C4H4_HCCO = (0.0_pr & ) / C4H4_denom2 C4H4_PXC3H4 = (0.0_pr & ) / C4H4_denom2 C4H4_CH2CHO = (0.0_pr & ) / C4H4_denom2 C4H4_H2C4O = (0.0_pr & ) / C4H4_denom2 C4H4_AXC3H5 = (0.0_pr & ) / C4H4_denom2 C4H4_C4H2 = (0.0_pr & ) / C4H4_denom2 C4H4_C2H_coeff = (0.0_pr & ) C4H4_H2CC_coeff = (0.0_pr & + k(r100b) & ) C4H4_C2H3_coeff = (0.0_pr & + k(r112b) * c(sH) & ) C4H4_C3H3_coeff = (0.0_pr & + k(r213) * c(sO) & ) C4H4_HCO_coeff = (0.0_pr & + k(r213) * c(sO) & ) C4H4_CH_coeff = (0.0_pr & ) C4H4_C2O_coeff = (0.0_pr & ) C4H4_CH2DXCH2_coeff = (0.0_pr & ) C4H4_CH2_coeff = (0.0_pr & ) C4H4_HCCO_coeff = (0.0_pr & ) C4H4_PXC3H4_coeff = (0.0_pr & ) C4H4_CH2CHO_coeff = (0.0_pr & ) C4H4_H2C4O_coeff = (0.0_pr & ) C4H4_AXC3H5_coeff = (0.0_pr & ) C4H4_C4H2_coeff = (0.0_pr & ) ! ! C2H --------------------------------------- C2H_denom2 = tiny(1.0_pr) + (C2H_denom1 & - C4H4_C2H_coeff * C4H4_C2H) C2H_ct2 = (C2H_ct1 & + C4H4_C2H_coeff * C4H4_ct2 & ) / C2H_denom2 C2H_H2CC = (0.0_pr & + C4H4_C2H_coeff * C4H4_H2CC& ) / C2H_denom2 C2H_C2H3 = (0.0_pr & + C4H4_C2H_coeff * C4H4_C2H3& ) / C2H_denom2 C2H_C3H3 = (0.0_pr & + k(r175) * c(sO) & + C4H4_C2H_coeff * C4H4_C3H3& ) / C2H_denom2 C2H_HCO = (0.0_pr & + C4H4_C2H_coeff * C4H4_HCO& ) / C2H_denom2 C2H_CH = (0.0_pr & + C4H4_C2H_coeff * C4H4_CH& ) / C2H_denom2 C2H_C2O = (0.0_pr & + C4H4_C2H_coeff * C4H4_C2O& ) / C2H_denom2 C2H_CH2DXCH2 = (0.0_pr & + C4H4_C2H_coeff * C4H4_CH2DXCH2& ) / C2H_denom2 C2H_CH2 = (0.0_pr & + C4H4_C2H_coeff * C4H4_CH2& ) / C2H_denom2 C2H_HCCO = (0.0_pr & + C4H4_C2H_coeff * C4H4_HCCO& ) / C2H_denom2 C2H_PXC3H4 = (0.0_pr & + C4H4_C2H_coeff * C4H4_PXC3H4& ) / C2H_denom2 C2H_CH2CHO = (0.0_pr & + C4H4_C2H_coeff * C4H4_CH2CHO& ) / C2H_denom2 C2H_H2C4O = (0.0_pr & + C4H4_C2H_coeff * C4H4_H2C4O& ) / C2H_denom2 C2H_AXC3H5 = (0.0_pr & + C4H4_C2H_coeff * C4H4_AXC3H5& ) / C2H_denom2 C2H_C4H2 = (0.0_pr & + k(r99b) * c(sH) & + C4H4_C2H_coeff * C4H4_C4H2& ) / C2H_denom2 C2H_H2CC_coeff = (0.0_pr & + C4H4_H2CC_coeff * C4H4_C2H & ) C2H_C2H3_coeff = (0.0_pr & + C4H4_C2H3_coeff * C4H4_C2H & ) C2H_C3H3_coeff = (0.0_pr & + C4H4_C3H3_coeff * C4H4_C2H & ) C2H_HCO_coeff = (0.0_pr & + k(r86) * c(sO2) & + C4H4_HCO_coeff * C4H4_C2H & ) C2H_CH_coeff = (0.0_pr & + k(r88) * c(sO) & + C4H4_CH_coeff * C4H4_C2H & ) C2H_C2O_coeff = (0.0_pr & + C4H4_C2O_coeff * C4H4_C2H & ) C2H_CH2DXCH2_coeff = (0.0_pr & + C4H4_CH2DXCH2_coeff * C4H4_C2H & ) C2H_CH2_coeff = (0.0_pr & + C4H4_CH2_coeff * C4H4_C2H & ) C2H_HCCO_coeff = (0.0_pr & + k(r87) * c(sOH) & + C4H4_HCCO_coeff * C4H4_C2H & ) C2H_PXC3H4_coeff = (0.0_pr & + C4H4_PXC3H4_coeff * C4H4_C2H & ) C2H_CH2CHO_coeff = (0.0_pr & + C4H4_CH2CHO_coeff * C4H4_C2H & ) C2H_H2C4O_coeff = (0.0_pr & + C4H4_H2C4O_coeff * C4H4_C2H & ) C2H_AXC3H5_coeff = (0.0_pr & + C4H4_AXC3H5_coeff * C4H4_C2H & ) C2H_C4H2_coeff = (0.0_pr & + k(r99f) * c(sC2H2) & + C4H4_C4H2_coeff * C4H4_C2H & ) ! ! H2CC --------------------------------------- H2CC_denom2 = tiny(1.0_pr) + (H2CC_denom1 & - C4H4_H2CC_coeff * C4H4_H2CC & - C2H_H2CC_coeff * C2H_H2CC) H2CC_ct2 = (H2CC_ct1 & + C4H4_H2CC_coeff * C4H4_ct2 & + C2H_H2CC_coeff * C2H_ct2 & ) / H2CC_denom2 H2CC_C2H3 = (0.0_pr & + k(r114) * c(sH) & + C4H4_H2CC_coeff * C4H4_C2H3& + C2H_H2CC_coeff * C2H_C2H3& ) / H2CC_denom2 H2CC_C3H3 = (0.0_pr & + C4H4_H2CC_coeff * C4H4_C3H3& + C2H_H2CC_coeff * C2H_C3H3& ) / H2CC_denom2 H2CC_HCO = (0.0_pr & + C4H4_H2CC_coeff * C4H4_HCO& + C2H_H2CC_coeff * C2H_HCO& ) / H2CC_denom2 H2CC_CH = (0.0_pr & + C4H4_H2CC_coeff * C4H4_CH& + C2H_H2CC_coeff * C2H_CH& ) / H2CC_denom2 H2CC_C2O = (0.0_pr & + C4H4_H2CC_coeff * C4H4_C2O& + C2H_H2CC_coeff * C2H_C2O& ) / H2CC_denom2 H2CC_CH2DXCH2 = (0.0_pr & + k(r130) * c(sC2H4) & + C4H4_H2CC_coeff * C4H4_CH2DXCH2& + C2H_H2CC_coeff * C2H_CH2DXCH2& ) / H2CC_denom2 H2CC_CH2 = (0.0_pr & + C4H4_H2CC_coeff * C4H4_CH2& + C2H_H2CC_coeff * C2H_CH2& ) / H2CC_denom2 H2CC_HCCO = (0.0_pr & + C4H4_H2CC_coeff * C4H4_HCCO& + C2H_H2CC_coeff * C2H_HCCO& ) / H2CC_denom2 H2CC_PXC3H4 = (0.0_pr & + C4H4_H2CC_coeff * C4H4_PXC3H4& + C2H_H2CC_coeff * C2H_PXC3H4& ) / H2CC_denom2 H2CC_CH2CHO = (0.0_pr & + C4H4_H2CC_coeff * C4H4_CH2CHO& + C2H_H2CC_coeff * C2H_CH2CHO& ) / H2CC_denom2 H2CC_H2C4O = (0.0_pr & + C4H4_H2CC_coeff * C4H4_H2C4O& + C2H_H2CC_coeff * C2H_H2C4O& ) / H2CC_denom2 H2CC_AXC3H5 = (0.0_pr & + C4H4_H2CC_coeff * C4H4_AXC3H5& + C2H_H2CC_coeff * C2H_AXC3H5& ) / H2CC_denom2 H2CC_C4H2 = (0.0_pr & + C4H4_H2CC_coeff * C4H4_C4H2& + C2H_H2CC_coeff * C2H_C4H2& ) / H2CC_denom2 H2CC_C2H3_coeff = (0.0_pr & + C4H4_C2H3_coeff * C4H4_H2CC & + C2H_C2H3_coeff * C2H_H2CC & ) H2CC_C3H3_coeff = (0.0_pr & + C4H4_C3H3_coeff * C4H4_H2CC & + C2H_C3H3_coeff * C2H_H2CC & ) H2CC_HCO_coeff = (0.0_pr & + k(r104) * 2.0 * c(sO2) & + C4H4_HCO_coeff * C4H4_H2CC & + C2H_HCO_coeff * C2H_H2CC & ) H2CC_CH_coeff = (0.0_pr & + C4H4_CH_coeff * C4H4_H2CC & + C2H_CH_coeff * C2H_H2CC & ) H2CC_C2O_coeff = (0.0_pr & + C4H4_C2O_coeff * C4H4_H2CC & + C2H_C2O_coeff * C2H_H2CC & ) H2CC_CH2DXCH2_coeff = (0.0_pr & + C4H4_CH2DXCH2_coeff * C4H4_H2CC & + C2H_CH2DXCH2_coeff * C2H_H2CC & ) H2CC_CH2_coeff = (0.0_pr & + C4H4_CH2_coeff * C4H4_H2CC & + C2H_CH2_coeff * C2H_H2CC & ) H2CC_HCCO_coeff = (0.0_pr & + C4H4_HCCO_coeff * C4H4_H2CC & + C2H_HCCO_coeff * C2H_H2CC & ) H2CC_PXC3H4_coeff = (0.0_pr & + C4H4_PXC3H4_coeff * C4H4_H2CC & + C2H_PXC3H4_coeff * C2H_H2CC & ) H2CC_CH2CHO_coeff = (0.0_pr & + C4H4_CH2CHO_coeff * C4H4_H2CC & + C2H_CH2CHO_coeff * C2H_H2CC & ) H2CC_H2C4O_coeff = (0.0_pr & + C4H4_H2C4O_coeff * C4H4_H2CC & + C2H_H2C4O_coeff * C2H_H2CC & ) H2CC_AXC3H5_coeff = (0.0_pr & + C4H4_AXC3H5_coeff * C4H4_H2CC & + C2H_AXC3H5_coeff * C2H_H2CC & ) H2CC_C4H2_coeff = (0.0_pr & + C4H4_C4H2_coeff * C4H4_H2CC & + C2H_C4H2_coeff * C2H_H2CC & ) ! ! C2H3 --------------------------------------- C2H3_denom2 = tiny(1.0_pr) + (C2H3_denom1 & - C4H4_C2H3_coeff * C4H4_C2H3 & - C2H_C2H3_coeff * C2H_C2H3 & - H2CC_C2H3_coeff * H2CC_C2H3) C2H3_ct2 = (C2H3_ct1 & + C4H4_C2H3_coeff * C4H4_ct2 & + C2H_C2H3_coeff * C2H_ct2 & + H2CC_C2H3_coeff * H2CC_ct2 & ) / C2H3_denom2 C2H3_C3H3 = (0.0_pr & + k(r172) * c(sHO2) & + C4H4_C2H3_coeff * C4H4_C3H3& + C2H_C2H3_coeff * C2H_C3H3& + H2CC_C2H3_coeff * H2CC_C3H3& ) / C2H3_denom2 C2H3_HCO = (0.0_pr & + k(r93) * c(sC2H2) & + C4H4_C2H3_coeff * C4H4_HCO& + C2H_C2H3_coeff * C2H_HCO& + H2CC_C2H3_coeff * H2CC_HCO& ) / C2H3_denom2 C2H3_CH = (0.0_pr & + k(r52) * c(sCH3) & + C4H4_C2H3_coeff * C4H4_CH& + C2H_C2H3_coeff * C2H_CH& + H2CC_C2H3_coeff * H2CC_CH& ) / C2H3_denom2 C2H3_C2O = (0.0_pr & + C4H4_C2H3_coeff * C4H4_C2O& + C2H_C2H3_coeff * C2H_C2O& + H2CC_C2H3_coeff * H2CC_C2O& ) / C2H3_denom2 C2H3_CH2DXCH2 = (0.0_pr & + C4H4_C2H3_coeff * C4H4_CH2DXCH2& + C2H_C2H3_coeff * C2H_CH2DXCH2& + H2CC_C2H3_coeff * H2CC_CH2DXCH2& ) / C2H3_denom2 C2H3_CH2 = (0.0_pr & + C4H4_C2H3_coeff * C4H4_CH2& + C2H_C2H3_coeff * C2H_CH2& + H2CC_C2H3_coeff * H2CC_CH2& ) / C2H3_denom2 C2H3_HCCO = (0.0_pr & + C4H4_C2H3_coeff * C4H4_HCCO& + C2H_C2H3_coeff * C2H_HCCO& + H2CC_C2H3_coeff * H2CC_HCCO& ) / C2H3_denom2 C2H3_PXC3H4 = (0.0_pr & + C4H4_C2H3_coeff * C4H4_PXC3H4& + C2H_C2H3_coeff * C2H_PXC3H4& + H2CC_C2H3_coeff * H2CC_PXC3H4& ) / C2H3_denom2 C2H3_CH2CHO = (0.0_pr & + C4H4_C2H3_coeff * C4H4_CH2CHO& + C2H_C2H3_coeff * C2H_CH2CHO& + H2CC_C2H3_coeff * H2CC_CH2CHO& ) / C2H3_denom2 C2H3_H2C4O = (0.0_pr & + C4H4_C2H3_coeff * C4H4_H2C4O& + C2H_C2H3_coeff * C2H_H2C4O& + H2CC_C2H3_coeff * H2CC_H2C4O& ) / C2H3_denom2 C2H3_AXC3H5 = (0.0_pr & + k(r108b) * c(sH) + k(r188) * c(sCH3) + k(r192) * c(sHO2) & + C4H4_C2H3_coeff * C4H4_AXC3H5& + C2H_C2H3_coeff * C2H_AXC3H5& + H2CC_C2H3_coeff * H2CC_AXC3H5& ) / C2H3_denom2 C2H3_C4H2 = (0.0_pr & + C4H4_C2H3_coeff * C4H4_C4H2& + C2H_C2H3_coeff * C2H_C4H2& + H2CC_C2H3_coeff * H2CC_C4H2& ) / C2H3_denom2 C2H3_C3H3_coeff = (0.0_pr & + C4H4_C3H3_coeff * C4H4_C2H3 & + C2H_C3H3_coeff * C2H_C2H3 & + H2CC_C3H3_coeff * H2CC_C2H3 & ) C2H3_HCO_coeff = (0.0_pr & + k(r109) * c(sO2) & + C4H4_HCO_coeff * C4H4_C2H3 & + C2H_HCO_coeff * C2H_C2H3 & + H2CC_HCO_coeff * H2CC_C2H3 & ) C2H3_CH_coeff = (0.0_pr & + C4H4_CH_coeff * C4H4_C2H3 & + C2H_CH_coeff * C2H_C2H3 & + H2CC_CH_coeff * H2CC_C2H3 & ) C2H3_C2O_coeff = (0.0_pr & + C4H4_C2O_coeff * C4H4_C2H3 & + C2H_C2O_coeff * C2H_C2H3 & + H2CC_C2O_coeff * H2CC_C2H3 & ) C2H3_CH2DXCH2_coeff = (0.0_pr & + C4H4_CH2DXCH2_coeff * C4H4_C2H3 & + C2H_CH2DXCH2_coeff * C2H_C2H3 & + H2CC_CH2DXCH2_coeff * H2CC_C2H3 & ) C2H3_CH2_coeff = (0.0_pr & + C4H4_CH2_coeff * C4H4_C2H3 & + C2H_CH2_coeff * C2H_C2H3 & + H2CC_CH2_coeff * H2CC_C2H3 & ) C2H3_HCCO_coeff = (0.0_pr & + C4H4_HCCO_coeff * C4H4_C2H3 & + C2H_HCCO_coeff * C2H_C2H3 & + H2CC_HCCO_coeff * H2CC_C2H3 & ) C2H3_PXC3H4_coeff = (0.0_pr & + C4H4_PXC3H4_coeff * C4H4_C2H3 & + C2H_PXC3H4_coeff * C2H_C2H3 & + H2CC_PXC3H4_coeff * H2CC_C2H3 & ) C2H3_CH2CHO_coeff = (0.0_pr & + k(r107) * c(sO2) + k(r115) * c(sHO2) & + C4H4_CH2CHO_coeff * C4H4_C2H3 & + C2H_CH2CHO_coeff * C2H_C2H3 & + H2CC_CH2CHO_coeff * H2CC_C2H3 & ) C2H3_H2C4O_coeff = (0.0_pr & + C4H4_H2C4O_coeff * C4H4_C2H3 & + C2H_H2C4O_coeff * C2H_C2H3 & + H2CC_H2C4O_coeff * H2CC_C2H3 & ) C2H3_AXC3H5_coeff = (0.0_pr & + k(r108f) * c(sCH3) & + C4H4_AXC3H5_coeff * C4H4_C2H3 & + C2H_AXC3H5_coeff * C2H_C2H3 & + H2CC_AXC3H5_coeff * H2CC_C2H3 & ) C2H3_C4H2_coeff = (0.0_pr & + C4H4_C4H2_coeff * C4H4_C2H3 & + C2H_C4H2_coeff * C2H_C2H3 & + H2CC_C4H2_coeff * H2CC_C2H3 & ) ! ! C3H3 --------------------------------------- C3H3_denom2 = tiny(1.0_pr) + (C3H3_denom1 & - C4H4_C3H3_coeff * C4H4_C3H3 & - C2H_C3H3_coeff * C2H_C3H3 & - H2CC_C3H3_coeff * H2CC_C3H3 & - C2H3_C3H3_coeff * C2H3_C3H3) C3H3_ct2 = (C3H3_ct1 & + C4H4_C3H3_coeff * C4H4_ct2 & + C2H_C3H3_coeff * C2H_ct2 & + H2CC_C3H3_coeff * H2CC_ct2 & + C2H3_C3H3_coeff * C2H3_ct2 & ) / C3H3_denom2 C3H3_HCO = (0.0_pr & + C4H4_C3H3_coeff * C4H4_HCO& + C2H_C3H3_coeff * C2H_HCO& + H2CC_C3H3_coeff * H2CC_HCO& + C2H3_C3H3_coeff * C2H3_HCO& ) / C3H3_denom2 C3H3_CH = (0.0_pr & + C4H4_C3H3_coeff * C4H4_CH& + C2H_C3H3_coeff * C2H_CH& + H2CC_C3H3_coeff * H2CC_CH& + C2H3_C3H3_coeff * C2H3_CH& ) / C3H3_denom2 C3H3_C2O = (0.0_pr & + C4H4_C3H3_coeff * C4H4_C2O& + C2H_C3H3_coeff * C2H_C2O& + H2CC_C3H3_coeff * H2CC_C2O& + C2H3_C3H3_coeff * C2H3_C2O& ) / C3H3_denom2 C3H3_CH2DXCH2 = (0.0_pr & + k(r91) * c(sC2H2) & + C4H4_C3H3_coeff * C4H4_CH2DXCH2& + C2H_C3H3_coeff * C2H_CH2DXCH2& + H2CC_C3H3_coeff * H2CC_CH2DXCH2& + C2H3_C3H3_coeff * C2H3_CH2DXCH2& ) / C3H3_denom2 C3H3_CH2 = (0.0_pr & + k(r97) * c(sC2H2) & + C4H4_C3H3_coeff * C4H4_CH2& + C2H_C3H3_coeff * C2H_CH2& + H2CC_C3H3_coeff * H2CC_CH2& + C2H3_C3H3_coeff * C2H3_CH2& ) / C3H3_denom2 C3H3_HCCO = (0.0_pr & + C4H4_C3H3_coeff * C4H4_HCCO& + C2H_C3H3_coeff * C2H_HCCO& + H2CC_C3H3_coeff * H2CC_HCCO& + C2H3_C3H3_coeff * C2H3_HCCO& ) / C3H3_denom2 C3H3_PXC3H4 = (0.0_pr & + k(r169b) + k(r177) * c(sOH) + k(r179) * c(sH) + k(r180) * c(sCH3) & + C4H4_C3H3_coeff * C4H4_PXC3H4& + C2H_C3H3_coeff * C2H_PXC3H4& + H2CC_C3H3_coeff * H2CC_PXC3H4& + C2H3_C3H3_coeff * C2H3_PXC3H4& ) / C3H3_denom2 C3H3_CH2CHO = (0.0_pr & + C4H4_C3H3_coeff * C4H4_CH2CHO& + C2H_C3H3_coeff * C2H_CH2CHO& + H2CC_C3H3_coeff * H2CC_CH2CHO& + C2H3_C3H3_coeff * C2H3_CH2CHO& ) / C3H3_denom2 C3H3_H2C4O = (0.0_pr & + C4H4_C3H3_coeff * C4H4_H2C4O& + C2H_C3H3_coeff * C2H_H2C4O& + H2CC_C3H3_coeff * H2CC_H2C4O& + C2H3_C3H3_coeff * C2H3_H2C4O& ) / C3H3_denom2 C3H3_AXC3H5 = (0.0_pr & + C4H4_C3H3_coeff * C4H4_AXC3H5& + C2H_C3H3_coeff * C2H_AXC3H5& + H2CC_C3H3_coeff * H2CC_AXC3H5& + C2H3_C3H3_coeff * C2H3_AXC3H5& ) / C3H3_denom2 C3H3_C4H2 = (0.0_pr & + C4H4_C3H3_coeff * C4H4_C4H2& + C2H_C3H3_coeff * C2H_C4H2& + H2CC_C3H3_coeff * H2CC_C4H2& + C2H3_C3H3_coeff * C2H3_C4H2& ) / C3H3_denom2 C3H3_HCO_coeff = (0.0_pr & + k(r173) * c(sO2) & + C4H4_HCO_coeff * C4H4_C3H3 & + C2H_HCO_coeff * C2H_C3H3 & + H2CC_HCO_coeff * H2CC_C3H3 & + C2H3_HCO_coeff * C2H3_C3H3 & ) C3H3_CH_coeff = (0.0_pr & + C4H4_CH_coeff * C4H4_C3H3 & + C2H_CH_coeff * C2H_C3H3 & + H2CC_CH_coeff * H2CC_C3H3 & + C2H3_CH_coeff * C2H3_C3H3 & ) C3H3_C2O_coeff = (0.0_pr & + C4H4_C2O_coeff * C4H4_C3H3 & + C2H_C2O_coeff * C2H_C3H3 & + H2CC_C2O_coeff * H2CC_C3H3 & + C2H3_C2O_coeff * C2H3_C3H3 & ) C3H3_CH2DXCH2_coeff = (0.0_pr & + C4H4_CH2DXCH2_coeff * C4H4_C3H3 & + C2H_CH2DXCH2_coeff * C2H_C3H3 & + H2CC_CH2DXCH2_coeff * H2CC_C3H3 & + C2H3_CH2DXCH2_coeff * C2H3_C3H3 & ) C3H3_CH2_coeff = (0.0_pr & + C4H4_CH2_coeff * C4H4_C3H3 & + C2H_CH2_coeff * C2H_C3H3 & + H2CC_CH2_coeff * H2CC_C3H3 & + C2H3_CH2_coeff * C2H3_C3H3 & ) C3H3_HCCO_coeff = (0.0_pr & + C4H4_HCCO_coeff * C4H4_C3H3 & + C2H_HCCO_coeff * C2H_C3H3 & + H2CC_HCCO_coeff * H2CC_C3H3 & + C2H3_HCCO_coeff * C2H3_C3H3 & ) C3H3_PXC3H4_coeff = (0.0_pr & + k(r169f) * c(sH) + k(r174) * c(sHO2) & + C4H4_PXC3H4_coeff * C4H4_C3H3 & + C2H_PXC3H4_coeff * C2H_C3H3 & + H2CC_PXC3H4_coeff * H2CC_C3H3 & + C2H3_PXC3H4_coeff * C2H3_C3H3 & ) C3H3_CH2CHO_coeff = (0.0_pr & + C4H4_CH2CHO_coeff * C4H4_C3H3 & + C2H_CH2CHO_coeff * C2H_C3H3 & + H2CC_CH2CHO_coeff * H2CC_C3H3 & + C2H3_CH2CHO_coeff * C2H3_C3H3 & ) C3H3_H2C4O_coeff = (0.0_pr & + C4H4_H2C4O_coeff * C4H4_C3H3 & + C2H_H2C4O_coeff * C2H_C3H3 & + H2CC_H2C4O_coeff * H2CC_C3H3 & + C2H3_H2C4O_coeff * C2H3_C3H3 & ) C3H3_AXC3H5_coeff = (0.0_pr & + C4H4_AXC3H5_coeff * C4H4_C3H3 & + C2H_AXC3H5_coeff * C2H_C3H3 & + H2CC_AXC3H5_coeff * H2CC_C3H3 & + C2H3_AXC3H5_coeff * C2H3_C3H3 & ) C3H3_C4H2_coeff = (0.0_pr & + C4H4_C4H2_coeff * C4H4_C3H3 & + C2H_C4H2_coeff * C2H_C3H3 & + H2CC_C4H2_coeff * H2CC_C3H3 & + C2H3_C4H2_coeff * C2H3_C3H3 & ) ! ! HCO --------------------------------------- HCO_denom2 = tiny(1.0_pr) + (HCO_denom1 & - C4H4_HCO_coeff * C4H4_HCO & - C2H_HCO_coeff * C2H_HCO & - H2CC_HCO_coeff * H2CC_HCO & - C2H3_HCO_coeff * C2H3_HCO & - C3H3_HCO_coeff * C3H3_HCO) HCO_ct2 = (HCO_ct1 & + C4H4_HCO_coeff * C4H4_ct2 & + C2H_HCO_coeff * C2H_ct2 & + H2CC_HCO_coeff * H2CC_ct2 & + C2H3_HCO_coeff * C2H3_ct2 & + C3H3_HCO_coeff * C3H3_ct2 & ) / HCO_denom2 HCO_CH = (0.0_pr & + k(r25) * c(sO2) + k(r26) * c(sOH) + k(r83) * c(sCO2) & + C4H4_HCO_coeff * C4H4_CH& + C2H_HCO_coeff * C2H_CH& + H2CC_HCO_coeff * H2CC_CH& + C2H3_HCO_coeff * C2H3_CH& + C3H3_HCO_coeff * C3H3_CH& ) / HCO_denom2 HCO_C2O = (0.0_pr & + C4H4_HCO_coeff * C4H4_C2O& + C2H_HCO_coeff * C2H_C2O& + H2CC_HCO_coeff * H2CC_C2O& + C2H3_HCO_coeff * C2H3_C2O& + C3H3_HCO_coeff * C3H3_C2O& ) / HCO_denom2 HCO_CH2DXCH2 = (0.0_pr & + C4H4_HCO_coeff * C4H4_CH2DXCH2& + C2H_HCO_coeff * C2H_CH2DXCH2& + H2CC_HCO_coeff * H2CC_CH2DXCH2& + C2H3_HCO_coeff * C2H3_CH2DXCH2& + C3H3_HCO_coeff * C3H3_CH2DXCH2& ) / HCO_denom2 HCO_CH2 = (0.0_pr & + k(r27) * c(sO2) + k(r28) * c(sO) & + C4H4_HCO_coeff * C4H4_CH2& + C2H_HCO_coeff * C2H_CH2& + H2CC_HCO_coeff * H2CC_CH2& + C2H3_HCO_coeff * C2H3_CH2& + C3H3_HCO_coeff * C3H3_CH2& ) / HCO_denom2 HCO_HCCO = (0.0_pr & + C4H4_HCO_coeff * C4H4_HCCO& + C2H_HCO_coeff * C2H_HCCO& + H2CC_HCO_coeff * H2CC_HCCO& + C2H3_HCO_coeff * C2H3_HCCO& + C3H3_HCO_coeff * C3H3_HCCO& ) / HCO_denom2 HCO_PXC3H4 = (0.0_pr & + C4H4_HCO_coeff * C4H4_PXC3H4& + C2H_HCO_coeff * C2H_PXC3H4& + H2CC_HCO_coeff * H2CC_PXC3H4& + C2H3_HCO_coeff * C2H3_PXC3H4& + C3H3_HCO_coeff * C3H3_PXC3H4& ) / HCO_denom2 HCO_CH2CHO = (0.0_pr & + k(r166) * c(sH) & + C4H4_HCO_coeff * C4H4_CH2CHO& + C2H_HCO_coeff * C2H_CH2CHO& + H2CC_HCO_coeff * H2CC_CH2CHO& + C2H3_HCO_coeff * C2H3_CH2CHO& + C3H3_HCO_coeff * C3H3_CH2CHO& ) / HCO_denom2 HCO_H2C4O = (0.0_pr & + C4H4_HCO_coeff * C4H4_H2C4O& + C2H_HCO_coeff * C2H_H2C4O& + H2CC_HCO_coeff * H2CC_H2C4O& + C2H3_HCO_coeff * C2H3_H2C4O& + C3H3_HCO_coeff * C3H3_H2C4O& ) / HCO_denom2 HCO_AXC3H5 = (0.0_pr & + C4H4_HCO_coeff * C4H4_AXC3H5& + C2H_HCO_coeff * C2H_AXC3H5& + H2CC_HCO_coeff * H2CC_AXC3H5& + C2H3_HCO_coeff * C2H3_AXC3H5& + C3H3_HCO_coeff * C3H3_AXC3H5& ) / HCO_denom2 HCO_C4H2 = (0.0_pr & + C4H4_HCO_coeff * C4H4_C4H2& + C2H_HCO_coeff * C2H_C4H2& + H2CC_HCO_coeff * H2CC_C4H2& + C2H3_HCO_coeff * C2H3_C4H2& + C3H3_HCO_coeff * C3H3_C4H2& ) / HCO_denom2 HCO_CH_coeff = (0.0_pr & + C4H4_CH_coeff * C4H4_HCO & + C2H_CH_coeff * C2H_HCO & + H2CC_CH_coeff * H2CC_HCO & + C2H3_CH_coeff * C2H3_HCO & + C3H3_CH_coeff * C3H3_HCO & ) HCO_C2O_coeff = (0.0_pr & + C4H4_C2O_coeff * C4H4_HCO & + C2H_C2O_coeff * C2H_HCO & + H2CC_C2O_coeff * H2CC_HCO & + C2H3_C2O_coeff * C2H3_HCO & + C3H3_C2O_coeff * C3H3_HCO & ) HCO_CH2DXCH2_coeff = (0.0_pr & + C4H4_CH2DXCH2_coeff * C4H4_HCO & + C2H_CH2DXCH2_coeff * C2H_HCO & + H2CC_CH2DXCH2_coeff * H2CC_HCO & + C2H3_CH2DXCH2_coeff * C2H3_HCO & + C3H3_CH2DXCH2_coeff * C3H3_HCO & ) HCO_CH2_coeff = (0.0_pr & + C4H4_CH2_coeff * C4H4_HCO & + C2H_CH2_coeff * C2H_HCO & + H2CC_CH2_coeff * H2CC_HCO & + C2H3_CH2_coeff * C2H3_HCO & + C3H3_CH2_coeff * C3H3_HCO & ) HCO_HCCO_coeff = (0.0_pr & + C4H4_HCCO_coeff * C4H4_HCO & + C2H_HCCO_coeff * C2H_HCO & + H2CC_HCCO_coeff * H2CC_HCO & + C2H3_HCCO_coeff * C2H3_HCO & + C3H3_HCCO_coeff * C3H3_HCO & ) HCO_PXC3H4_coeff = (0.0_pr & + C4H4_PXC3H4_coeff * C4H4_HCO & + C2H_PXC3H4_coeff * C2H_HCO & + H2CC_PXC3H4_coeff * H2CC_HCO & + C2H3_PXC3H4_coeff * C2H3_HCO & + C3H3_PXC3H4_coeff * C3H3_HCO & ) HCO_CH2CHO_coeff = (0.0_pr & + C4H4_CH2CHO_coeff * C4H4_HCO & + C2H_CH2CHO_coeff * C2H_HCO & + H2CC_CH2CHO_coeff * H2CC_HCO & + C2H3_CH2CHO_coeff * C2H3_HCO & + C3H3_CH2CHO_coeff * C3H3_HCO & ) HCO_H2C4O_coeff = (0.0_pr & + C4H4_H2C4O_coeff * C4H4_HCO & + C2H_H2C4O_coeff * C2H_HCO & + H2CC_H2C4O_coeff * H2CC_HCO & + C2H3_H2C4O_coeff * C2H3_HCO & + C3H3_H2C4O_coeff * C3H3_HCO & ) HCO_AXC3H5_coeff = (0.0_pr & + C4H4_AXC3H5_coeff * C4H4_HCO & + C2H_AXC3H5_coeff * C2H_HCO & + H2CC_AXC3H5_coeff * H2CC_HCO & + C2H3_AXC3H5_coeff * C2H3_HCO & + C3H3_AXC3H5_coeff * C3H3_HCO & ) HCO_C4H2_coeff = (0.0_pr & + C4H4_C4H2_coeff * C4H4_HCO & + C2H_C4H2_coeff * C2H_HCO & + H2CC_C4H2_coeff * H2CC_HCO & + C2H3_C4H2_coeff * C2H3_HCO & + C3H3_C4H2_coeff * C3H3_HCO & ) ! ! CH --------------------------------------- CH_denom2 = tiny(1.0_pr) + (CH_denom1 & - C4H4_CH_coeff * C4H4_CH & - C2H_CH_coeff * C2H_CH & - H2CC_CH_coeff * H2CC_CH & - C2H3_CH_coeff * C2H3_CH & - C3H3_CH_coeff * C3H3_CH & - HCO_CH_coeff * HCO_CH) CH_ct2 = (CH_ct1 & + C4H4_CH_coeff * C4H4_ct2 & + C2H_CH_coeff * C2H_ct2 & + H2CC_CH_coeff * H2CC_ct2 & + C2H3_CH_coeff * C2H3_ct2 & + C3H3_CH_coeff * C3H3_ct2 & + HCO_CH_coeff * HCO_ct2 & ) / CH_denom2 CH_C2O = (0.0_pr & + k(r147f) * c(sH) & + C4H4_CH_coeff * C4H4_C2O& + C2H_CH_coeff * C2H_C2O& + H2CC_CH_coeff * H2CC_C2O& + C2H3_CH_coeff * C2H3_C2O& + C3H3_CH_coeff * C3H3_C2O& + HCO_CH_coeff * HCO_C2O& ) / CH_denom2 CH_CH2DXCH2 = (0.0_pr & + k(r38) * c(sH) & + C4H4_CH_coeff * C4H4_CH2DXCH2& + C2H_CH_coeff * C2H_CH2DXCH2& + H2CC_CH_coeff * H2CC_CH2DXCH2& + C2H3_CH_coeff * C2H3_CH2DXCH2& + C3H3_CH_coeff * C3H3_CH2DXCH2& + HCO_CH_coeff * HCO_CH2DXCH2& ) / CH_denom2 CH_CH2 = (0.0_pr & + k(r24b) * c(sH) + k(r32f) * c(sOH) & + C4H4_CH_coeff * C4H4_CH2& + C2H_CH_coeff * C2H_CH2& + H2CC_CH_coeff * H2CC_CH2& + C2H3_CH_coeff * C2H3_CH2& + C3H3_CH_coeff * C3H3_CH2& + HCO_CH_coeff * HCO_CH2& ) / CH_denom2 CH_HCCO = (0.0_pr & + k(r59b) & + C4H4_CH_coeff * C4H4_HCCO& + C2H_CH_coeff * C2H_HCCO& + H2CC_CH_coeff * H2CC_HCCO& + C2H3_CH_coeff * C2H3_HCCO& + C3H3_CH_coeff * C3H3_HCCO& + HCO_CH_coeff * HCO_HCCO& ) / CH_denom2 CH_PXC3H4 = (0.0_pr & + C4H4_CH_coeff * C4H4_PXC3H4& + C2H_CH_coeff * C2H_PXC3H4& + H2CC_CH_coeff * H2CC_PXC3H4& + C2H3_CH_coeff * C2H3_PXC3H4& + C3H3_CH_coeff * C3H3_PXC3H4& + HCO_CH_coeff * HCO_PXC3H4& ) / CH_denom2 CH_CH2CHO = (0.0_pr & + C4H4_CH_coeff * C4H4_CH2CHO& + C2H_CH_coeff * C2H_CH2CHO& + H2CC_CH_coeff * H2CC_CH2CHO& + C2H3_CH_coeff * C2H3_CH2CHO& + C3H3_CH_coeff * C3H3_CH2CHO& + HCO_CH_coeff * HCO_CH2CHO& ) / CH_denom2 CH_H2C4O = (0.0_pr & + C4H4_CH_coeff * C4H4_H2C4O& + C2H_CH_coeff * C2H_H2C4O& + H2CC_CH_coeff * H2CC_H2C4O& + C2H3_CH_coeff * C2H3_H2C4O& + C3H3_CH_coeff * C3H3_H2C4O& + HCO_CH_coeff * HCO_H2C4O& ) / CH_denom2 CH_AXC3H5 = (0.0_pr & + C4H4_CH_coeff * C4H4_AXC3H5& + C2H_CH_coeff * C2H_AXC3H5& + H2CC_CH_coeff * H2CC_AXC3H5& + C2H3_CH_coeff * C2H3_AXC3H5& + C3H3_CH_coeff * C3H3_AXC3H5& + HCO_CH_coeff * HCO_AXC3H5& ) / CH_denom2 CH_C4H2 = (0.0_pr & + C4H4_CH_coeff * C4H4_C4H2& + C2H_CH_coeff * C2H_C4H2& + H2CC_CH_coeff * H2CC_C4H2& + C2H3_CH_coeff * C2H3_C4H2& + C3H3_CH_coeff * C3H3_C4H2& + HCO_CH_coeff * HCO_C4H2& ) / CH_denom2 CH_C2O_coeff = (0.0_pr & + k(r147b) * c(sCO) & + C4H4_C2O_coeff * C4H4_CH & + C2H_C2O_coeff * C2H_CH & + H2CC_C2O_coeff * H2CC_CH & + C2H3_C2O_coeff * C2H3_CH & + C3H3_C2O_coeff * C3H3_CH & + HCO_C2O_coeff * HCO_CH & ) CH_CH2DXCH2_coeff = (0.0_pr & + C4H4_CH2DXCH2_coeff * C4H4_CH & + C2H_CH2DXCH2_coeff * C2H_CH & + H2CC_CH2DXCH2_coeff * H2CC_CH & + C2H3_CH2DXCH2_coeff * C2H3_CH & + C3H3_CH2DXCH2_coeff * C3H3_CH & + HCO_CH2DXCH2_coeff * HCO_CH & ) CH_CH2_coeff = (0.0_pr & + k(r24f) * c(sH2) + k(r32b) * c(sH2O) & + C4H4_CH2_coeff * C4H4_CH & + C2H_CH2_coeff * C2H_CH & + H2CC_CH2_coeff * H2CC_CH & + C2H3_CH2_coeff * C2H3_CH & + C3H3_CH2_coeff * C3H3_CH & + HCO_CH2_coeff * HCO_CH & ) CH_HCCO_coeff = (0.0_pr & + k(r59f) * c(sCO) & + C4H4_HCCO_coeff * C4H4_CH & + C2H_HCCO_coeff * C2H_CH & + H2CC_HCCO_coeff * H2CC_CH & + C2H3_HCCO_coeff * C2H3_CH & + C3H3_HCCO_coeff * C3H3_CH & + HCO_HCCO_coeff * HCO_CH & ) CH_PXC3H4_coeff = (0.0_pr & + k(r123) * c(sC2H4) & + C4H4_PXC3H4_coeff * C4H4_CH & + C2H_PXC3H4_coeff * C2H_CH & + H2CC_PXC3H4_coeff * H2CC_CH & + C2H3_PXC3H4_coeff * C2H3_CH & + C3H3_PXC3H4_coeff * C3H3_CH & + HCO_PXC3H4_coeff * HCO_CH & ) CH_CH2CHO_coeff = (0.0_pr & + C4H4_CH2CHO_coeff * C4H4_CH & + C2H_CH2CHO_coeff * C2H_CH & + H2CC_CH2CHO_coeff * H2CC_CH & + C2H3_CH2CHO_coeff * C2H3_CH & + C3H3_CH2CHO_coeff * C3H3_CH & + HCO_CH2CHO_coeff * HCO_CH & ) CH_H2C4O_coeff = (0.0_pr & + C4H4_H2C4O_coeff * C4H4_CH & + C2H_H2C4O_coeff * C2H_CH & + H2CC_H2C4O_coeff * H2CC_CH & + C2H3_H2C4O_coeff * C2H3_CH & + C3H3_H2C4O_coeff * C3H3_CH & + HCO_H2C4O_coeff * HCO_CH & ) CH_AXC3H5_coeff = (0.0_pr & + C4H4_AXC3H5_coeff * C4H4_CH & + C2H_AXC3H5_coeff * C2H_CH & + H2CC_AXC3H5_coeff * H2CC_CH & + C2H3_AXC3H5_coeff * C2H3_CH & + C3H3_AXC3H5_coeff * C3H3_CH & + HCO_AXC3H5_coeff * HCO_CH & ) CH_C4H2_coeff = (0.0_pr & + C4H4_C4H2_coeff * C4H4_CH & + C2H_C4H2_coeff * C2H_CH & + H2CC_C4H2_coeff * H2CC_CH & + C2H3_C4H2_coeff * C2H3_CH & + C3H3_C4H2_coeff * C3H3_CH & + HCO_C4H2_coeff * HCO_CH & ) ! ! C2O --------------------------------------- C2O_denom2 = tiny(1.0_pr) + (C2O_denom1 & - C4H4_C2O_coeff * C4H4_C2O & - C2H_C2O_coeff * C2H_C2O & - H2CC_C2O_coeff * H2CC_C2O & - C2H3_C2O_coeff * C2H3_C2O & - C3H3_C2O_coeff * C3H3_C2O & - HCO_C2O_coeff * HCO_C2O & - CH_C2O_coeff * CH_C2O) C2O_ct2 = (C2O_ct1 & + C4H4_C2O_coeff * C4H4_ct2 & + C2H_C2O_coeff * C2H_ct2 & + H2CC_C2O_coeff * H2CC_ct2 & + C2H3_C2O_coeff * C2H3_ct2 & + C3H3_C2O_coeff * C3H3_ct2 & + HCO_C2O_coeff * HCO_ct2 & + CH_C2O_coeff * CH_ct2 & ) / C2O_denom2 C2O_CH2DXCH2 = (0.0_pr & + C4H4_C2O_coeff * C4H4_CH2DXCH2& + C2H_C2O_coeff * C2H_CH2DXCH2& + H2CC_C2O_coeff * H2CC_CH2DXCH2& + C2H3_C2O_coeff * C2H3_CH2DXCH2& + C3H3_C2O_coeff * C3H3_CH2DXCH2& + HCO_C2O_coeff * HCO_CH2DXCH2& + CH_C2O_coeff * CH_CH2DXCH2& ) / C2O_denom2 C2O_CH2 = (0.0_pr & + C4H4_C2O_coeff * C4H4_CH2& + C2H_C2O_coeff * C2H_CH2& + H2CC_C2O_coeff * H2CC_CH2& + C2H3_C2O_coeff * C2H3_CH2& + C3H3_C2O_coeff * C3H3_CH2& + HCO_C2O_coeff * HCO_CH2& + CH_C2O_coeff * CH_CH2& ) / C2O_denom2 C2O_HCCO = (0.0_pr & + k(r155f) * c(sOH) & + C4H4_C2O_coeff * C4H4_HCCO& + C2H_C2O_coeff * C2H_HCCO& + H2CC_C2O_coeff * H2CC_HCCO& + C2H3_C2O_coeff * C2H3_HCCO& + C3H3_C2O_coeff * C3H3_HCCO& + HCO_C2O_coeff * HCO_HCCO& + CH_C2O_coeff * CH_HCCO& ) / C2O_denom2 C2O_PXC3H4 = (0.0_pr & + C4H4_C2O_coeff * C4H4_PXC3H4& + C2H_C2O_coeff * C2H_PXC3H4& + H2CC_C2O_coeff * H2CC_PXC3H4& + C2H3_C2O_coeff * C2H3_PXC3H4& + C3H3_C2O_coeff * C3H3_PXC3H4& + HCO_C2O_coeff * HCO_PXC3H4& + CH_C2O_coeff * CH_PXC3H4& ) / C2O_denom2 C2O_CH2CHO = (0.0_pr & + C4H4_C2O_coeff * C4H4_CH2CHO& + C2H_C2O_coeff * C2H_CH2CHO& + H2CC_C2O_coeff * H2CC_CH2CHO& + C2H3_C2O_coeff * C2H3_CH2CHO& + C3H3_C2O_coeff * C3H3_CH2CHO& + HCO_C2O_coeff * HCO_CH2CHO& + CH_C2O_coeff * CH_CH2CHO& ) / C2O_denom2 C2O_H2C4O = (0.0_pr & + C4H4_C2O_coeff * C4H4_H2C4O& + C2H_C2O_coeff * C2H_H2C4O& + H2CC_C2O_coeff * H2CC_H2C4O& + C2H3_C2O_coeff * C2H3_H2C4O& + C3H3_C2O_coeff * C3H3_H2C4O& + HCO_C2O_coeff * HCO_H2C4O& + CH_C2O_coeff * CH_H2C4O& ) / C2O_denom2 C2O_AXC3H5 = (0.0_pr & + C4H4_C2O_coeff * C4H4_AXC3H5& + C2H_C2O_coeff * C2H_AXC3H5& + H2CC_C2O_coeff * H2CC_AXC3H5& + C2H3_C2O_coeff * C2H3_AXC3H5& + C3H3_C2O_coeff * C3H3_AXC3H5& + HCO_C2O_coeff * HCO_AXC3H5& + CH_C2O_coeff * CH_AXC3H5& ) / C2O_denom2 C2O_C4H2 = (0.0_pr & + C4H4_C2O_coeff * C4H4_C4H2& + C2H_C2O_coeff * C2H_C4H2& + H2CC_C2O_coeff * H2CC_C4H2& + C2H3_C2O_coeff * C2H3_C4H2& + C3H3_C2O_coeff * C3H3_C4H2& + HCO_C2O_coeff * HCO_C4H2& + CH_C2O_coeff * CH_C4H2& ) / C2O_denom2 C2O_CH2DXCH2_coeff = (0.0_pr & + C4H4_CH2DXCH2_coeff * C4H4_C2O & + C2H_CH2DXCH2_coeff * C2H_C2O & + H2CC_CH2DXCH2_coeff * H2CC_C2O & + C2H3_CH2DXCH2_coeff * C2H3_C2O & + C3H3_CH2DXCH2_coeff * C3H3_C2O & + HCO_CH2DXCH2_coeff * HCO_C2O & + CH_CH2DXCH2_coeff * CH_C2O & ) C2O_CH2_coeff = (0.0_pr & + C4H4_CH2_coeff * C4H4_C2O & + C2H_CH2_coeff * C2H_C2O & + H2CC_CH2_coeff * H2CC_C2O & + C2H3_CH2_coeff * C2H3_C2O & + C3H3_CH2_coeff * C3H3_C2O & + HCO_CH2_coeff * HCO_C2O & + CH_CH2_coeff * CH_C2O & ) C2O_HCCO_coeff = (0.0_pr & + k(r155b) * c(sH2O) & + C4H4_HCCO_coeff * C4H4_C2O & + C2H_HCCO_coeff * C2H_C2O & + H2CC_HCCO_coeff * H2CC_C2O & + C2H3_HCCO_coeff * C2H3_C2O & + C3H3_HCCO_coeff * C3H3_C2O & + HCO_HCCO_coeff * HCO_C2O & + CH_HCCO_coeff * CH_C2O & ) C2O_PXC3H4_coeff = (0.0_pr & + C4H4_PXC3H4_coeff * C4H4_C2O & + C2H_PXC3H4_coeff * C2H_C2O & + H2CC_PXC3H4_coeff * H2CC_C2O & + C2H3_PXC3H4_coeff * C2H3_C2O & + C3H3_PXC3H4_coeff * C3H3_C2O & + HCO_PXC3H4_coeff * HCO_C2O & + CH_PXC3H4_coeff * CH_C2O & ) C2O_CH2CHO_coeff = (0.0_pr & + C4H4_CH2CHO_coeff * C4H4_C2O & + C2H_CH2CHO_coeff * C2H_C2O & + H2CC_CH2CHO_coeff * H2CC_C2O & + C2H3_CH2CHO_coeff * C2H3_C2O & + C3H3_CH2CHO_coeff * C3H3_C2O & + HCO_CH2CHO_coeff * HCO_C2O & + CH_CH2CHO_coeff * CH_C2O & ) C2O_H2C4O_coeff = (0.0_pr & + C4H4_H2C4O_coeff * C4H4_C2O & + C2H_H2C4O_coeff * C2H_C2O & + H2CC_H2C4O_coeff * H2CC_C2O & + C2H3_H2C4O_coeff * C2H3_C2O & + C3H3_H2C4O_coeff * C3H3_C2O & + HCO_H2C4O_coeff * HCO_C2O & + CH_H2C4O_coeff * CH_C2O & ) C2O_AXC3H5_coeff = (0.0_pr & + C4H4_AXC3H5_coeff * C4H4_C2O & + C2H_AXC3H5_coeff * C2H_C2O & + H2CC_AXC3H5_coeff * H2CC_C2O & + C2H3_AXC3H5_coeff * C2H3_C2O & + C3H3_AXC3H5_coeff * C3H3_C2O & + HCO_AXC3H5_coeff * HCO_C2O & + CH_AXC3H5_coeff * CH_C2O & ) C2O_C4H2_coeff = (0.0_pr & + C4H4_C4H2_coeff * C4H4_C2O & + C2H_C4H2_coeff * C2H_C2O & + H2CC_C4H2_coeff * H2CC_C2O & + C2H3_C4H2_coeff * C2H3_C2O & + C3H3_C4H2_coeff * C3H3_C2O & + HCO_C4H2_coeff * HCO_C2O & + CH_C4H2_coeff * CH_C2O & ) ! ! CH2DXCH2 --------------------------------------- CH2DXCH2_denom2 = tiny(1.0_pr) + (CH2DXCH2_denom1 & - C4H4_CH2DXCH2_coeff * C4H4_CH2DXCH2 & - C2H_CH2DXCH2_coeff * C2H_CH2DXCH2 & - H2CC_CH2DXCH2_coeff * H2CC_CH2DXCH2 & - C2H3_CH2DXCH2_coeff * C2H3_CH2DXCH2 & - C3H3_CH2DXCH2_coeff * C3H3_CH2DXCH2 & - HCO_CH2DXCH2_coeff * HCO_CH2DXCH2 & - CH_CH2DXCH2_coeff * CH_CH2DXCH2 & - C2O_CH2DXCH2_coeff * C2O_CH2DXCH2) CH2DXCH2_ct2 = (CH2DXCH2_ct1 & + C4H4_CH2DXCH2_coeff * C4H4_ct2 & + C2H_CH2DXCH2_coeff * C2H_ct2 & + H2CC_CH2DXCH2_coeff * H2CC_ct2 & + C2H3_CH2DXCH2_coeff * C2H3_ct2 & + C3H3_CH2DXCH2_coeff * C3H3_ct2 & + HCO_CH2DXCH2_coeff * HCO_ct2 & + CH_CH2DXCH2_coeff * CH_ct2 & + C2O_CH2DXCH2_coeff * C2O_ct2 & ) / CH2DXCH2_denom2 CH2DXCH2_CH2 = (0.0_pr & + k(r37b) * c(sH2O) + k(r63b) * c(sCO) + k(r84b) * c(sCO2) + k(r288b) * c(sN2) & + C4H4_CH2DXCH2_coeff * C4H4_CH2& + C2H_CH2DXCH2_coeff * C2H_CH2& + H2CC_CH2DXCH2_coeff * H2CC_CH2& + C2H3_CH2DXCH2_coeff * C2H3_CH2& + C3H3_CH2DXCH2_coeff * C3H3_CH2& + HCO_CH2DXCH2_coeff * HCO_CH2& + CH_CH2DXCH2_coeff * CH_CH2& + C2O_CH2DXCH2_coeff * C2O_CH2& ) / CH2DXCH2_denom2 CH2DXCH2_HCCO = (0.0_pr & + k(r149f) * c(sH) & + C4H4_CH2DXCH2_coeff * C4H4_HCCO& + C2H_CH2DXCH2_coeff * C2H_HCCO& + H2CC_CH2DXCH2_coeff * H2CC_HCCO& + C2H3_CH2DXCH2_coeff * C2H3_HCCO& + C3H3_CH2DXCH2_coeff * C3H3_HCCO& + HCO_CH2DXCH2_coeff * HCO_HCCO& + CH_CH2DXCH2_coeff * CH_HCCO& + C2O_CH2DXCH2_coeff * C2O_HCCO& ) / CH2DXCH2_denom2 CH2DXCH2_PXC3H4 = (0.0_pr & + C4H4_CH2DXCH2_coeff * C4H4_PXC3H4& + C2H_CH2DXCH2_coeff * C2H_PXC3H4& + H2CC_CH2DXCH2_coeff * H2CC_PXC3H4& + C2H3_CH2DXCH2_coeff * C2H3_PXC3H4& + C3H3_CH2DXCH2_coeff * C3H3_PXC3H4& + HCO_CH2DXCH2_coeff * HCO_PXC3H4& + CH_CH2DXCH2_coeff * CH_PXC3H4& + C2O_CH2DXCH2_coeff * C2O_PXC3H4& ) / CH2DXCH2_denom2 CH2DXCH2_CH2CHO = (0.0_pr & + C4H4_CH2DXCH2_coeff * C4H4_CH2CHO& + C2H_CH2DXCH2_coeff * C2H_CH2CHO& + H2CC_CH2DXCH2_coeff * H2CC_CH2CHO& + C2H3_CH2DXCH2_coeff * C2H3_CH2CHO& + C3H3_CH2DXCH2_coeff * C3H3_CH2CHO& + HCO_CH2DXCH2_coeff * HCO_CH2CHO& + CH_CH2DXCH2_coeff * CH_CH2CHO& + C2O_CH2DXCH2_coeff * C2O_CH2CHO& ) / CH2DXCH2_denom2 CH2DXCH2_H2C4O = (0.0_pr & + C4H4_CH2DXCH2_coeff * C4H4_H2C4O& + C2H_CH2DXCH2_coeff * C2H_H2C4O& + H2CC_CH2DXCH2_coeff * H2CC_H2C4O& + C2H3_CH2DXCH2_coeff * C2H3_H2C4O& + C3H3_CH2DXCH2_coeff * C3H3_H2C4O& + HCO_CH2DXCH2_coeff * HCO_H2C4O& + CH_CH2DXCH2_coeff * CH_H2C4O& + C2O_CH2DXCH2_coeff * C2O_H2C4O& ) / CH2DXCH2_denom2 CH2DXCH2_AXC3H5 = (0.0_pr & + k(r121b) * c(sH) & + C4H4_CH2DXCH2_coeff * C4H4_AXC3H5& + C2H_CH2DXCH2_coeff * C2H_AXC3H5& + H2CC_CH2DXCH2_coeff * H2CC_AXC3H5& + C2H3_CH2DXCH2_coeff * C2H3_AXC3H5& + C3H3_CH2DXCH2_coeff * C3H3_AXC3H5& + HCO_CH2DXCH2_coeff * HCO_AXC3H5& + CH_CH2DXCH2_coeff * CH_AXC3H5& + C2O_CH2DXCH2_coeff * C2O_AXC3H5& ) / CH2DXCH2_denom2 CH2DXCH2_C4H2 = (0.0_pr & + C4H4_CH2DXCH2_coeff * C4H4_C4H2& + C2H_CH2DXCH2_coeff * C2H_C4H2& + H2CC_CH2DXCH2_coeff * H2CC_C4H2& + C2H3_CH2DXCH2_coeff * C2H3_C4H2& + C3H3_CH2DXCH2_coeff * C3H3_C4H2& + HCO_CH2DXCH2_coeff * HCO_C4H2& + CH_CH2DXCH2_coeff * CH_C4H2& + C2O_CH2DXCH2_coeff * C2O_C4H2& ) / CH2DXCH2_denom2 CH2DXCH2_CH2_coeff = (0.0_pr & + k(r37f) * c(sH2O) + k(r63f) * c(sCO) + k(r84f) * c(sCO2) + k(r288f) * c(sN2) & + C4H4_CH2_coeff * C4H4_CH2DXCH2 & + C2H_CH2_coeff * C2H_CH2DXCH2 & + H2CC_CH2_coeff * H2CC_CH2DXCH2 & + C2H3_CH2_coeff * C2H3_CH2DXCH2 & + C3H3_CH2_coeff * C3H3_CH2DXCH2 & + HCO_CH2_coeff * HCO_CH2DXCH2 & + CH_CH2_coeff * CH_CH2DXCH2 & + C2O_CH2_coeff * C2O_CH2DXCH2 & ) CH2DXCH2_HCCO_coeff = (0.0_pr & + k(r149b) * c(sCO) & + C4H4_HCCO_coeff * C4H4_CH2DXCH2 & + C2H_HCCO_coeff * C2H_CH2DXCH2 & + H2CC_HCCO_coeff * H2CC_CH2DXCH2 & + C2H3_HCCO_coeff * C2H3_CH2DXCH2 & + C3H3_HCCO_coeff * C3H3_CH2DXCH2 & + HCO_HCCO_coeff * HCO_CH2DXCH2 & + CH_HCCO_coeff * CH_CH2DXCH2 & + C2O_HCCO_coeff * C2O_CH2DXCH2 & ) CH2DXCH2_PXC3H4_coeff = (0.0_pr & + C4H4_PXC3H4_coeff * C4H4_CH2DXCH2 & + C2H_PXC3H4_coeff * C2H_CH2DXCH2 & + H2CC_PXC3H4_coeff * H2CC_CH2DXCH2 & + C2H3_PXC3H4_coeff * C2H3_CH2DXCH2 & + C3H3_PXC3H4_coeff * C3H3_CH2DXCH2 & + HCO_PXC3H4_coeff * HCO_CH2DXCH2 & + CH_PXC3H4_coeff * CH_CH2DXCH2 & + C2O_PXC3H4_coeff * C2O_CH2DXCH2 & ) CH2DXCH2_CH2CHO_coeff = (0.0_pr & + C4H4_CH2CHO_coeff * C4H4_CH2DXCH2 & + C2H_CH2CHO_coeff * C2H_CH2DXCH2 & + H2CC_CH2CHO_coeff * H2CC_CH2DXCH2 & + C2H3_CH2CHO_coeff * C2H3_CH2DXCH2 & + C3H3_CH2CHO_coeff * C3H3_CH2DXCH2 & + HCO_CH2CHO_coeff * HCO_CH2DXCH2 & + CH_CH2CHO_coeff * CH_CH2DXCH2 & + C2O_CH2CHO_coeff * C2O_CH2DXCH2 & ) CH2DXCH2_H2C4O_coeff = (0.0_pr & + C4H4_H2C4O_coeff * C4H4_CH2DXCH2 & + C2H_H2C4O_coeff * C2H_CH2DXCH2 & + H2CC_H2C4O_coeff * H2CC_CH2DXCH2 & + C2H3_H2C4O_coeff * C2H3_CH2DXCH2 & + C3H3_H2C4O_coeff * C3H3_CH2DXCH2 & + HCO_H2C4O_coeff * HCO_CH2DXCH2 & + CH_H2C4O_coeff * CH_CH2DXCH2 & + C2O_H2C4O_coeff * C2O_CH2DXCH2 & ) CH2DXCH2_AXC3H5_coeff = (0.0_pr & + k(r121f) * c(sC2H4) & + C4H4_AXC3H5_coeff * C4H4_CH2DXCH2 & + C2H_AXC3H5_coeff * C2H_CH2DXCH2 & + H2CC_AXC3H5_coeff * H2CC_CH2DXCH2 & + C2H3_AXC3H5_coeff * C2H3_CH2DXCH2 & + C3H3_AXC3H5_coeff * C3H3_CH2DXCH2 & + HCO_AXC3H5_coeff * HCO_CH2DXCH2 & + CH_AXC3H5_coeff * CH_CH2DXCH2 & + C2O_AXC3H5_coeff * C2O_CH2DXCH2 & ) CH2DXCH2_C4H2_coeff = (0.0_pr & + C4H4_C4H2_coeff * C4H4_CH2DXCH2 & + C2H_C4H2_coeff * C2H_CH2DXCH2 & + H2CC_C4H2_coeff * H2CC_CH2DXCH2 & + C2H3_C4H2_coeff * C2H3_CH2DXCH2 & + C3H3_C4H2_coeff * C3H3_CH2DXCH2 & + HCO_C4H2_coeff * HCO_CH2DXCH2 & + CH_C4H2_coeff * CH_CH2DXCH2 & + C2O_C4H2_coeff * C2O_CH2DXCH2 & ) ! ! CH2 --------------------------------------- CH2_denom2 = tiny(1.0_pr) + (CH2_denom1 & - C4H4_CH2_coeff * C4H4_CH2 & - C2H_CH2_coeff * C2H_CH2 & - H2CC_CH2_coeff * H2CC_CH2 & - C2H3_CH2_coeff * C2H3_CH2 & - C3H3_CH2_coeff * C3H3_CH2 & - HCO_CH2_coeff * HCO_CH2 & - CH_CH2_coeff * CH_CH2 & - C2O_CH2_coeff * C2O_CH2 & - CH2DXCH2_CH2_coeff * CH2DXCH2_CH2) CH2_ct2 = (CH2_ct1 & + C4H4_CH2_coeff * C4H4_ct2 & + C2H_CH2_coeff * C2H_ct2 & + H2CC_CH2_coeff * H2CC_ct2 & + C2H3_CH2_coeff * C2H3_ct2 & + C3H3_CH2_coeff * C3H3_ct2 & + HCO_CH2_coeff * HCO_ct2 & + CH_CH2_coeff * CH_ct2 & + C2O_CH2_coeff * C2O_ct2 & + CH2DXCH2_CH2_coeff * CH2DXCH2_ct2 & ) / CH2_denom2 CH2_HCCO = (0.0_pr & + C4H4_CH2_coeff * C4H4_HCCO& + C2H_CH2_coeff * C2H_HCCO& + H2CC_CH2_coeff * H2CC_HCCO& + C2H3_CH2_coeff * C2H3_HCCO& + C3H3_CH2_coeff * C3H3_HCCO& + HCO_CH2_coeff * HCO_HCCO& + CH_CH2_coeff * CH_HCCO& + C2O_CH2_coeff * C2O_HCCO& + CH2DXCH2_CH2_coeff * CH2DXCH2_HCCO& ) / CH2_denom2 CH2_PXC3H4 = (0.0_pr & + C4H4_CH2_coeff * C4H4_PXC3H4& + C2H_CH2_coeff * C2H_PXC3H4& + H2CC_CH2_coeff * H2CC_PXC3H4& + C2H3_CH2_coeff * C2H3_PXC3H4& + C3H3_CH2_coeff * C3H3_PXC3H4& + HCO_CH2_coeff * HCO_PXC3H4& + CH_CH2_coeff * CH_PXC3H4& + C2O_CH2_coeff * C2O_PXC3H4& + CH2DXCH2_CH2_coeff * CH2DXCH2_PXC3H4& ) / CH2_denom2 CH2_CH2CHO = (0.0_pr & + C4H4_CH2_coeff * C4H4_CH2CHO& + C2H_CH2_coeff * C2H_CH2CHO& + H2CC_CH2_coeff * H2CC_CH2CHO& + C2H3_CH2_coeff * C2H3_CH2CHO& + C3H3_CH2_coeff * C3H3_CH2CHO& + HCO_CH2_coeff * HCO_CH2CHO& + CH_CH2_coeff * CH_CH2CHO& + C2O_CH2_coeff * C2O_CH2CHO& + CH2DXCH2_CH2_coeff * CH2DXCH2_CH2CHO& ) / CH2_denom2 CH2_H2C4O = (0.0_pr & + C4H4_CH2_coeff * C4H4_H2C4O& + C2H_CH2_coeff * C2H_H2C4O& + H2CC_CH2_coeff * H2CC_H2C4O& + C2H3_CH2_coeff * C2H3_H2C4O& + C3H3_CH2_coeff * C3H3_H2C4O& + HCO_CH2_coeff * HCO_H2C4O& + CH_CH2_coeff * CH_H2C4O& + C2O_CH2_coeff * C2O_H2C4O& + CH2DXCH2_CH2_coeff * CH2DXCH2_H2C4O& ) / CH2_denom2 CH2_AXC3H5 = (0.0_pr & + k(r122b) * c(sH) & + C4H4_CH2_coeff * C4H4_AXC3H5& + C2H_CH2_coeff * C2H_AXC3H5& + H2CC_CH2_coeff * H2CC_AXC3H5& + C2H3_CH2_coeff * C2H3_AXC3H5& + C3H3_CH2_coeff * C3H3_AXC3H5& + HCO_CH2_coeff * HCO_AXC3H5& + CH_CH2_coeff * CH_AXC3H5& + C2O_CH2_coeff * C2O_AXC3H5& + CH2DXCH2_CH2_coeff * CH2DXCH2_AXC3H5& ) / CH2_denom2 CH2_C4H2 = (0.0_pr & + C4H4_CH2_coeff * C4H4_C4H2& + C2H_CH2_coeff * C2H_C4H2& + H2CC_CH2_coeff * H2CC_C4H2& + C2H3_CH2_coeff * C2H3_C4H2& + C3H3_CH2_coeff * C3H3_C4H2& + HCO_CH2_coeff * HCO_C4H2& + CH_CH2_coeff * CH_C4H2& + C2O_CH2_coeff * C2O_C4H2& + CH2DXCH2_CH2_coeff * CH2DXCH2_C4H2& ) / CH2_denom2 CH2_HCCO_coeff = (0.0_pr & + C4H4_HCCO_coeff * C4H4_CH2 & + C2H_HCCO_coeff * C2H_CH2 & + H2CC_HCCO_coeff * H2CC_CH2 & + C2H3_HCCO_coeff * C2H3_CH2 & + C3H3_HCCO_coeff * C3H3_CH2 & + HCO_HCCO_coeff * HCO_CH2 & + CH_HCCO_coeff * CH_CH2 & + C2O_HCCO_coeff * C2O_CH2 & + CH2DXCH2_HCCO_coeff * CH2DXCH2_CH2 & ) CH2_PXC3H4_coeff = (0.0_pr & + C4H4_PXC3H4_coeff * C4H4_CH2 & + C2H_PXC3H4_coeff * C2H_CH2 & + H2CC_PXC3H4_coeff * H2CC_CH2 & + C2H3_PXC3H4_coeff * C2H3_CH2 & + C3H3_PXC3H4_coeff * C3H3_CH2 & + HCO_PXC3H4_coeff * HCO_CH2 & + CH_PXC3H4_coeff * CH_CH2 & + C2O_PXC3H4_coeff * C2O_CH2 & + CH2DXCH2_PXC3H4_coeff * CH2DXCH2_CH2 & ) CH2_CH2CHO_coeff = (0.0_pr & + C4H4_CH2CHO_coeff * C4H4_CH2 & + C2H_CH2CHO_coeff * C2H_CH2 & + H2CC_CH2CHO_coeff * H2CC_CH2 & + C2H3_CH2CHO_coeff * C2H3_CH2 & + C3H3_CH2CHO_coeff * C3H3_CH2 & + HCO_CH2CHO_coeff * HCO_CH2 & + CH_CH2CHO_coeff * CH_CH2 & + C2O_CH2CHO_coeff * C2O_CH2 & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_CH2 & ) CH2_H2C4O_coeff = (0.0_pr & + C4H4_H2C4O_coeff * C4H4_CH2 & + C2H_H2C4O_coeff * C2H_CH2 & + H2CC_H2C4O_coeff * H2CC_CH2 & + C2H3_H2C4O_coeff * C2H3_CH2 & + C3H3_H2C4O_coeff * C3H3_CH2 & + HCO_H2C4O_coeff * HCO_CH2 & + CH_H2C4O_coeff * CH_CH2 & + C2O_H2C4O_coeff * C2O_CH2 & + CH2DXCH2_H2C4O_coeff * CH2DXCH2_CH2 & ) CH2_AXC3H5_coeff = (0.0_pr & + k(r122f) * c(sC2H4) & + C4H4_AXC3H5_coeff * C4H4_CH2 & + C2H_AXC3H5_coeff * C2H_CH2 & + H2CC_AXC3H5_coeff * H2CC_CH2 & + C2H3_AXC3H5_coeff * C2H3_CH2 & + C3H3_AXC3H5_coeff * C3H3_CH2 & + HCO_AXC3H5_coeff * HCO_CH2 & + CH_AXC3H5_coeff * CH_CH2 & + C2O_AXC3H5_coeff * C2O_CH2 & + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_CH2 & ) CH2_C4H2_coeff = (0.0_pr & + C4H4_C4H2_coeff * C4H4_CH2 & + C2H_C4H2_coeff * C2H_CH2 & + H2CC_C4H2_coeff * H2CC_CH2 & + C2H3_C4H2_coeff * C2H3_CH2 & + C3H3_C4H2_coeff * C3H3_CH2 & + HCO_C4H2_coeff * HCO_CH2 & + CH_C4H2_coeff * CH_CH2 & + C2O_C4H2_coeff * C2O_CH2 & + CH2DXCH2_C4H2_coeff * CH2DXCH2_CH2 & ) ! ! HCCO --------------------------------------- HCCO_denom2 = tiny(1.0_pr) + (HCCO_denom1 & - C4H4_HCCO_coeff * C4H4_HCCO & - C2H_HCCO_coeff * C2H_HCCO & - H2CC_HCCO_coeff * H2CC_HCCO & - C2H3_HCCO_coeff * C2H3_HCCO & - C3H3_HCCO_coeff * C3H3_HCCO & - HCO_HCCO_coeff * HCO_HCCO & - CH_HCCO_coeff * CH_HCCO & - C2O_HCCO_coeff * C2O_HCCO & - CH2DXCH2_HCCO_coeff * CH2DXCH2_HCCO & - CH2_HCCO_coeff * CH2_HCCO) HCCO_ct2 = (HCCO_ct1 & + C4H4_HCCO_coeff * C4H4_ct2 & + C2H_HCCO_coeff * C2H_ct2 & + H2CC_HCCO_coeff * H2CC_ct2 & + C2H3_HCCO_coeff * C2H3_ct2 & + C3H3_HCCO_coeff * C3H3_ct2 & + HCO_HCCO_coeff * HCO_ct2 & + CH_HCCO_coeff * CH_ct2 & + C2O_HCCO_coeff * C2O_ct2 & + CH2DXCH2_HCCO_coeff * CH2DXCH2_ct2 & + CH2_HCCO_coeff * CH2_ct2 & ) / HCCO_denom2 HCCO_PXC3H4 = (0.0_pr & + k(r181) * c(sO) & + C4H4_HCCO_coeff * C4H4_PXC3H4& + C2H_HCCO_coeff * C2H_PXC3H4& + H2CC_HCCO_coeff * H2CC_PXC3H4& + C2H3_HCCO_coeff * C2H3_PXC3H4& + C3H3_HCCO_coeff * C3H3_PXC3H4& + HCO_HCCO_coeff * HCO_PXC3H4& + CH_HCCO_coeff * CH_PXC3H4& + C2O_HCCO_coeff * C2O_PXC3H4& + CH2DXCH2_HCCO_coeff * CH2DXCH2_PXC3H4& + CH2_HCCO_coeff * CH2_PXC3H4& ) / HCCO_denom2 HCCO_CH2CHO = (0.0_pr & + C4H4_HCCO_coeff * C4H4_CH2CHO& + C2H_HCCO_coeff * C2H_CH2CHO& + H2CC_HCCO_coeff * H2CC_CH2CHO& + C2H3_HCCO_coeff * C2H3_CH2CHO& + C3H3_HCCO_coeff * C3H3_CH2CHO& + HCO_HCCO_coeff * HCO_CH2CHO& + CH_HCCO_coeff * CH_CH2CHO& + C2O_HCCO_coeff * C2O_CH2CHO& + CH2DXCH2_HCCO_coeff * CH2DXCH2_CH2CHO& + CH2_HCCO_coeff * CH2_CH2CHO& ) / HCCO_denom2 HCCO_H2C4O = (0.0_pr & + k(r248) * c(sOH) + k(r249) * c(sH) & + C4H4_HCCO_coeff * C4H4_H2C4O& + C2H_HCCO_coeff * C2H_H2C4O& + H2CC_HCCO_coeff * H2CC_H2C4O& + C2H3_HCCO_coeff * C2H3_H2C4O& + C3H3_HCCO_coeff * C3H3_H2C4O& + HCO_HCCO_coeff * HCO_H2C4O& + CH_HCCO_coeff * CH_H2C4O& + C2O_HCCO_coeff * C2O_H2C4O& + CH2DXCH2_HCCO_coeff * CH2DXCH2_H2C4O& + CH2_HCCO_coeff * CH2_H2C4O& ) / HCCO_denom2 HCCO_AXC3H5 = (0.0_pr & + C4H4_HCCO_coeff * C4H4_AXC3H5& + C2H_HCCO_coeff * C2H_AXC3H5& + H2CC_HCCO_coeff * H2CC_AXC3H5& + C2H3_HCCO_coeff * C2H3_AXC3H5& + C3H3_HCCO_coeff * C3H3_AXC3H5& + HCO_HCCO_coeff * HCO_AXC3H5& + CH_HCCO_coeff * CH_AXC3H5& + C2O_HCCO_coeff * C2O_AXC3H5& + CH2DXCH2_HCCO_coeff * CH2DXCH2_AXC3H5& + CH2_HCCO_coeff * CH2_AXC3H5& ) / HCCO_denom2 HCCO_C4H2 = (0.0_pr & + C4H4_HCCO_coeff * C4H4_C4H2& + C2H_HCCO_coeff * C2H_C4H2& + H2CC_HCCO_coeff * H2CC_C4H2& + C2H3_HCCO_coeff * C2H3_C4H2& + C3H3_HCCO_coeff * C3H3_C4H2& + HCO_HCCO_coeff * HCO_C4H2& + CH_HCCO_coeff * CH_C4H2& + C2O_HCCO_coeff * C2O_C4H2& + CH2DXCH2_HCCO_coeff * CH2DXCH2_C4H2& + CH2_HCCO_coeff * CH2_C4H2& ) / HCCO_denom2 HCCO_PXC3H4_coeff = (0.0_pr & + C4H4_PXC3H4_coeff * C4H4_HCCO & + C2H_PXC3H4_coeff * C2H_HCCO & + H2CC_PXC3H4_coeff * H2CC_HCCO & + C2H3_PXC3H4_coeff * C2H3_HCCO & + C3H3_PXC3H4_coeff * C3H3_HCCO & + HCO_PXC3H4_coeff * HCO_HCCO & + CH_PXC3H4_coeff * CH_HCCO & + C2O_PXC3H4_coeff * C2O_HCCO & + CH2DXCH2_PXC3H4_coeff * CH2DXCH2_HCCO & + CH2_PXC3H4_coeff * CH2_HCCO & ) HCCO_CH2CHO_coeff = (0.0_pr & + C4H4_CH2CHO_coeff * C4H4_HCCO & + C2H_CH2CHO_coeff * C2H_HCCO & + H2CC_CH2CHO_coeff * H2CC_HCCO & + C2H3_CH2CHO_coeff * C2H3_HCCO & + C3H3_CH2CHO_coeff * C3H3_HCCO & + HCO_CH2CHO_coeff * HCO_HCCO & + CH_CH2CHO_coeff * CH_HCCO & + C2O_CH2CHO_coeff * C2O_HCCO & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_HCCO & + CH2_CH2CHO_coeff * CH2_HCCO & ) HCCO_H2C4O_coeff = (0.0_pr & + C4H4_H2C4O_coeff * C4H4_HCCO & + C2H_H2C4O_coeff * C2H_HCCO & + H2CC_H2C4O_coeff * H2CC_HCCO & + C2H3_H2C4O_coeff * C2H3_HCCO & + C3H3_H2C4O_coeff * C3H3_HCCO & + HCO_H2C4O_coeff * HCO_HCCO & + CH_H2C4O_coeff * CH_HCCO & + C2O_H2C4O_coeff * C2O_HCCO & + CH2DXCH2_H2C4O_coeff * CH2DXCH2_HCCO & + CH2_H2C4O_coeff * CH2_HCCO & ) HCCO_AXC3H5_coeff = (0.0_pr & + C4H4_AXC3H5_coeff * C4H4_HCCO & + C2H_AXC3H5_coeff * C2H_HCCO & + H2CC_AXC3H5_coeff * H2CC_HCCO & + C2H3_AXC3H5_coeff * C2H3_HCCO & + C3H3_AXC3H5_coeff * C3H3_HCCO & + HCO_AXC3H5_coeff * HCO_HCCO & + CH_AXC3H5_coeff * CH_HCCO & + C2O_AXC3H5_coeff * C2O_HCCO & + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_HCCO & + CH2_AXC3H5_coeff * CH2_HCCO & ) HCCO_C4H2_coeff = (0.0_pr & + C4H4_C4H2_coeff * C4H4_HCCO & + C2H_C4H2_coeff * C2H_HCCO & + H2CC_C4H2_coeff * H2CC_HCCO & + C2H3_C4H2_coeff * C2H3_HCCO & + C3H3_C4H2_coeff * C3H3_HCCO & + HCO_C4H2_coeff * HCO_HCCO & + CH_C4H2_coeff * CH_HCCO & + C2O_C4H2_coeff * C2O_HCCO & + CH2DXCH2_C4H2_coeff * CH2DXCH2_HCCO & + CH2_C4H2_coeff * CH2_HCCO & ) ! ! PXC3H4 --------------------------------------- PXC3H4_denom2 = tiny(1.0_pr) + (PXC3H4_denom1 & - C4H4_PXC3H4_coeff * C4H4_PXC3H4 & - C2H_PXC3H4_coeff * C2H_PXC3H4 & - H2CC_PXC3H4_coeff * H2CC_PXC3H4 & - C2H3_PXC3H4_coeff * C2H3_PXC3H4 & - C3H3_PXC3H4_coeff * C3H3_PXC3H4 & - HCO_PXC3H4_coeff * HCO_PXC3H4 & - CH_PXC3H4_coeff * CH_PXC3H4 & - C2O_PXC3H4_coeff * C2O_PXC3H4 & - CH2DXCH2_PXC3H4_coeff * CH2DXCH2_PXC3H4 & - CH2_PXC3H4_coeff * CH2_PXC3H4 & - HCCO_PXC3H4_coeff * HCCO_PXC3H4) PXC3H4_ct2 = (PXC3H4_ct1 & + C4H4_PXC3H4_coeff * C4H4_ct2 & + C2H_PXC3H4_coeff * C2H_ct2 & + H2CC_PXC3H4_coeff * H2CC_ct2 & + C2H3_PXC3H4_coeff * C2H3_ct2 & + C3H3_PXC3H4_coeff * C3H3_ct2 & + HCO_PXC3H4_coeff * HCO_ct2 & + CH_PXC3H4_coeff * CH_ct2 & + C2O_PXC3H4_coeff * C2O_ct2 & + CH2DXCH2_PXC3H4_coeff * CH2DXCH2_ct2 & + CH2_PXC3H4_coeff * CH2_ct2 & + HCCO_PXC3H4_coeff * HCCO_ct2 & ) / PXC3H4_denom2 PXC3H4_CH2CHO = (0.0_pr & + C4H4_PXC3H4_coeff * C4H4_CH2CHO& + C2H_PXC3H4_coeff * C2H_CH2CHO& + H2CC_PXC3H4_coeff * H2CC_CH2CHO& + C2H3_PXC3H4_coeff * C2H3_CH2CHO& + C3H3_PXC3H4_coeff * C3H3_CH2CHO& + HCO_PXC3H4_coeff * HCO_CH2CHO& + CH_PXC3H4_coeff * CH_CH2CHO& + C2O_PXC3H4_coeff * C2O_CH2CHO& + CH2DXCH2_PXC3H4_coeff * CH2DXCH2_CH2CHO& + CH2_PXC3H4_coeff * CH2_CH2CHO& + HCCO_PXC3H4_coeff * HCCO_CH2CHO& ) / PXC3H4_denom2 PXC3H4_H2C4O = (0.0_pr & + C4H4_PXC3H4_coeff * C4H4_H2C4O& + C2H_PXC3H4_coeff * C2H_H2C4O& + H2CC_PXC3H4_coeff * H2CC_H2C4O& + C2H3_PXC3H4_coeff * C2H3_H2C4O& + C3H3_PXC3H4_coeff * C3H3_H2C4O& + HCO_PXC3H4_coeff * HCO_H2C4O& + CH_PXC3H4_coeff * CH_H2C4O& + C2O_PXC3H4_coeff * C2O_H2C4O& + CH2DXCH2_PXC3H4_coeff * CH2DXCH2_H2C4O& + CH2_PXC3H4_coeff * CH2_H2C4O& + HCCO_PXC3H4_coeff * HCCO_H2C4O& ) / PXC3H4_denom2 PXC3H4_AXC3H5 = (0.0_pr & + C4H4_PXC3H4_coeff * C4H4_AXC3H5& + C2H_PXC3H4_coeff * C2H_AXC3H5& + H2CC_PXC3H4_coeff * H2CC_AXC3H5& + C2H3_PXC3H4_coeff * C2H3_AXC3H5& + C3H3_PXC3H4_coeff * C3H3_AXC3H5& + HCO_PXC3H4_coeff * HCO_AXC3H5& + CH_PXC3H4_coeff * CH_AXC3H5& + C2O_PXC3H4_coeff * C2O_AXC3H5& + CH2DXCH2_PXC3H4_coeff * CH2DXCH2_AXC3H5& + CH2_PXC3H4_coeff * CH2_AXC3H5& + HCCO_PXC3H4_coeff * HCCO_AXC3H5& ) / PXC3H4_denom2 PXC3H4_C4H2 = (0.0_pr & + C4H4_PXC3H4_coeff * C4H4_C4H2& + C2H_PXC3H4_coeff * C2H_C4H2& + H2CC_PXC3H4_coeff * H2CC_C4H2& + C2H3_PXC3H4_coeff * C2H3_C4H2& + C3H3_PXC3H4_coeff * C3H3_C4H2& + HCO_PXC3H4_coeff * HCO_C4H2& + CH_PXC3H4_coeff * CH_C4H2& + C2O_PXC3H4_coeff * C2O_C4H2& + CH2DXCH2_PXC3H4_coeff * CH2DXCH2_C4H2& + CH2_PXC3H4_coeff * CH2_C4H2& + HCCO_PXC3H4_coeff * HCCO_C4H2& ) / PXC3H4_denom2 PXC3H4_CH2CHO_coeff = (0.0_pr & + C4H4_CH2CHO_coeff * C4H4_PXC3H4 & + C2H_CH2CHO_coeff * C2H_PXC3H4 & + H2CC_CH2CHO_coeff * H2CC_PXC3H4 & + C2H3_CH2CHO_coeff * C2H3_PXC3H4 & + C3H3_CH2CHO_coeff * C3H3_PXC3H4 & + HCO_CH2CHO_coeff * HCO_PXC3H4 & + CH_CH2CHO_coeff * CH_PXC3H4 & + C2O_CH2CHO_coeff * C2O_PXC3H4 & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_PXC3H4 & + CH2_CH2CHO_coeff * CH2_PXC3H4 & + HCCO_CH2CHO_coeff * HCCO_PXC3H4 & ) PXC3H4_H2C4O_coeff = (0.0_pr & + C4H4_H2C4O_coeff * C4H4_PXC3H4 & + C2H_H2C4O_coeff * C2H_PXC3H4 & + H2CC_H2C4O_coeff * H2CC_PXC3H4 & + C2H3_H2C4O_coeff * C2H3_PXC3H4 & + C3H3_H2C4O_coeff * C3H3_PXC3H4 & + HCO_H2C4O_coeff * HCO_PXC3H4 & + CH_H2C4O_coeff * CH_PXC3H4 & + C2O_H2C4O_coeff * C2O_PXC3H4 & + CH2DXCH2_H2C4O_coeff * CH2DXCH2_PXC3H4 & + CH2_H2C4O_coeff * CH2_PXC3H4 & + HCCO_H2C4O_coeff * HCCO_PXC3H4 & ) PXC3H4_AXC3H5_coeff = (0.0_pr & + C4H4_AXC3H5_coeff * C4H4_PXC3H4 & + C2H_AXC3H5_coeff * C2H_PXC3H4 & + H2CC_AXC3H5_coeff * H2CC_PXC3H4 & + C2H3_AXC3H5_coeff * C2H3_PXC3H4 & + C3H3_AXC3H5_coeff * C3H3_PXC3H4 & + HCO_AXC3H5_coeff * HCO_PXC3H4 & + CH_AXC3H5_coeff * CH_PXC3H4 & + C2O_AXC3H5_coeff * C2O_PXC3H4 & + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_PXC3H4 & + CH2_AXC3H5_coeff * CH2_PXC3H4 & + HCCO_AXC3H5_coeff * HCCO_PXC3H4 & ) PXC3H4_C4H2_coeff = (0.0_pr & + C4H4_C4H2_coeff * C4H4_PXC3H4 & + C2H_C4H2_coeff * C2H_PXC3H4 & + H2CC_C4H2_coeff * H2CC_PXC3H4 & + C2H3_C4H2_coeff * C2H3_PXC3H4 & + C3H3_C4H2_coeff * C3H3_PXC3H4 & + HCO_C4H2_coeff * HCO_PXC3H4 & + CH_C4H2_coeff * CH_PXC3H4 & + C2O_C4H2_coeff * C2O_PXC3H4 & + CH2DXCH2_C4H2_coeff * CH2DXCH2_PXC3H4 & + CH2_C4H2_coeff * CH2_PXC3H4 & + HCCO_C4H2_coeff * HCCO_PXC3H4 & ) ! ! CH2CHO --------------------------------------- CH2CHO_denom2 = tiny(1.0_pr) + (CH2CHO_denom1 & - C4H4_CH2CHO_coeff * C4H4_CH2CHO & - C2H_CH2CHO_coeff * C2H_CH2CHO & - H2CC_CH2CHO_coeff * H2CC_CH2CHO & - C2H3_CH2CHO_coeff * C2H3_CH2CHO & - C3H3_CH2CHO_coeff * C3H3_CH2CHO & - HCO_CH2CHO_coeff * HCO_CH2CHO & - CH_CH2CHO_coeff * CH_CH2CHO & - C2O_CH2CHO_coeff * C2O_CH2CHO & - CH2DXCH2_CH2CHO_coeff * CH2DXCH2_CH2CHO & - CH2_CH2CHO_coeff * CH2_CH2CHO & - HCCO_CH2CHO_coeff * HCCO_CH2CHO & - PXC3H4_CH2CHO_coeff * PXC3H4_CH2CHO) CH2CHO_ct2 = (CH2CHO_ct1 & + C4H4_CH2CHO_coeff * C4H4_ct2 & + C2H_CH2CHO_coeff * C2H_ct2 & + H2CC_CH2CHO_coeff * H2CC_ct2 & + C2H3_CH2CHO_coeff * C2H3_ct2 & + C3H3_CH2CHO_coeff * C3H3_ct2 & + HCO_CH2CHO_coeff * HCO_ct2 & + CH_CH2CHO_coeff * CH_ct2 & + C2O_CH2CHO_coeff * C2O_ct2 & + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_ct2 & + CH2_CH2CHO_coeff * CH2_ct2 & + HCCO_CH2CHO_coeff * HCCO_ct2 & + PXC3H4_CH2CHO_coeff * PXC3H4_ct2 & ) / CH2CHO_denom2 CH2CHO_H2C4O = (0.0_pr & + C4H4_CH2CHO_coeff * C4H4_H2C4O& + C2H_CH2CHO_coeff * C2H_H2C4O& + H2CC_CH2CHO_coeff * H2CC_H2C4O& + C2H3_CH2CHO_coeff * C2H3_H2C4O& + C3H3_CH2CHO_coeff * C3H3_H2C4O& + HCO_CH2CHO_coeff * HCO_H2C4O& + CH_CH2CHO_coeff * CH_H2C4O& + C2O_CH2CHO_coeff * C2O_H2C4O& + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_H2C4O& + CH2_CH2CHO_coeff * CH2_H2C4O& + HCCO_CH2CHO_coeff * HCCO_H2C4O& + PXC3H4_CH2CHO_coeff * PXC3H4_H2C4O& ) / CH2CHO_denom2 CH2CHO_AXC3H5 = (0.0_pr & + C4H4_CH2CHO_coeff * C4H4_AXC3H5& + C2H_CH2CHO_coeff * C2H_AXC3H5& + H2CC_CH2CHO_coeff * H2CC_AXC3H5& + C2H3_CH2CHO_coeff * C2H3_AXC3H5& + C3H3_CH2CHO_coeff * C3H3_AXC3H5& + HCO_CH2CHO_coeff * HCO_AXC3H5& + CH_CH2CHO_coeff * CH_AXC3H5& + C2O_CH2CHO_coeff * C2O_AXC3H5& + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_AXC3H5& + CH2_CH2CHO_coeff * CH2_AXC3H5& + HCCO_CH2CHO_coeff * HCCO_AXC3H5& + PXC3H4_CH2CHO_coeff * PXC3H4_AXC3H5& ) / CH2CHO_denom2 CH2CHO_C4H2 = (0.0_pr & + C4H4_CH2CHO_coeff * C4H4_C4H2& + C2H_CH2CHO_coeff * C2H_C4H2& + H2CC_CH2CHO_coeff * H2CC_C4H2& + C2H3_CH2CHO_coeff * C2H3_C4H2& + C3H3_CH2CHO_coeff * C3H3_C4H2& + HCO_CH2CHO_coeff * HCO_C4H2& + CH_CH2CHO_coeff * CH_C4H2& + C2O_CH2CHO_coeff * C2O_C4H2& + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_C4H2& + CH2_CH2CHO_coeff * CH2_C4H2& + HCCO_CH2CHO_coeff * HCCO_C4H2& + PXC3H4_CH2CHO_coeff * PXC3H4_C4H2& ) / CH2CHO_denom2 CH2CHO_H2C4O_coeff = (0.0_pr & + C4H4_H2C4O_coeff * C4H4_CH2CHO & + C2H_H2C4O_coeff * C2H_CH2CHO & + H2CC_H2C4O_coeff * H2CC_CH2CHO & + C2H3_H2C4O_coeff * C2H3_CH2CHO & + C3H3_H2C4O_coeff * C3H3_CH2CHO & + HCO_H2C4O_coeff * HCO_CH2CHO & + CH_H2C4O_coeff * CH_CH2CHO & + C2O_H2C4O_coeff * C2O_CH2CHO & + CH2DXCH2_H2C4O_coeff * CH2DXCH2_CH2CHO & + CH2_H2C4O_coeff * CH2_CH2CHO & + HCCO_H2C4O_coeff * HCCO_CH2CHO & + PXC3H4_H2C4O_coeff * PXC3H4_CH2CHO & ) CH2CHO_AXC3H5_coeff = (0.0_pr & + C4H4_AXC3H5_coeff * C4H4_CH2CHO & + C2H_AXC3H5_coeff * C2H_CH2CHO & + H2CC_AXC3H5_coeff * H2CC_CH2CHO & + C2H3_AXC3H5_coeff * C2H3_CH2CHO & + C3H3_AXC3H5_coeff * C3H3_CH2CHO & + HCO_AXC3H5_coeff * HCO_CH2CHO & + CH_AXC3H5_coeff * CH_CH2CHO & + C2O_AXC3H5_coeff * C2O_CH2CHO & + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_CH2CHO & + CH2_AXC3H5_coeff * CH2_CH2CHO & + HCCO_AXC3H5_coeff * HCCO_CH2CHO & + PXC3H4_AXC3H5_coeff * PXC3H4_CH2CHO & ) CH2CHO_C4H2_coeff = (0.0_pr & + C4H4_C4H2_coeff * C4H4_CH2CHO & + C2H_C4H2_coeff * C2H_CH2CHO & + H2CC_C4H2_coeff * H2CC_CH2CHO & + C2H3_C4H2_coeff * C2H3_CH2CHO & + C3H3_C4H2_coeff * C3H3_CH2CHO & + HCO_C4H2_coeff * HCO_CH2CHO & + CH_C4H2_coeff * CH_CH2CHO & + C2O_C4H2_coeff * C2O_CH2CHO & + CH2DXCH2_C4H2_coeff * CH2DXCH2_CH2CHO & + CH2_C4H2_coeff * CH2_CH2CHO & + HCCO_C4H2_coeff * HCCO_CH2CHO & + PXC3H4_C4H2_coeff * PXC3H4_CH2CHO & ) ! ! H2C4O --------------------------------------- H2C4O_denom2 = tiny(1.0_pr) + (H2C4O_denom1 & - C4H4_H2C4O_coeff * C4H4_H2C4O & - C2H_H2C4O_coeff * C2H_H2C4O & - H2CC_H2C4O_coeff * H2CC_H2C4O & - C2H3_H2C4O_coeff * C2H3_H2C4O & - C3H3_H2C4O_coeff * C3H3_H2C4O & - HCO_H2C4O_coeff * HCO_H2C4O & - CH_H2C4O_coeff * CH_H2C4O & - C2O_H2C4O_coeff * C2O_H2C4O & - CH2DXCH2_H2C4O_coeff * CH2DXCH2_H2C4O & - CH2_H2C4O_coeff * CH2_H2C4O & - HCCO_H2C4O_coeff * HCCO_H2C4O & - PXC3H4_H2C4O_coeff * PXC3H4_H2C4O & - CH2CHO_H2C4O_coeff * CH2CHO_H2C4O) H2C4O_ct2 = (H2C4O_ct1 & + C4H4_H2C4O_coeff * C4H4_ct2 & + C2H_H2C4O_coeff * C2H_ct2 & + H2CC_H2C4O_coeff * H2CC_ct2 & + C2H3_H2C4O_coeff * C2H3_ct2 & + C3H3_H2C4O_coeff * C3H3_ct2 & + HCO_H2C4O_coeff * HCO_ct2 & + CH_H2C4O_coeff * CH_ct2 & + C2O_H2C4O_coeff * C2O_ct2 & + CH2DXCH2_H2C4O_coeff * CH2DXCH2_ct2 & + CH2_H2C4O_coeff * CH2_ct2 & + HCCO_H2C4O_coeff * HCCO_ct2 & + PXC3H4_H2C4O_coeff * PXC3H4_ct2 & + CH2CHO_H2C4O_coeff * CH2CHO_ct2 & ) / H2C4O_denom2 H2C4O_AXC3H5 = (0.0_pr & + C4H4_H2C4O_coeff * C4H4_AXC3H5& + C2H_H2C4O_coeff * C2H_AXC3H5& + H2CC_H2C4O_coeff * H2CC_AXC3H5& + C2H3_H2C4O_coeff * C2H3_AXC3H5& + C3H3_H2C4O_coeff * C3H3_AXC3H5& + HCO_H2C4O_coeff * HCO_AXC3H5& + CH_H2C4O_coeff * CH_AXC3H5& + C2O_H2C4O_coeff * C2O_AXC3H5& + CH2DXCH2_H2C4O_coeff * CH2DXCH2_AXC3H5& + CH2_H2C4O_coeff * CH2_AXC3H5& + HCCO_H2C4O_coeff * HCCO_AXC3H5& + PXC3H4_H2C4O_coeff * PXC3H4_AXC3H5& + CH2CHO_H2C4O_coeff * CH2CHO_AXC3H5& ) / H2C4O_denom2 H2C4O_C4H2 = (0.0_pr & + k(r212) * c(sOH) & + C4H4_H2C4O_coeff * C4H4_C4H2& + C2H_H2C4O_coeff * C2H_C4H2& + H2CC_H2C4O_coeff * H2CC_C4H2& + C2H3_H2C4O_coeff * C2H3_C4H2& + C3H3_H2C4O_coeff * C3H3_C4H2& + HCO_H2C4O_coeff * HCO_C4H2& + CH_H2C4O_coeff * CH_C4H2& + C2O_H2C4O_coeff * C2O_C4H2& + CH2DXCH2_H2C4O_coeff * CH2DXCH2_C4H2& + CH2_H2C4O_coeff * CH2_C4H2& + HCCO_H2C4O_coeff * HCCO_C4H2& + PXC3H4_H2C4O_coeff * PXC3H4_C4H2& + CH2CHO_H2C4O_coeff * CH2CHO_C4H2& ) / H2C4O_denom2 H2C4O_AXC3H5_coeff = (0.0_pr & + C4H4_AXC3H5_coeff * C4H4_H2C4O & + C2H_AXC3H5_coeff * C2H_H2C4O & + H2CC_AXC3H5_coeff * H2CC_H2C4O & + C2H3_AXC3H5_coeff * C2H3_H2C4O & + C3H3_AXC3H5_coeff * C3H3_H2C4O & + HCO_AXC3H5_coeff * HCO_H2C4O & + CH_AXC3H5_coeff * CH_H2C4O & + C2O_AXC3H5_coeff * C2O_H2C4O & + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_H2C4O & + CH2_AXC3H5_coeff * CH2_H2C4O & + HCCO_AXC3H5_coeff * HCCO_H2C4O & + PXC3H4_AXC3H5_coeff * PXC3H4_H2C4O & + CH2CHO_AXC3H5_coeff * CH2CHO_H2C4O & ) H2C4O_C4H2_coeff = (0.0_pr & + C4H4_C4H2_coeff * C4H4_H2C4O & + C2H_C4H2_coeff * C2H_H2C4O & + H2CC_C4H2_coeff * H2CC_H2C4O & + C2H3_C4H2_coeff * C2H3_H2C4O & + C3H3_C4H2_coeff * C3H3_H2C4O & + HCO_C4H2_coeff * HCO_H2C4O & + CH_C4H2_coeff * CH_H2C4O & + C2O_C4H2_coeff * C2O_H2C4O & + CH2DXCH2_C4H2_coeff * CH2DXCH2_H2C4O & + CH2_C4H2_coeff * CH2_H2C4O & + HCCO_C4H2_coeff * HCCO_H2C4O & + PXC3H4_C4H2_coeff * PXC3H4_H2C4O & + CH2CHO_C4H2_coeff * CH2CHO_H2C4O & ) ! ! AXC3H5 --------------------------------------- AXC3H5_denom2 = tiny(1.0_pr) + (AXC3H5_denom1 & - C4H4_AXC3H5_coeff * C4H4_AXC3H5 & - C2H_AXC3H5_coeff * C2H_AXC3H5 & - H2CC_AXC3H5_coeff * H2CC_AXC3H5 & - C2H3_AXC3H5_coeff * C2H3_AXC3H5 & - C3H3_AXC3H5_coeff * C3H3_AXC3H5 & - HCO_AXC3H5_coeff * HCO_AXC3H5 & - CH_AXC3H5_coeff * CH_AXC3H5 & - C2O_AXC3H5_coeff * C2O_AXC3H5 & - CH2DXCH2_AXC3H5_coeff * CH2DXCH2_AXC3H5 & - CH2_AXC3H5_coeff * CH2_AXC3H5 & - HCCO_AXC3H5_coeff * HCCO_AXC3H5 & - PXC3H4_AXC3H5_coeff * PXC3H4_AXC3H5 & - CH2CHO_AXC3H5_coeff * CH2CHO_AXC3H5 & - H2C4O_AXC3H5_coeff * H2C4O_AXC3H5) AXC3H5_ct2 = (AXC3H5_ct1 & + C4H4_AXC3H5_coeff * C4H4_ct2 & + C2H_AXC3H5_coeff * C2H_ct2 & + H2CC_AXC3H5_coeff * H2CC_ct2 & + C2H3_AXC3H5_coeff * C2H3_ct2 & + C3H3_AXC3H5_coeff * C3H3_ct2 & + HCO_AXC3H5_coeff * HCO_ct2 & + CH_AXC3H5_coeff * CH_ct2 & + C2O_AXC3H5_coeff * C2O_ct2 & + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_ct2 & + CH2_AXC3H5_coeff * CH2_ct2 & + HCCO_AXC3H5_coeff * HCCO_ct2 & + PXC3H4_AXC3H5_coeff * PXC3H4_ct2 & + CH2CHO_AXC3H5_coeff * CH2CHO_ct2 & + H2C4O_AXC3H5_coeff * H2C4O_ct2 & ) / AXC3H5_denom2 AXC3H5_C4H2 = (0.0_pr & + C4H4_AXC3H5_coeff * C4H4_C4H2& + C2H_AXC3H5_coeff * C2H_C4H2& + H2CC_AXC3H5_coeff * H2CC_C4H2& + C2H3_AXC3H5_coeff * C2H3_C4H2& + C3H3_AXC3H5_coeff * C3H3_C4H2& + HCO_AXC3H5_coeff * HCO_C4H2& + CH_AXC3H5_coeff * CH_C4H2& + C2O_AXC3H5_coeff * C2O_C4H2& + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_C4H2& + CH2_AXC3H5_coeff * CH2_C4H2& + HCCO_AXC3H5_coeff * HCCO_C4H2& + PXC3H4_AXC3H5_coeff * PXC3H4_C4H2& + CH2CHO_AXC3H5_coeff * CH2CHO_C4H2& + H2C4O_AXC3H5_coeff * H2C4O_C4H2& ) / AXC3H5_denom2 AXC3H5_C4H2_coeff = (0.0_pr & + C4H4_C4H2_coeff * C4H4_AXC3H5 & + C2H_C4H2_coeff * C2H_AXC3H5 & + H2CC_C4H2_coeff * H2CC_AXC3H5 & + C2H3_C4H2_coeff * C2H3_AXC3H5 & + C3H3_C4H2_coeff * C3H3_AXC3H5 & + HCO_C4H2_coeff * HCO_AXC3H5 & + CH_C4H2_coeff * CH_AXC3H5 & + C2O_C4H2_coeff * C2O_AXC3H5 & + CH2DXCH2_C4H2_coeff * CH2DXCH2_AXC3H5 & + CH2_C4H2_coeff * CH2_AXC3H5 & + HCCO_C4H2_coeff * HCCO_AXC3H5 & + PXC3H4_C4H2_coeff * PXC3H4_AXC3H5 & + CH2CHO_C4H2_coeff * CH2CHO_AXC3H5 & + H2C4O_C4H2_coeff * H2C4O_AXC3H5 & ) ! ! C4H2 --------------------------------------- C4H2_denom2 = tiny(1.0_pr) + (C4H2_denom1 & - C4H4_C4H2_coeff * C4H4_C4H2 & - C2H_C4H2_coeff * C2H_C4H2 & - H2CC_C4H2_coeff * H2CC_C4H2 & - C2H3_C4H2_coeff * C2H3_C4H2 & - C3H3_C4H2_coeff * C3H3_C4H2 & - HCO_C4H2_coeff * HCO_C4H2 & - CH_C4H2_coeff * CH_C4H2 & - C2O_C4H2_coeff * C2O_C4H2 & - CH2DXCH2_C4H2_coeff * CH2DXCH2_C4H2 & - CH2_C4H2_coeff * CH2_C4H2 & - HCCO_C4H2_coeff * HCCO_C4H2 & - PXC3H4_C4H2_coeff * PXC3H4_C4H2 & - CH2CHO_C4H2_coeff * CH2CHO_C4H2 & - H2C4O_C4H2_coeff * H2C4O_C4H2 & - AXC3H5_C4H2_coeff * AXC3H5_C4H2) C4H2_ct2 = (C4H2_ct1 & + C4H4_C4H2_coeff * C4H4_ct2 & + C2H_C4H2_coeff * C2H_ct2 & + H2CC_C4H2_coeff * H2CC_ct2 & + C2H3_C4H2_coeff * C2H3_ct2 & + C3H3_C4H2_coeff * C3H3_ct2 & + HCO_C4H2_coeff * HCO_ct2 & + CH_C4H2_coeff * CH_ct2 & + C2O_C4H2_coeff * C2O_ct2 & + CH2DXCH2_C4H2_coeff * CH2DXCH2_ct2 & + CH2_C4H2_coeff * CH2_ct2 & + HCCO_C4H2_coeff * HCCO_ct2 & + PXC3H4_C4H2_coeff * PXC3H4_ct2 & + CH2CHO_C4H2_coeff * CH2CHO_ct2 & + H2C4O_C4H2_coeff * H2C4O_ct2 & + AXC3H5_C4H2_coeff * AXC3H5_ct2 & ) / C4H2_denom2 ! ! Reconstruction ------------------------------------ cqss(sC4H2 - nspec) = (C4H2_ct2) cqss(sAXC3H5 - nspec) = (AXC3H5_ct2 & + AXC3H5_C4H2 * cqss(sC4H2 - nspec)) cqss(sH2C4O - nspec) = (H2C4O_ct2 & + H2C4O_AXC3H5 * cqss(sAXC3H5 - nspec)& + H2C4O_C4H2 * cqss(sC4H2 - nspec)) cqss(sCH2CHO - nspec) = (CH2CHO_ct2 & + CH2CHO_H2C4O * cqss(sH2C4O - nspec)& + CH2CHO_AXC3H5 * cqss(sAXC3H5 - nspec)& + CH2CHO_C4H2 * cqss(sC4H2 - nspec)) cqss(sPXC3H4 - nspec) = (PXC3H4_ct2 & + PXC3H4_CH2CHO * cqss(sCH2CHO - nspec)& + PXC3H4_H2C4O * cqss(sH2C4O - nspec)& + PXC3H4_AXC3H5 * cqss(sAXC3H5 - nspec)& + PXC3H4_C4H2 * cqss(sC4H2 - nspec)) cqss(sHCCO - nspec) = (HCCO_ct2 & + HCCO_PXC3H4 * cqss(sPXC3H4 - nspec)& + HCCO_CH2CHO * cqss(sCH2CHO - nspec)& + HCCO_H2C4O * cqss(sH2C4O - nspec)& + HCCO_AXC3H5 * cqss(sAXC3H5 - nspec)& + HCCO_C4H2 * cqss(sC4H2 - nspec)) cqss(sCH2 - nspec) = (CH2_ct2 & + CH2_HCCO * cqss(sHCCO - nspec)& + CH2_PXC3H4 * cqss(sPXC3H4 - nspec)& + CH2_CH2CHO * cqss(sCH2CHO - nspec)& + CH2_H2C4O * cqss(sH2C4O - nspec)& + CH2_AXC3H5 * cqss(sAXC3H5 - nspec)& + CH2_C4H2 * cqss(sC4H2 - nspec)) cqss(sCH2DXCH2 - nspec) = (CH2DXCH2_ct2 & + CH2DXCH2_CH2 * cqss(sCH2 - nspec)& + CH2DXCH2_HCCO * cqss(sHCCO - nspec)& + CH2DXCH2_PXC3H4 * cqss(sPXC3H4 - nspec)& + CH2DXCH2_CH2CHO * cqss(sCH2CHO - nspec)& + CH2DXCH2_H2C4O * cqss(sH2C4O - nspec)& + CH2DXCH2_AXC3H5 * cqss(sAXC3H5 - nspec)& + CH2DXCH2_C4H2 * cqss(sC4H2 - nspec)) cqss(sC2O - nspec) = (C2O_ct2 & + C2O_CH2DXCH2 * cqss(sCH2DXCH2 - nspec)& + C2O_CH2 * cqss(sCH2 - nspec)& + C2O_HCCO * cqss(sHCCO - nspec)& + C2O_PXC3H4 * cqss(sPXC3H4 - nspec)& + C2O_CH2CHO * cqss(sCH2CHO - nspec)& + C2O_H2C4O * cqss(sH2C4O - nspec)& + C2O_AXC3H5 * cqss(sAXC3H5 - nspec)& + C2O_C4H2 * cqss(sC4H2 - nspec)) cqss(sCH - nspec) = (CH_ct2 & + CH_C2O * cqss(sC2O - nspec)& + CH_CH2DXCH2 * cqss(sCH2DXCH2 - nspec)& + CH_CH2 * cqss(sCH2 - nspec)& + CH_HCCO * cqss(sHCCO - nspec)& + CH_PXC3H4 * cqss(sPXC3H4 - nspec)& + CH_CH2CHO * cqss(sCH2CHO - nspec)& + CH_H2C4O * cqss(sH2C4O - nspec)& + CH_AXC3H5 * cqss(sAXC3H5 - nspec)& + CH_C4H2 * cqss(sC4H2 - nspec)) cqss(sHCO - nspec) = (HCO_ct2 & + HCO_CH * cqss(sCH - nspec)& + HCO_C2O * cqss(sC2O - nspec)& + HCO_CH2DXCH2 * cqss(sCH2DXCH2 - nspec)& + HCO_CH2 * cqss(sCH2 - nspec)& + HCO_HCCO * cqss(sHCCO - nspec)& + HCO_PXC3H4 * cqss(sPXC3H4 - nspec)& + HCO_CH2CHO * cqss(sCH2CHO - nspec)& + HCO_H2C4O * cqss(sH2C4O - nspec)& + HCO_AXC3H5 * cqss(sAXC3H5 - nspec)& + HCO_C4H2 * cqss(sC4H2 - nspec)) cqss(sC3H3 - nspec) = (C3H3_ct2 & + C3H3_HCO * cqss(sHCO - nspec)& + C3H3_CH * cqss(sCH - nspec)& + C3H3_C2O * cqss(sC2O - nspec)& + C3H3_CH2DXCH2 * cqss(sCH2DXCH2 - nspec)& + C3H3_CH2 * cqss(sCH2 - nspec)& + C3H3_HCCO * cqss(sHCCO - nspec)& + C3H3_PXC3H4 * cqss(sPXC3H4 - nspec)& + C3H3_CH2CHO * cqss(sCH2CHO - nspec)& + C3H3_H2C4O * cqss(sH2C4O - nspec)& + C3H3_AXC3H5 * cqss(sAXC3H5 - nspec)& + C3H3_C4H2 * cqss(sC4H2 - nspec)) cqss(sC2H3 - nspec) = (C2H3_ct2 & + C2H3_C3H3 * cqss(sC3H3 - nspec)& + C2H3_HCO * cqss(sHCO - nspec)& + C2H3_CH * cqss(sCH - nspec)& + C2H3_C2O * cqss(sC2O - nspec)& + C2H3_CH2DXCH2 * cqss(sCH2DXCH2 - nspec)& + C2H3_CH2 * cqss(sCH2 - nspec)& + C2H3_HCCO * cqss(sHCCO - nspec)& + C2H3_PXC3H4 * cqss(sPXC3H4 - nspec)& + C2H3_CH2CHO * cqss(sCH2CHO - nspec)& + C2H3_H2C4O * cqss(sH2C4O - nspec)& + C2H3_AXC3H5 * cqss(sAXC3H5 - nspec)& + C2H3_C4H2 * cqss(sC4H2 - nspec)) cqss(sH2CC - nspec) = (H2CC_ct2 & + H2CC_C2H3 * cqss(sC2H3 - nspec)& + H2CC_C3H3 * cqss(sC3H3 - nspec)& + H2CC_HCO * cqss(sHCO - nspec)& + H2CC_CH * cqss(sCH - nspec)& + H2CC_C2O * cqss(sC2O - nspec)& + H2CC_CH2DXCH2 * cqss(sCH2DXCH2 - nspec)& + H2CC_CH2 * cqss(sCH2 - nspec)& + H2CC_HCCO * cqss(sHCCO - nspec)& + H2CC_PXC3H4 * cqss(sPXC3H4 - nspec)& + H2CC_CH2CHO * cqss(sCH2CHO - nspec)& + H2CC_H2C4O * cqss(sH2C4O - nspec)& + H2CC_AXC3H5 * cqss(sAXC3H5 - nspec)& + H2CC_C4H2 * cqss(sC4H2 - nspec)) cqss(sC2H - nspec) = (C2H_ct2 & + C2H_H2CC * cqss(sH2CC - nspec)& + C2H_C2H3 * cqss(sC2H3 - nspec)& + C2H_C3H3 * cqss(sC3H3 - nspec)& + C2H_HCO * cqss(sHCO - nspec)& + C2H_CH * cqss(sCH - nspec)& + C2H_C2O * cqss(sC2O - nspec)& + C2H_CH2DXCH2 * cqss(sCH2DXCH2 - nspec)& + C2H_CH2 * cqss(sCH2 - nspec)& + C2H_HCCO * cqss(sHCCO - nspec)& + C2H_PXC3H4 * cqss(sPXC3H4 - nspec)& + C2H_CH2CHO * cqss(sCH2CHO - nspec)& + C2H_H2C4O * cqss(sH2C4O - nspec)& + C2H_AXC3H5 * cqss(sAXC3H5 - nspec)& + C2H_C4H2 * cqss(sC4H2 - nspec)) cqss(sC4H4 - nspec) = (C4H4_ct2 & + C4H4_C2H * cqss(sC2H - nspec)& + C4H4_H2CC * cqss(sH2CC - nspec)& + C4H4_C2H3 * cqss(sC2H3 - nspec)& + C4H4_C3H3 * cqss(sC3H3 - nspec)& + C4H4_HCO * cqss(sHCO - nspec)& + C4H4_CH * cqss(sCH - nspec)& + C4H4_C2O * cqss(sC2O - nspec)& + C4H4_CH2DXCH2 * cqss(sCH2DXCH2 - nspec)& + C4H4_CH2 * cqss(sCH2 - nspec)& + C4H4_HCCO * cqss(sHCCO - nspec)& + C4H4_PXC3H4 * cqss(sPXC3H4 - nspec)& + C4H4_CH2CHO * cqss(sCH2CHO - nspec)& + C4H4_H2C4O * cqss(sH2C4O - nspec)& + C4H4_AXC3H5 * cqss(sAXC3H5 - nspec)& + C4H4_C4H2 * cqss(sC4H2 - nspec)) ! ! cqss(sC2H5) (uncoupled) -------------------- cqss(sC2H5 - nspec) = (0.0_pr & + k(r46f) * c(sCH3) * c(sCH3) & + k(r124f) * c(sC2H4) * c(sH) & + k(r131) * c(sC2H4) * cqss(sHCO - nspec) & + k(r136b) * c(sHO2) * c(sC2H4) & + k(r141) * c(sC2H6) * c(sO) & + k(r142f) * c(sC2H6) * c(sH) & + k(r143) * c(sC2H6) * c(sOH) & + k(r144) * c(sC2H6) * c(sCH3) & + k(r188) * c(sCH3) * cqss(sAXC3H5 - nspec) & + k(r199) * c(sC3H6) * c(sO) & + k(r208) * cqss(sNXC3H7 - nspec) * c(sO) & + k(r209) * cqss(sNXC3H7 - nspec) * c(sH) & + k(r210) * cqss(sNXC3H7 - nspec) * c(sHO2) & + k(r239f) * c(sC4H81XC4H8) * c(sH) & + k(r250) * c(sC5H10) & + k(r251) * c(sC5H10) * c(sH) & + k(r264) * c(sC6H12) * c(sH) & ) / (tiny(1.0_pr) + (& + k(r46b) * c(sH) & + k(r124b) & + k(r135) * c(sHO2) & + k(r136f) * c(sO2) & + k(r137) * c(sHO2) & + k(r138) * c(sO) & + k(r139) * c(sHO2) & + k(r140) * c(sH) & + k(r142b) * c(sH2) & + k(r239b) * c(sC2H4))) end subroutine get_QSS end module mC12H262537327TJ !subroutine externe au module pour CANTERA subroutine customkinetics(P, T, Y, WDOT) use mC12H262537327TJ 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(27) :: 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, cclip) CALL get_rate_coefficients(k, M, T, P) CALL get_QSS(cqss, cclip, 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 customkinetics