!-------------------------------------------------------------------------------------------------- ! Copyright (c) CERFACS (all rights reserved) !-------------------------------------------------------------------------------------------------- ! 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, G. Hannebique !! @date 31/03/2017 !! @since V7.0.1 !! @note Réduction analytique avec YARC du schéma JETSURF. !-------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------- ! MODULE mod_NC12H26_25_373_27_TJ !> @details Module generated from YARC Fortran routine generator to compute the chemical source terms. !! @authors T. Jaravel, G. Hannebique !! @date 31/03/2017 !-------------------------------------------------------------------------------------------------- MODULE mod_NC12H26_25_373_27_TJ USE mod_param_defs IMPLICIT NONE 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 :: mM47 = 1 INTEGER, PARAMETER :: mM35 = 2 INTEGER, PARAMETER :: mM65 = 3 INTEGER, PARAMETER :: mM43 = 4 INTEGER, PARAMETER :: mM17 = 5 INTEGER, PARAMETER :: mM28 = 6 INTEGER, PARAMETER :: mM13 = 7 INTEGER, PARAMETER :: mM24 = 8 INTEGER, PARAMETER :: mM66 = 9 INTEGER, PARAMETER :: mM16 = 10 INTEGER, PARAMETER :: mM41 = 11 INTEGER, PARAMETER :: mM27 = 12 INTEGER, PARAMETER :: mM7 = 13 INTEGER, PARAMETER :: mM30 = 14 INTEGER, PARAMETER :: mM29 = 15 INTEGER, PARAMETER :: mM5 = 16 INTEGER, PARAMETER :: mM42 = 17 INTEGER, PARAMETER :: mM23 = 18 INTEGER, PARAMETER :: mM36 = 19 INTEGER, PARAMETER :: mM3 = 20 INTEGER, PARAMETER :: mM6 = 21 INTEGER, PARAMETER :: mM37 = 22 INTEGER, PARAMETER :: mM10 = 23 INTEGER, PARAMETER :: mM19 = 24 INTEGER, PARAMETER :: mM2 = 25 INTEGER, PARAMETER :: mM8 = 26 CONTAINS ! 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>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) END DO bla = P/(bla*T*8.31451_pr) DO K = 1, nspec c(K) = MAX(c(K),1.0e-60_pr) * bla END DO END SUBROUTINE YtoC ! --- Thirdbodies --- ! SUBROUTINE get_thirdbodies(M,c) IMPLICIT NONE REAL(pr), DIMENSION(nspec) :: c REAL(pr), DIMENSION(27) :: M 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(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(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(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) 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(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(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(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(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(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(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(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(mM7) = (1_pr)*c(sH2)& + (0.75_pr)*c(sCO)& + (11_pr)*c(sH2O)& + (2.6_pr)*c(sCO2)& + 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(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(mM5) = (-0.15_pr)*c(sO2)& + (0.0900000000000001_pr)*c(sCO)& + (1.18_pr)*c(sCO2)& + (10.89_pr)*c(sH2O)& + 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(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(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(mM3) = (2.6_pr)*c(sCO2)& + (11_pr)*c(sH2O)& + (0.75_pr)*c(sCO)& + (1_pr)*c(sH2)& + 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(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(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(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(mM2) = (0.75_pr)*c(sCO)& + (2.6_pr)*c(sCO2)& + (5.3_pr)*c(sH2O)& + (1_pr)*c(sH2)& + sum(c) M(mM8) = (1_pr)*c(sH2)& + (2.6_pr)*c(sCO2)& + (0.75_pr)*c(sCO)& + (-1_pr)*c(sH2O)& + 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) :: C2H_denom1& , C2H_ct1& , C2H_denom2& , C2H_ct2& , C2H_C2H3& , C2H_C4H2& , C2H_H2C4O& , C2H_PXC3H4& , C2H_CH2CHO& , C2H_C2H3_coeff& , C2H_C4H2_coeff& , C2H_H2C4O_coeff& , C2H_PXC3H4_coeff& , C2H_CH2CHO_coeff REAL(pr) :: C3H3_denom1& , C3H3_ct1& , C3H3_denom2& , C3H3_ct2& , C3H3_HCO& , C3H3_C4H4& , C3H3_H2CC& , C3H3_C2H& , C3H3_C2H3& , C3H3_C4H2& , C3H3_H2C4O& , C3H3_PXC3H4& , C3H3_CH2CHO& , C3H3_HCO_coeff& , C3H3_C4H4_coeff& , C3H3_H2CC_coeff& , C3H3_C2H_coeff& , C3H3_C2H3_coeff& , C3H3_C4H2_coeff& , C3H3_H2C4O_coeff& , C3H3_PXC3H4_coeff& , C3H3_CH2CHO_coeff REAL(pr) :: IXC4H5_denom1& , IXC4H5_ct1& , IXC4H5_denom2& , IXC4H5_ct2 REAL(pr) :: H2C4O_denom1& , H2C4O_ct1& , H2C4O_denom2& , H2C4O_ct2& , H2C4O_PXC3H4& , H2C4O_CH2CHO& , H2C4O_PXC3H4_coeff& , H2C4O_CH2CHO_coeff REAL(pr) :: C4H5X2XC4H5_denom1& , C4H5X2XC4H5_ct1& , C4H5X2XC4H5_denom2& , C4H5X2XC4H5_ct2& , C4H5X2XC4H5_IXC4H5& , C4H5X2XC4H5_IXC4H5_coeff REAL(pr) :: C4H4_denom1& , C4H4_ct1& , C4H4_denom2& , C4H4_ct2& , C4H4_H2CC& , C4H4_C2H& , C4H4_C2H3& , C4H4_C4H2& , C4H4_H2C4O& , C4H4_PXC3H4& , C4H4_CH2CHO& , C4H4_H2CC_coeff& , C4H4_C2H_coeff& , C4H4_C2H3_coeff& , C4H4_C4H2_coeff& , C4H4_H2C4O_coeff& , C4H4_PXC3H4_coeff& , C4H4_CH2CHO_coeff REAL(pr) :: HCCO_denom1& , HCCO_ct1& , HCCO_denom2& , HCCO_ct2& , HCCO_CH& , HCCO_CH2& , HCCO_CH2DXCH2& , HCCO_AXC3H5& , HCCO_C3H3& , HCCO_HCO& , HCCO_C4H4& , HCCO_H2CC& , HCCO_C2H& , HCCO_C2H3& , HCCO_C4H2& , HCCO_H2C4O& , HCCO_PXC3H4& , HCCO_CH2CHO& , HCCO_CH_coeff& , HCCO_CH2_coeff& , HCCO_CH2DXCH2_coeff& , HCCO_AXC3H5_coeff& , HCCO_C3H3_coeff& , HCCO_HCO_coeff& , HCCO_C4H4_coeff& , HCCO_H2CC_coeff& , HCCO_C2H_coeff& , HCCO_C2H3_coeff& , HCCO_C4H2_coeff& , HCCO_H2C4O_coeff& , HCCO_PXC3H4_coeff& , HCCO_CH2CHO_coeff REAL(pr) :: C2O_denom1& , C2O_ct1& , C2O_denom2& , C2O_ct2& , C2O_HCCO& , C2O_CH& , C2O_CH2& , C2O_CH2DXCH2& , C2O_AXC3H5& , C2O_C3H3& , C2O_HCO& , C2O_C4H4& , C2O_H2CC& , C2O_C2H& , C2O_C2H3& , C2O_C4H2& , C2O_H2C4O& , C2O_PXC3H4& , C2O_CH2CHO& , C2O_HCCO_coeff& , C2O_CH_coeff& , C2O_CH2_coeff& , C2O_CH2DXCH2_coeff& , C2O_AXC3H5_coeff& , C2O_C3H3_coeff& , C2O_HCO_coeff& , C2O_C4H4_coeff& , C2O_H2CC_coeff& , C2O_C2H_coeff& , C2O_C2H3_coeff& , C2O_C4H2_coeff& , C2O_H2C4O_coeff& , C2O_PXC3H4_coeff& , C2O_CH2CHO_coeff REAL(pr) :: C4H2_denom1& , C4H2_ct1& , C4H2_denom2& , C4H2_ct2& , C4H2_H2C4O& , C4H2_PXC3H4& , C4H2_CH2CHO& , C4H2_H2C4O_coeff& , C4H2_PXC3H4_coeff& , C4H2_CH2CHO_coeff REAL(pr) :: CH_denom1& , CH_ct1& , CH_denom2& , CH_ct2& , CH_CH2& , CH_CH2DXCH2& , CH_AXC3H5& , CH_C3H3& , CH_HCO& , CH_C4H4& , CH_H2CC& , CH_C2H& , CH_C2H3& , CH_C4H2& , CH_H2C4O& , CH_PXC3H4& , CH_CH2CHO& , CH_CH2_coeff& , CH_CH2DXCH2_coeff& , CH_AXC3H5_coeff& , CH_C3H3_coeff& , CH_HCO_coeff& , CH_C4H4_coeff& , CH_H2CC_coeff& , CH_C2H_coeff& , CH_C2H3_coeff& , CH_C4H2_coeff& , CH_H2C4O_coeff& , CH_PXC3H4_coeff& , CH_CH2CHO_coeff REAL(pr) :: PXC3H4_denom1& , PXC3H4_ct1& , PXC3H4_denom2& , PXC3H4_ct2& , PXC3H4_CH2CHO& , PXC3H4_CH2CHO_coeff REAL(pr) :: H2CC_denom1& , H2CC_ct1& , H2CC_denom2& , H2CC_ct2& , H2CC_C2H& , H2CC_C2H3& , H2CC_C4H2& , H2CC_H2C4O& , H2CC_PXC3H4& , H2CC_CH2CHO& , H2CC_C2H_coeff& , H2CC_C2H3_coeff& , H2CC_C4H2_coeff& , H2CC_H2C4O_coeff& , H2CC_PXC3H4_coeff& , H2CC_CH2CHO_coeff REAL(pr) :: AXC3H5_denom1& , AXC3H5_ct1& , AXC3H5_denom2& , AXC3H5_ct2& , AXC3H5_C3H3& , AXC3H5_HCO& , AXC3H5_C4H4& , AXC3H5_H2CC& , AXC3H5_C2H& , AXC3H5_C2H3& , AXC3H5_C4H2& , AXC3H5_H2C4O& , AXC3H5_PXC3H4& , AXC3H5_CH2CHO& , AXC3H5_C3H3_coeff& , AXC3H5_HCO_coeff& , AXC3H5_C4H4_coeff& , AXC3H5_H2CC_coeff& , AXC3H5_C2H_coeff& , AXC3H5_C2H3_coeff& , AXC3H5_C4H2_coeff& , AXC3H5_H2C4O_coeff& , AXC3H5_PXC3H4_coeff& , AXC3H5_CH2CHO_coeff REAL(pr) :: C2H3_denom1& , C2H3_ct1& , C2H3_denom2& , C2H3_ct2& , C2H3_C4H2& , C2H3_H2C4O& , C2H3_PXC3H4& , C2H3_CH2CHO& , C2H3_C4H2_coeff& , C2H3_H2C4O_coeff& , C2H3_PXC3H4_coeff& , C2H3_CH2CHO_coeff REAL(pr) :: C6H5CO_denom1& , C6H5CO_ct1& , C6H5CO_denom2& , C6H5CO_ct2& , C6H5CO_OXXC6H4& , C6H5CO_OXXC6H4_coeff REAL(pr) :: C6H5_denom1& , C6H5_ct1& , C6H5_denom2& , C6H5_ct2& , C6H5_C6H5CO& , C6H5_OXXC6H4& , C6H5_C6H5CO_coeff& , C6H5_OXXC6H4_coeff REAL(pr) :: CH2_denom1& , CH2_ct1& , CH2_denom2& , CH2_ct2& , CH2_CH2DXCH2& , CH2_AXC3H5& , CH2_C3H3& , CH2_HCO& , CH2_C4H4& , CH2_H2CC& , CH2_C2H& , CH2_C2H3& , CH2_C4H2& , CH2_H2C4O& , CH2_PXC3H4& , CH2_CH2CHO& , CH2_CH2DXCH2_coeff& , CH2_AXC3H5_coeff& , CH2_C3H3_coeff& , CH2_HCO_coeff& , CH2_C4H4_coeff& , CH2_H2CC_coeff& , CH2_C2H_coeff& , CH2_C2H3_coeff& , CH2_C4H2_coeff& , CH2_H2C4O_coeff& , CH2_PXC3H4_coeff& , CH2_CH2CHO_coeff REAL(pr) :: OXXC6H4_denom1& , OXXC6H4_ct1& , OXXC6H4_denom2& , OXXC6H4_ct2 REAL(pr) :: CH2CHO_denom1& , CH2CHO_ct1& , CH2CHO_denom2& , CH2CHO_ct2 REAL(pr) :: HCO_denom1& , HCO_ct1& , HCO_denom2& , HCO_ct2& , HCO_C4H4& , HCO_H2CC& , HCO_C2H& , HCO_C2H3& , HCO_C4H2& , HCO_H2C4O& , HCO_PXC3H4& , HCO_CH2CHO& , HCO_C4H4_coeff& , HCO_H2CC_coeff& , HCO_C2H_coeff& , HCO_C2H3_coeff& , HCO_C4H2_coeff& , HCO_H2C4O_coeff& , HCO_PXC3H4_coeff& , HCO_CH2CHO_coeff REAL(pr) :: CH2DXCH2_denom1& , CH2DXCH2_ct1& , CH2DXCH2_denom2& , CH2DXCH2_ct2& , CH2DXCH2_AXC3H5& , CH2DXCH2_C3H3& , CH2DXCH2_HCO& , CH2DXCH2_C4H4& , CH2DXCH2_H2CC& , CH2DXCH2_C2H& , CH2DXCH2_C2H3& , CH2DXCH2_C4H2& , CH2DXCH2_H2C4O& , CH2DXCH2_PXC3H4& , CH2DXCH2_CH2CHO& , CH2DXCH2_AXC3H5_coeff& , CH2DXCH2_C3H3_coeff& , CH2DXCH2_HCO_coeff& , CH2DXCH2_C4H4_coeff& , CH2DXCH2_H2CC_coeff& , CH2DXCH2_C2H_coeff& , CH2DXCH2_C2H3_coeff& , CH2DXCH2_C4H2_coeff& , CH2DXCH2_H2C4O_coeff& , CH2DXCH2_PXC3H4_coeff& , CH2DXCH2_CH2CHO_coeff ! 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(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(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(sC6H5) c(sC6H5CO) c(sOXXC6H4) (coupled) -------------------- ! Primary denominators----------------------- 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)& ) OXXC6H4_denom1 = TINY(1.0_pr) + ( 0.0_pr& + k(r254)& + k(r257b) * c(sH)& ) ! Primary constant parts ----------------------- 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_ct1 = ( 0.0_pr ) ! C6H5 --------------------------------------- C6H5_denom2 = TINY(1.0_pr) + ( C6H5_denom1 ) C6H5_ct2 = ( C6H5_ct1& ) / C6H5_denom2 C6H5_C6H5CO = ( 0.0_pr& + k(r267f)& ) / C6H5_denom2 C6H5_OXXC6H4 = ( 0.0_pr& + k(r257b) * c(sH)& ) / C6H5_denom2 C6H5_C6H5CO_coeff = ( 0.0_pr& + k(r267b) * c(sCO)& ) C6H5_OXXC6H4_coeff = ( 0.0_pr& + k(r255) * c(sH)+ k(r257f)& ) ! C6H5CO --------------------------------------- C6H5CO_denom2 = TINY(1.0_pr) + ( C6H5CO_denom1& - C6H5_C6H5CO_coeff * C6H5_C6H5CO ) C6H5CO_ct2 = ( C6H5CO_ct1& + C6H5_C6H5CO_coeff * C6H5_ct2& ) / C6H5CO_denom2 C6H5CO_OXXC6H4 = ( 0.0_pr& + C6H5_C6H5CO_coeff * C6H5_OXXC6H4& ) / C6H5CO_denom2 C6H5CO_OXXC6H4_coeff = ( 0.0_pr& + C6H5_OXXC6H4_coeff * C6H5_C6H5CO& ) ! OXXC6H4 --------------------------------------- OXXC6H4_denom2 = TINY(1.0_pr) + ( OXXC6H4_denom1& - C6H5_OXXC6H4_coeff * C6H5_OXXC6H4& - C6H5CO_OXXC6H4_coeff * C6H5CO_OXXC6H4 ) OXXC6H4_ct2 = ( OXXC6H4_ct1& + C6H5_OXXC6H4_coeff * C6H5_ct2& + C6H5CO_OXXC6H4_coeff * C6H5CO_ct2& ) / OXXC6H4_denom2 ! Reconstruction ------------------------------------ cqss(sOXXC6H4-nspec) = ( OXXC6H4_ct2 ) cqss(sC6H5CO-nspec) = ( C6H5CO_ct2& + C6H5CO_OXXC6H4 * cqss(sOXXC6H4-nspec) ) cqss(sC6H5-nspec) = ( C6H5_ct2& + C6H5_C6H5CO * cqss(sC6H5CO-nspec)& + C6H5_OXXC6H4 * cqss(sOXXC6H4-nspec) ) ! 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(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) ) ) ! c(sC4H5X2XC4H5) c(sIXC4H5) (coupled) -------------------- ! Primary denominators----------------------- C4H5X2XC4H5_denom1 = TINY(1.0_pr) + ( 0.0_pr& + k(r216b) * c(sH)& + k(r225f) * c(sC2H2)& + k(r226f)& ) 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)& ) ! Primary constant parts ----------------------- C4H5X2XC4H5_ct1 = ( 0.0_pr& + k(r225b) * c(sH) * c(sC6H6) ) 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 --------------------------------------- C4H5X2XC4H5_denom2 = TINY(1.0_pr) + ( C4H5X2XC4H5_denom1 ) C4H5X2XC4H5_ct2 = ( C4H5X2XC4H5_ct1& ) / C4H5X2XC4H5_denom2 C4H5X2XC4H5_IXC4H5 = ( 0.0_pr& + k(r216f) * c(sH)+ k(r226b)& ) / C4H5X2XC4H5_denom2 C4H5X2XC4H5_IXC4H5_coeff = ( 0.0_pr& + k(r216b) * c(sH) + k(r226f)& ) ! IXC4H5 --------------------------------------- IXC4H5_denom2 = TINY(1.0_pr) + ( IXC4H5_denom1& - C4H5X2XC4H5_IXC4H5_coeff * C4H5X2XC4H5_IXC4H5 ) IXC4H5_ct2 = ( IXC4H5_ct1& + C4H5X2XC4H5_IXC4H5_coeff * C4H5X2XC4H5_ct2& ) / IXC4H5_denom2 ! Reconstruction ------------------------------------ cqss(sIXC4H5-nspec) = ( IXC4H5_ct2 ) cqss(sC4H5X2XC4H5-nspec) = ( C4H5X2XC4H5_ct2& + C4H5X2XC4H5_IXC4H5 * cqss(sIXC4H5-nspec) ) ! c(sC2O) c(sHCCO) c(sCH) c(sCH2) c(sCH2DXCH2) c(sAXC3H5) c(sC3H3) c(sHCO) c(sC4H4) c(sH2CC) c(sC2H) c(sC2H3) c(sC4H2) c(sH2C4O) c(sPXC3H4) c(sCH2CHO) (coupled) -------------------- ! Primary denominators----------------------- 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)& ) 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)& ) 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)& ) 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)& ) 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)& ) 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)& ) 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)& ) C4H4_denom1 = TINY(1.0_pr) + ( 0.0_pr& + k(r100b)& + k(r112b) * c(sH)& + k(r213) * c(sO)& ) 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)& ) 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)& ) 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)& ) C4H2_denom1 = TINY(1.0_pr) + ( 0.0_pr& + k(r99b) * c(sH)& + k(r212) * c(sOH)& ) H2C4O_denom1 = TINY(1.0_pr) + ( 0.0_pr& + k(r248) * c(sOH)& + k(r249) * c(sH)& ) 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)& ) ! Primary constant parts ----------------------- C2O_ct1 = ( 0.0_pr ) 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) ) CH_ct1 = ( 0.0_pr ) 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) ) CH2DXCH2_ct1 = ( 0.0_pr& + k(r34b) * c(sH) * c(sCH3)& + k(r39) * c(sCH3) * c(sCH3)& + k(r47f) * c(sCH3) * c(sOH) ) 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) ) 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) ) C4H4_ct1 = ( 0.0_pr& + k(r214) * cqss(sIXC4H5-nspec) *c(sH)& + k(r220) * cqss(sIXC4H5-nspec)& + k(r222) * cqss(sIXC4H5-nspec) *c(sOH) ) H2CC_ct1 = ( 0.0_pr& + k(r101f) * c(sC2H2)& + k(r102b) * c(sH) * c(sC2H2)& + k(r129) * c(sC2H4) ) C2H_ct1 = ( 0.0_pr& + k(r85b) * c(sC2H2) * c(sH)& + k(r95f) * c(sC2H2) * c(sO)& + k(r96f) * c(sC2H2) * c(sOH) ) 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) ) C4H2_ct1 = ( 0.0_pr& + k(r254) * cqss(sOXXC6H4-nspec) ) H2C4O_ct1 = ( 0.0_pr ) 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) ) ! C2O --------------------------------------- C2O_denom2 = TINY(1.0_pr) + ( C2O_denom1 ) C2O_ct2 = ( C2O_ct1& ) / C2O_denom2 C2O_HCCO = ( 0.0_pr& + k(r155f) * c(sOH)& ) / C2O_denom2 C2O_CH = ( 0.0_pr& + k(r147b) * c(sCO)& ) / C2O_denom2 C2O_CH2 = ( 0.0_pr& ) / C2O_denom2 C2O_CH2DXCH2 = ( 0.0_pr& ) / C2O_denom2 C2O_AXC3H5 = ( 0.0_pr& ) / C2O_denom2 C2O_C3H3 = ( 0.0_pr& ) / C2O_denom2 C2O_HCO = ( 0.0_pr& ) / C2O_denom2 C2O_C4H4 = ( 0.0_pr& ) / C2O_denom2 C2O_H2CC = ( 0.0_pr& ) / C2O_denom2 C2O_C2H = ( 0.0_pr& ) / C2O_denom2 C2O_C2H3 = ( 0.0_pr& ) / C2O_denom2 C2O_C4H2 = ( 0.0_pr& ) / C2O_denom2 C2O_H2C4O = ( 0.0_pr& ) / C2O_denom2 C2O_PXC3H4 = ( 0.0_pr& ) / C2O_denom2 C2O_CH2CHO = ( 0.0_pr& ) / C2O_denom2 C2O_HCCO_coeff = ( 0.0_pr& + k(r155b) * c(sH2O)& ) C2O_CH_coeff = ( 0.0_pr& + k(r147f) * c(sH)& ) C2O_CH2_coeff = ( 0.0_pr& ) C2O_CH2DXCH2_coeff = ( 0.0_pr& ) C2O_AXC3H5_coeff = ( 0.0_pr& ) C2O_C3H3_coeff = ( 0.0_pr& ) C2O_HCO_coeff = ( 0.0_pr& ) C2O_C4H4_coeff = ( 0.0_pr& ) C2O_H2CC_coeff = ( 0.0_pr& ) C2O_C2H_coeff = ( 0.0_pr& ) C2O_C2H3_coeff = ( 0.0_pr& ) C2O_C4H2_coeff = ( 0.0_pr& ) C2O_H2C4O_coeff = ( 0.0_pr& ) C2O_PXC3H4_coeff = ( 0.0_pr& ) C2O_CH2CHO_coeff = ( 0.0_pr& ) ! HCCO --------------------------------------- HCCO_denom2 = TINY(1.0_pr) + ( HCCO_denom1& - C2O_HCCO_coeff * C2O_HCCO ) HCCO_ct2 = ( HCCO_ct1& + C2O_HCCO_coeff * C2O_ct2& ) / HCCO_denom2 HCCO_CH = ( 0.0_pr& + k(r59f) * c(sCO)& + C2O_HCCO_coeff * C2O_CH& ) / HCCO_denom2 HCCO_CH2 = ( 0.0_pr& + C2O_HCCO_coeff * C2O_CH2& ) / HCCO_denom2 HCCO_CH2DXCH2 = ( 0.0_pr& + k(r149b) * c(sCO)& + C2O_HCCO_coeff * C2O_CH2DXCH2& ) / HCCO_denom2 HCCO_AXC3H5 = ( 0.0_pr& + C2O_HCCO_coeff * C2O_AXC3H5& ) / HCCO_denom2 HCCO_C3H3 = ( 0.0_pr& + C2O_HCCO_coeff * C2O_C3H3& ) / HCCO_denom2 HCCO_HCO = ( 0.0_pr& + C2O_HCCO_coeff * C2O_HCO& ) / HCCO_denom2 HCCO_C4H4 = ( 0.0_pr& + C2O_HCCO_coeff * C2O_C4H4& ) / HCCO_denom2 HCCO_H2CC = ( 0.0_pr& + C2O_HCCO_coeff * C2O_H2CC& ) / HCCO_denom2 HCCO_C2H = ( 0.0_pr& + k(r87) * c(sOH)& + C2O_HCCO_coeff * C2O_C2H& ) / HCCO_denom2 HCCO_C2H3 = ( 0.0_pr& + C2O_HCCO_coeff * C2O_C2H3& ) / HCCO_denom2 HCCO_C4H2 = ( 0.0_pr& + C2O_HCCO_coeff * C2O_C4H2& ) / HCCO_denom2 HCCO_H2C4O = ( 0.0_pr& + k(r248) * c(sOH)+ k(r249) * c(sH)& + C2O_HCCO_coeff * C2O_H2C4O& ) / HCCO_denom2 HCCO_PXC3H4 = ( 0.0_pr& + k(r181) * c(sO)& + C2O_HCCO_coeff * C2O_PXC3H4& ) / HCCO_denom2 HCCO_CH2CHO = ( 0.0_pr& + C2O_HCCO_coeff * C2O_CH2CHO& ) / HCCO_denom2 HCCO_CH_coeff = ( 0.0_pr& + k(r59b)& + C2O_CH_coeff * C2O_HCCO& ) HCCO_CH2_coeff = ( 0.0_pr& + C2O_CH2_coeff * C2O_HCCO& ) HCCO_CH2DXCH2_coeff = ( 0.0_pr& + k(r149f) * c(sH)& + C2O_CH2DXCH2_coeff * C2O_HCCO& ) HCCO_AXC3H5_coeff = ( 0.0_pr& + C2O_AXC3H5_coeff * C2O_HCCO& ) HCCO_C3H3_coeff = ( 0.0_pr& + C2O_C3H3_coeff * C2O_HCCO& ) HCCO_HCO_coeff = ( 0.0_pr& + C2O_HCO_coeff * C2O_HCCO& ) HCCO_C4H4_coeff = ( 0.0_pr& + C2O_C4H4_coeff * C2O_HCCO& ) HCCO_H2CC_coeff = ( 0.0_pr& + C2O_H2CC_coeff * C2O_HCCO& ) HCCO_C2H_coeff = ( 0.0_pr& + C2O_C2H_coeff * C2O_HCCO& ) HCCO_C2H3_coeff = ( 0.0_pr& + C2O_C2H3_coeff * C2O_HCCO& ) HCCO_C4H2_coeff = ( 0.0_pr& + C2O_C4H2_coeff * C2O_HCCO& ) HCCO_H2C4O_coeff = ( 0.0_pr& + C2O_H2C4O_coeff * C2O_HCCO& ) HCCO_PXC3H4_coeff = ( 0.0_pr& + C2O_PXC3H4_coeff * C2O_HCCO& ) HCCO_CH2CHO_coeff = ( 0.0_pr& + C2O_CH2CHO_coeff * C2O_HCCO& ) ! CH --------------------------------------- CH_denom2 = TINY(1.0_pr) + ( CH_denom1& - C2O_CH_coeff * C2O_CH& - HCCO_CH_coeff * HCCO_CH ) CH_ct2 = ( CH_ct1& + C2O_CH_coeff * C2O_ct2& + HCCO_CH_coeff * HCCO_ct2& ) / CH_denom2 CH_CH2 = ( 0.0_pr& + k(r24b) * c(sH) + k(r32f) * c(sOH)& + C2O_CH_coeff * C2O_CH2& + HCCO_CH_coeff * HCCO_CH2& ) / CH_denom2 CH_CH2DXCH2 = ( 0.0_pr& + k(r38) * c(sH)& + C2O_CH_coeff * C2O_CH2DXCH2& + HCCO_CH_coeff * HCCO_CH2DXCH2& ) / CH_denom2 CH_AXC3H5 = ( 0.0_pr& + C2O_CH_coeff * C2O_AXC3H5& + HCCO_CH_coeff * HCCO_AXC3H5& ) / CH_denom2 CH_C3H3 = ( 0.0_pr& + C2O_CH_coeff * C2O_C3H3& + HCCO_CH_coeff * HCCO_C3H3& ) / CH_denom2 CH_HCO = ( 0.0_pr& + C2O_CH_coeff * C2O_HCO& + HCCO_CH_coeff * HCCO_HCO& ) / CH_denom2 CH_C4H4 = ( 0.0_pr& + C2O_CH_coeff * C2O_C4H4& + HCCO_CH_coeff * HCCO_C4H4& ) / CH_denom2 CH_H2CC = ( 0.0_pr& + C2O_CH_coeff * C2O_H2CC& + HCCO_CH_coeff * HCCO_H2CC& ) / CH_denom2 CH_C2H = ( 0.0_pr& + k(r88) * c(sO)& + C2O_CH_coeff * C2O_C2H& + HCCO_CH_coeff * HCCO_C2H& ) / CH_denom2 CH_C2H3 = ( 0.0_pr& + C2O_CH_coeff * C2O_C2H3& + HCCO_CH_coeff * HCCO_C2H3& ) / CH_denom2 CH_C4H2 = ( 0.0_pr& + C2O_CH_coeff * C2O_C4H2& + HCCO_CH_coeff * HCCO_C4H2& ) / CH_denom2 CH_H2C4O = ( 0.0_pr& + C2O_CH_coeff * C2O_H2C4O& + HCCO_CH_coeff * HCCO_H2C4O& ) / CH_denom2 CH_PXC3H4 = ( 0.0_pr& + C2O_CH_coeff * C2O_PXC3H4& + HCCO_CH_coeff * HCCO_PXC3H4& ) / CH_denom2 CH_CH2CHO = ( 0.0_pr& + C2O_CH_coeff * C2O_CH2CHO& + HCCO_CH_coeff * HCCO_CH2CHO& ) / CH_denom2 CH_CH2_coeff = ( 0.0_pr& + k(r24f) * c(sH2)+ k(r32b) * c(sH2O)& + C2O_CH2_coeff * C2O_CH& + HCCO_CH2_coeff * HCCO_CH& ) CH_CH2DXCH2_coeff = ( 0.0_pr& + C2O_CH2DXCH2_coeff * C2O_CH& + HCCO_CH2DXCH2_coeff * HCCO_CH& ) CH_AXC3H5_coeff = ( 0.0_pr& + C2O_AXC3H5_coeff * C2O_CH& + HCCO_AXC3H5_coeff * HCCO_CH& ) CH_C3H3_coeff = ( 0.0_pr& + C2O_C3H3_coeff * C2O_CH& + HCCO_C3H3_coeff * HCCO_CH& ) CH_HCO_coeff = ( 0.0_pr& + k(r25) * c(sO2)+ k(r26) * c(sOH)+ k(r83) * c(sCO2)& + C2O_HCO_coeff * C2O_CH& + HCCO_HCO_coeff * HCCO_CH& ) CH_C4H4_coeff = ( 0.0_pr& + C2O_C4H4_coeff * C2O_CH& + HCCO_C4H4_coeff * HCCO_CH& ) CH_H2CC_coeff = ( 0.0_pr& + C2O_H2CC_coeff * C2O_CH& + HCCO_H2CC_coeff * HCCO_CH& ) CH_C2H_coeff = ( 0.0_pr& + C2O_C2H_coeff * C2O_CH& + HCCO_C2H_coeff * HCCO_CH& ) CH_C2H3_coeff = ( 0.0_pr& + k(r52) * c(sCH3)& + C2O_C2H3_coeff * C2O_CH& + HCCO_C2H3_coeff * HCCO_CH& ) CH_C4H2_coeff = ( 0.0_pr& + C2O_C4H2_coeff * C2O_CH& + HCCO_C4H2_coeff * HCCO_CH& ) CH_H2C4O_coeff = ( 0.0_pr& + C2O_H2C4O_coeff * C2O_CH& + HCCO_H2C4O_coeff * HCCO_CH& ) CH_PXC3H4_coeff = ( 0.0_pr& + k(r123) * c(sC2H4)& + C2O_PXC3H4_coeff * C2O_CH& + HCCO_PXC3H4_coeff * HCCO_CH& ) CH_CH2CHO_coeff = ( 0.0_pr& + C2O_CH2CHO_coeff * C2O_CH& + HCCO_CH2CHO_coeff * HCCO_CH& ) ! CH2 --------------------------------------- CH2_denom2 = TINY(1.0_pr) + ( CH2_denom1& - C2O_CH2_coeff * C2O_CH2& - HCCO_CH2_coeff * HCCO_CH2& - CH_CH2_coeff * CH_CH2 ) CH2_ct2 = ( CH2_ct1& + C2O_CH2_coeff * C2O_ct2& + HCCO_CH2_coeff * HCCO_ct2& + CH_CH2_coeff * CH_ct2& ) / CH2_denom2 CH2_CH2DXCH2 = ( 0.0_pr& + k(r37f) * c(sH2O)+ k(r63f) * c(sCO)+ k(r84f) * c(sCO2)+ k(r288f) * c(sN2)& + C2O_CH2_coeff * C2O_CH2DXCH2& + HCCO_CH2_coeff * HCCO_CH2DXCH2& + CH_CH2_coeff * CH_CH2DXCH2& ) / CH2_denom2 CH2_AXC3H5 = ( 0.0_pr& + k(r122b) * c(sH)& + C2O_CH2_coeff * C2O_AXC3H5& + HCCO_CH2_coeff * HCCO_AXC3H5& + CH_CH2_coeff * CH_AXC3H5& ) / CH2_denom2 CH2_C3H3 = ( 0.0_pr& + C2O_CH2_coeff * C2O_C3H3& + HCCO_CH2_coeff * HCCO_C3H3& + CH_CH2_coeff * CH_C3H3& ) / CH2_denom2 CH2_HCO = ( 0.0_pr& + C2O_CH2_coeff * C2O_HCO& + HCCO_CH2_coeff * HCCO_HCO& + CH_CH2_coeff * CH_HCO& ) / CH2_denom2 CH2_C4H4 = ( 0.0_pr& + C2O_CH2_coeff * C2O_C4H4& + HCCO_CH2_coeff * HCCO_C4H4& + CH_CH2_coeff * CH_C4H4& ) / CH2_denom2 CH2_H2CC = ( 0.0_pr& + C2O_CH2_coeff * C2O_H2CC& + HCCO_CH2_coeff * HCCO_H2CC& + CH_CH2_coeff * CH_H2CC& ) / CH2_denom2 CH2_C2H = ( 0.0_pr& + C2O_CH2_coeff * C2O_C2H& + HCCO_CH2_coeff * HCCO_C2H& + CH_CH2_coeff * CH_C2H& ) / CH2_denom2 CH2_C2H3 = ( 0.0_pr& + C2O_CH2_coeff * C2O_C2H3& + HCCO_CH2_coeff * HCCO_C2H3& + CH_CH2_coeff * CH_C2H3& ) / CH2_denom2 CH2_C4H2 = ( 0.0_pr& + C2O_CH2_coeff * C2O_C4H2& + HCCO_CH2_coeff * HCCO_C4H2& + CH_CH2_coeff * CH_C4H2& ) / CH2_denom2 CH2_H2C4O = ( 0.0_pr& + C2O_CH2_coeff * C2O_H2C4O& + HCCO_CH2_coeff * HCCO_H2C4O& + CH_CH2_coeff * CH_H2C4O& ) / CH2_denom2 CH2_PXC3H4 = ( 0.0_pr& + C2O_CH2_coeff * C2O_PXC3H4& + HCCO_CH2_coeff * HCCO_PXC3H4& + CH_CH2_coeff * CH_PXC3H4& ) / CH2_denom2 CH2_CH2CHO = ( 0.0_pr& + C2O_CH2_coeff * C2O_CH2CHO& + HCCO_CH2_coeff * HCCO_CH2CHO& + CH_CH2_coeff * CH_CH2CHO& ) / CH2_denom2 CH2_CH2DXCH2_coeff = ( 0.0_pr& + k(r37b) * c(sH2O) + k(r63b) * c(sCO) + k(r84b) * c(sCO2) + k(r288b) * c(sN2)& + C2O_CH2DXCH2_coeff * C2O_CH2& + HCCO_CH2DXCH2_coeff * HCCO_CH2& + CH_CH2DXCH2_coeff * CH_CH2& ) CH2_AXC3H5_coeff = ( 0.0_pr& + k(r122f) * c(sC2H4)& + C2O_AXC3H5_coeff * C2O_CH2& + HCCO_AXC3H5_coeff * HCCO_CH2& + CH_AXC3H5_coeff * CH_CH2& ) CH2_C3H3_coeff = ( 0.0_pr& + k(r97) * c(sC2H2)& + C2O_C3H3_coeff * C2O_CH2& + HCCO_C3H3_coeff * HCCO_CH2& + CH_C3H3_coeff * CH_CH2& ) CH2_HCO_coeff = ( 0.0_pr& + k(r27) * c(sO2)+ k(r28) * c(sO)& + C2O_HCO_coeff * C2O_CH2& + HCCO_HCO_coeff * HCCO_CH2& + CH_HCO_coeff * CH_CH2& ) CH2_C4H4_coeff = ( 0.0_pr& + C2O_C4H4_coeff * C2O_CH2& + HCCO_C4H4_coeff * HCCO_CH2& + CH_C4H4_coeff * CH_CH2& ) CH2_H2CC_coeff = ( 0.0_pr& + C2O_H2CC_coeff * C2O_CH2& + HCCO_H2CC_coeff * HCCO_CH2& + CH_H2CC_coeff * CH_CH2& ) CH2_C2H_coeff = ( 0.0_pr& + C2O_C2H_coeff * C2O_CH2& + HCCO_C2H_coeff * HCCO_CH2& + CH_C2H_coeff * CH_CH2& ) CH2_C2H3_coeff = ( 0.0_pr& + C2O_C2H3_coeff * C2O_CH2& + HCCO_C2H3_coeff * HCCO_CH2& + CH_C2H3_coeff * CH_CH2& ) CH2_C4H2_coeff = ( 0.0_pr& + C2O_C4H2_coeff * C2O_CH2& + HCCO_C4H2_coeff * HCCO_CH2& + CH_C4H2_coeff * CH_CH2& ) CH2_H2C4O_coeff = ( 0.0_pr& + C2O_H2C4O_coeff * C2O_CH2& + HCCO_H2C4O_coeff * HCCO_CH2& + CH_H2C4O_coeff * CH_CH2& ) CH2_PXC3H4_coeff = ( 0.0_pr& + C2O_PXC3H4_coeff * C2O_CH2& + HCCO_PXC3H4_coeff * HCCO_CH2& + CH_PXC3H4_coeff * CH_CH2& ) CH2_CH2CHO_coeff = ( 0.0_pr& + C2O_CH2CHO_coeff * C2O_CH2& + HCCO_CH2CHO_coeff * HCCO_CH2& + CH_CH2CHO_coeff * CH_CH2& ) ! CH2DXCH2 --------------------------------------- CH2DXCH2_denom2 = TINY(1.0_pr) + ( CH2DXCH2_denom1& - C2O_CH2DXCH2_coeff * C2O_CH2DXCH2& - HCCO_CH2DXCH2_coeff * HCCO_CH2DXCH2& - CH_CH2DXCH2_coeff * CH_CH2DXCH2& - CH2_CH2DXCH2_coeff * CH2_CH2DXCH2 ) CH2DXCH2_ct2 = ( CH2DXCH2_ct1& + C2O_CH2DXCH2_coeff * C2O_ct2& + HCCO_CH2DXCH2_coeff * HCCO_ct2& + CH_CH2DXCH2_coeff * CH_ct2& + CH2_CH2DXCH2_coeff * CH2_ct2& ) / CH2DXCH2_denom2 CH2DXCH2_AXC3H5 = ( 0.0_pr& + k(r121b) * c(sH)& + C2O_CH2DXCH2_coeff * C2O_AXC3H5& + HCCO_CH2DXCH2_coeff * HCCO_AXC3H5& + CH_CH2DXCH2_coeff * CH_AXC3H5& + CH2_CH2DXCH2_coeff * CH2_AXC3H5& ) / CH2DXCH2_denom2 CH2DXCH2_C3H3 = ( 0.0_pr& + C2O_CH2DXCH2_coeff * C2O_C3H3& + HCCO_CH2DXCH2_coeff * HCCO_C3H3& + CH_CH2DXCH2_coeff * CH_C3H3& + CH2_CH2DXCH2_coeff * CH2_C3H3& ) / CH2DXCH2_denom2 CH2DXCH2_HCO = ( 0.0_pr& + C2O_CH2DXCH2_coeff * C2O_HCO& + HCCO_CH2DXCH2_coeff * HCCO_HCO& + CH_CH2DXCH2_coeff * CH_HCO& + CH2_CH2DXCH2_coeff * CH2_HCO& ) / CH2DXCH2_denom2 CH2DXCH2_C4H4 = ( 0.0_pr& + C2O_CH2DXCH2_coeff * C2O_C4H4& + HCCO_CH2DXCH2_coeff * HCCO_C4H4& + CH_CH2DXCH2_coeff * CH_C4H4& + CH2_CH2DXCH2_coeff * CH2_C4H4& ) / CH2DXCH2_denom2 CH2DXCH2_H2CC = ( 0.0_pr& + C2O_CH2DXCH2_coeff * C2O_H2CC& + HCCO_CH2DXCH2_coeff * HCCO_H2CC& + CH_CH2DXCH2_coeff * CH_H2CC& + CH2_CH2DXCH2_coeff * CH2_H2CC& ) / CH2DXCH2_denom2 CH2DXCH2_C2H = ( 0.0_pr& + C2O_CH2DXCH2_coeff * C2O_C2H& + HCCO_CH2DXCH2_coeff * HCCO_C2H& + CH_CH2DXCH2_coeff * CH_C2H& + CH2_CH2DXCH2_coeff * CH2_C2H& ) / CH2DXCH2_denom2 CH2DXCH2_C2H3 = ( 0.0_pr& + C2O_CH2DXCH2_coeff * C2O_C2H3& + HCCO_CH2DXCH2_coeff * HCCO_C2H3& + CH_CH2DXCH2_coeff * CH_C2H3& + CH2_CH2DXCH2_coeff * CH2_C2H3& ) / CH2DXCH2_denom2 CH2DXCH2_C4H2 = ( 0.0_pr& + C2O_CH2DXCH2_coeff * C2O_C4H2& + HCCO_CH2DXCH2_coeff * HCCO_C4H2& + CH_CH2DXCH2_coeff * CH_C4H2& + CH2_CH2DXCH2_coeff * CH2_C4H2& ) / CH2DXCH2_denom2 CH2DXCH2_H2C4O = ( 0.0_pr& + C2O_CH2DXCH2_coeff * C2O_H2C4O& + HCCO_CH2DXCH2_coeff * HCCO_H2C4O& + CH_CH2DXCH2_coeff * CH_H2C4O& + CH2_CH2DXCH2_coeff * CH2_H2C4O& ) / CH2DXCH2_denom2 CH2DXCH2_PXC3H4 = ( 0.0_pr& + C2O_CH2DXCH2_coeff * C2O_PXC3H4& + HCCO_CH2DXCH2_coeff * HCCO_PXC3H4& + CH_CH2DXCH2_coeff * CH_PXC3H4& + CH2_CH2DXCH2_coeff * CH2_PXC3H4& ) / CH2DXCH2_denom2 CH2DXCH2_CH2CHO = ( 0.0_pr& + C2O_CH2DXCH2_coeff * C2O_CH2CHO& + HCCO_CH2DXCH2_coeff * HCCO_CH2CHO& + CH_CH2DXCH2_coeff * CH_CH2CHO& + CH2_CH2DXCH2_coeff * CH2_CH2CHO& ) / CH2DXCH2_denom2 CH2DXCH2_AXC3H5_coeff = ( 0.0_pr& + k(r121f) * c(sC2H4)& + C2O_AXC3H5_coeff * C2O_CH2DXCH2& + HCCO_AXC3H5_coeff * HCCO_CH2DXCH2& + CH_AXC3H5_coeff * CH_CH2DXCH2& + CH2_AXC3H5_coeff * CH2_CH2DXCH2& ) CH2DXCH2_C3H3_coeff = ( 0.0_pr& + k(r91) * c(sC2H2)& + C2O_C3H3_coeff * C2O_CH2DXCH2& + HCCO_C3H3_coeff * HCCO_CH2DXCH2& + CH_C3H3_coeff * CH_CH2DXCH2& + CH2_C3H3_coeff * CH2_CH2DXCH2& ) CH2DXCH2_HCO_coeff = ( 0.0_pr& + C2O_HCO_coeff * C2O_CH2DXCH2& + HCCO_HCO_coeff * HCCO_CH2DXCH2& + CH_HCO_coeff * CH_CH2DXCH2& + CH2_HCO_coeff * CH2_CH2DXCH2& ) CH2DXCH2_C4H4_coeff = ( 0.0_pr& + C2O_C4H4_coeff * C2O_CH2DXCH2& + HCCO_C4H4_coeff * HCCO_CH2DXCH2& + CH_C4H4_coeff * CH_CH2DXCH2& + CH2_C4H4_coeff * CH2_CH2DXCH2& ) CH2DXCH2_H2CC_coeff = ( 0.0_pr& + k(r130) * c(sC2H4)& + C2O_H2CC_coeff * C2O_CH2DXCH2& + HCCO_H2CC_coeff * HCCO_CH2DXCH2& + CH_H2CC_coeff * CH_CH2DXCH2& + CH2_H2CC_coeff * CH2_CH2DXCH2& ) CH2DXCH2_C2H_coeff = ( 0.0_pr& + C2O_C2H_coeff * C2O_CH2DXCH2& + HCCO_C2H_coeff * HCCO_CH2DXCH2& + CH_C2H_coeff * CH_CH2DXCH2& + CH2_C2H_coeff * CH2_CH2DXCH2& ) CH2DXCH2_C2H3_coeff = ( 0.0_pr& + C2O_C2H3_coeff * C2O_CH2DXCH2& + HCCO_C2H3_coeff * HCCO_CH2DXCH2& + CH_C2H3_coeff * CH_CH2DXCH2& + CH2_C2H3_coeff * CH2_CH2DXCH2& ) CH2DXCH2_C4H2_coeff = ( 0.0_pr& + C2O_C4H2_coeff * C2O_CH2DXCH2& + HCCO_C4H2_coeff * HCCO_CH2DXCH2& + CH_C4H2_coeff * CH_CH2DXCH2& + CH2_C4H2_coeff * CH2_CH2DXCH2& ) CH2DXCH2_H2C4O_coeff = ( 0.0_pr& + C2O_H2C4O_coeff * C2O_CH2DXCH2& + HCCO_H2C4O_coeff * HCCO_CH2DXCH2& + CH_H2C4O_coeff * CH_CH2DXCH2& + CH2_H2C4O_coeff * CH2_CH2DXCH2& ) CH2DXCH2_PXC3H4_coeff = ( 0.0_pr& + C2O_PXC3H4_coeff * C2O_CH2DXCH2& + HCCO_PXC3H4_coeff * HCCO_CH2DXCH2& + CH_PXC3H4_coeff * CH_CH2DXCH2& + CH2_PXC3H4_coeff * CH2_CH2DXCH2& ) CH2DXCH2_CH2CHO_coeff = ( 0.0_pr& + C2O_CH2CHO_coeff * C2O_CH2DXCH2& + HCCO_CH2CHO_coeff * HCCO_CH2DXCH2& + CH_CH2CHO_coeff * CH_CH2DXCH2& + CH2_CH2CHO_coeff * CH2_CH2DXCH2& ) ! AXC3H5 --------------------------------------- AXC3H5_denom2 = TINY(1.0_pr) + ( AXC3H5_denom1& - C2O_AXC3H5_coeff * C2O_AXC3H5& - HCCO_AXC3H5_coeff * HCCO_AXC3H5& - CH_AXC3H5_coeff * CH_AXC3H5& - CH2_AXC3H5_coeff * CH2_AXC3H5& - CH2DXCH2_AXC3H5_coeff * CH2DXCH2_AXC3H5 ) AXC3H5_ct2 = ( AXC3H5_ct1& + C2O_AXC3H5_coeff * C2O_ct2& + HCCO_AXC3H5_coeff * HCCO_ct2& + CH_AXC3H5_coeff * CH_ct2& + CH2_AXC3H5_coeff * CH2_ct2& + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_ct2& ) / AXC3H5_denom2 AXC3H5_C3H3 = ( 0.0_pr& + C2O_AXC3H5_coeff * C2O_C3H3& + HCCO_AXC3H5_coeff * HCCO_C3H3& + CH_AXC3H5_coeff * CH_C3H3& + CH2_AXC3H5_coeff * CH2_C3H3& + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_C3H3& ) / AXC3H5_denom2 AXC3H5_HCO = ( 0.0_pr& + C2O_AXC3H5_coeff * C2O_HCO& + HCCO_AXC3H5_coeff * HCCO_HCO& + CH_AXC3H5_coeff * CH_HCO& + CH2_AXC3H5_coeff * CH2_HCO& + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_HCO& ) / AXC3H5_denom2 AXC3H5_C4H4 = ( 0.0_pr& + C2O_AXC3H5_coeff * C2O_C4H4& + HCCO_AXC3H5_coeff * HCCO_C4H4& + CH_AXC3H5_coeff * CH_C4H4& + CH2_AXC3H5_coeff * CH2_C4H4& + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_C4H4& ) / AXC3H5_denom2 AXC3H5_H2CC = ( 0.0_pr& + C2O_AXC3H5_coeff * C2O_H2CC& + HCCO_AXC3H5_coeff * HCCO_H2CC& + CH_AXC3H5_coeff * CH_H2CC& + CH2_AXC3H5_coeff * CH2_H2CC& + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_H2CC& ) / AXC3H5_denom2 AXC3H5_C2H = ( 0.0_pr& + C2O_AXC3H5_coeff * C2O_C2H& + HCCO_AXC3H5_coeff * HCCO_C2H& + CH_AXC3H5_coeff * CH_C2H& + CH2_AXC3H5_coeff * CH2_C2H& + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_C2H& ) / AXC3H5_denom2 AXC3H5_C2H3 = ( 0.0_pr& + k(r108f) * c(sCH3)& + C2O_AXC3H5_coeff * C2O_C2H3& + HCCO_AXC3H5_coeff * HCCO_C2H3& + CH_AXC3H5_coeff * CH_C2H3& + CH2_AXC3H5_coeff * CH2_C2H3& + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_C2H3& ) / AXC3H5_denom2 AXC3H5_C4H2 = ( 0.0_pr& + C2O_AXC3H5_coeff * C2O_C4H2& + HCCO_AXC3H5_coeff * HCCO_C4H2& + CH_AXC3H5_coeff * CH_C4H2& + CH2_AXC3H5_coeff * CH2_C4H2& + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_C4H2& ) / AXC3H5_denom2 AXC3H5_H2C4O = ( 0.0_pr& + C2O_AXC3H5_coeff * C2O_H2C4O& + HCCO_AXC3H5_coeff * HCCO_H2C4O& + CH_AXC3H5_coeff * CH_H2C4O& + CH2_AXC3H5_coeff * CH2_H2C4O& + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_H2C4O& ) / AXC3H5_denom2 AXC3H5_PXC3H4 = ( 0.0_pr& + C2O_AXC3H5_coeff * C2O_PXC3H4& + HCCO_AXC3H5_coeff * HCCO_PXC3H4& + CH_AXC3H5_coeff * CH_PXC3H4& + CH2_AXC3H5_coeff * CH2_PXC3H4& + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_PXC3H4& ) / AXC3H5_denom2 AXC3H5_CH2CHO = ( 0.0_pr& + C2O_AXC3H5_coeff * C2O_CH2CHO& + HCCO_AXC3H5_coeff * HCCO_CH2CHO& + CH_AXC3H5_coeff * CH_CH2CHO& + CH2_AXC3H5_coeff * CH2_CH2CHO& + CH2DXCH2_AXC3H5_coeff * CH2DXCH2_CH2CHO& ) / AXC3H5_denom2 AXC3H5_C3H3_coeff = ( 0.0_pr& + C2O_C3H3_coeff * C2O_AXC3H5& + HCCO_C3H3_coeff * HCCO_AXC3H5& + CH_C3H3_coeff * CH_AXC3H5& + CH2_C3H3_coeff * CH2_AXC3H5& + CH2DXCH2_C3H3_coeff * CH2DXCH2_AXC3H5& ) AXC3H5_HCO_coeff = ( 0.0_pr& + C2O_HCO_coeff * C2O_AXC3H5& + HCCO_HCO_coeff * HCCO_AXC3H5& + CH_HCO_coeff * CH_AXC3H5& + CH2_HCO_coeff * CH2_AXC3H5& + CH2DXCH2_HCO_coeff * CH2DXCH2_AXC3H5& ) AXC3H5_C4H4_coeff = ( 0.0_pr& + C2O_C4H4_coeff * C2O_AXC3H5& + HCCO_C4H4_coeff * HCCO_AXC3H5& + CH_C4H4_coeff * CH_AXC3H5& + CH2_C4H4_coeff * CH2_AXC3H5& + CH2DXCH2_C4H4_coeff * CH2DXCH2_AXC3H5& ) AXC3H5_H2CC_coeff = ( 0.0_pr& + C2O_H2CC_coeff * C2O_AXC3H5& + HCCO_H2CC_coeff * HCCO_AXC3H5& + CH_H2CC_coeff * CH_AXC3H5& + CH2_H2CC_coeff * CH2_AXC3H5& + CH2DXCH2_H2CC_coeff * CH2DXCH2_AXC3H5& ) AXC3H5_C2H_coeff = ( 0.0_pr& + C2O_C2H_coeff * C2O_AXC3H5& + HCCO_C2H_coeff * HCCO_AXC3H5& + CH_C2H_coeff * CH_AXC3H5& + CH2_C2H_coeff * CH2_AXC3H5& + CH2DXCH2_C2H_coeff * CH2DXCH2_AXC3H5& ) AXC3H5_C2H3_coeff = ( 0.0_pr& + k(r108b) * c(sH) + k(r188) * c(sCH3) + k(r192) * c(sHO2)& + C2O_C2H3_coeff * C2O_AXC3H5& + HCCO_C2H3_coeff * HCCO_AXC3H5& + CH_C2H3_coeff * CH_AXC3H5& + CH2_C2H3_coeff * CH2_AXC3H5& + CH2DXCH2_C2H3_coeff * CH2DXCH2_AXC3H5& ) AXC3H5_C4H2_coeff = ( 0.0_pr& + C2O_C4H2_coeff * C2O_AXC3H5& + HCCO_C4H2_coeff * HCCO_AXC3H5& + CH_C4H2_coeff * CH_AXC3H5& + CH2_C4H2_coeff * CH2_AXC3H5& + CH2DXCH2_C4H2_coeff * CH2DXCH2_AXC3H5& ) AXC3H5_H2C4O_coeff = ( 0.0_pr& + C2O_H2C4O_coeff * C2O_AXC3H5& + HCCO_H2C4O_coeff * HCCO_AXC3H5& + CH_H2C4O_coeff * CH_AXC3H5& + CH2_H2C4O_coeff * CH2_AXC3H5& + CH2DXCH2_H2C4O_coeff * CH2DXCH2_AXC3H5& ) AXC3H5_PXC3H4_coeff = ( 0.0_pr& + C2O_PXC3H4_coeff * C2O_AXC3H5& + HCCO_PXC3H4_coeff * HCCO_AXC3H5& + CH_PXC3H4_coeff * CH_AXC3H5& + CH2_PXC3H4_coeff * CH2_AXC3H5& + CH2DXCH2_PXC3H4_coeff * CH2DXCH2_AXC3H5& ) AXC3H5_CH2CHO_coeff = ( 0.0_pr& + C2O_CH2CHO_coeff * C2O_AXC3H5& + HCCO_CH2CHO_coeff * HCCO_AXC3H5& + CH_CH2CHO_coeff * CH_AXC3H5& + CH2_CH2CHO_coeff * CH2_AXC3H5& + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_AXC3H5& ) ! C3H3 --------------------------------------- C3H3_denom2 = TINY(1.0_pr) + ( C3H3_denom1& - C2O_C3H3_coeff * C2O_C3H3& - HCCO_C3H3_coeff * HCCO_C3H3& - CH_C3H3_coeff * CH_C3H3& - CH2_C3H3_coeff * CH2_C3H3& - CH2DXCH2_C3H3_coeff * CH2DXCH2_C3H3& - AXC3H5_C3H3_coeff * AXC3H5_C3H3 ) C3H3_ct2 = ( C3H3_ct1& + C2O_C3H3_coeff * C2O_ct2& + HCCO_C3H3_coeff * HCCO_ct2& + CH_C3H3_coeff * CH_ct2& + CH2_C3H3_coeff * CH2_ct2& + CH2DXCH2_C3H3_coeff * CH2DXCH2_ct2& + AXC3H5_C3H3_coeff * AXC3H5_ct2& ) / C3H3_denom2 C3H3_HCO = ( 0.0_pr& + C2O_C3H3_coeff * C2O_HCO& + HCCO_C3H3_coeff * HCCO_HCO& + CH_C3H3_coeff * CH_HCO& + CH2_C3H3_coeff * CH2_HCO& + CH2DXCH2_C3H3_coeff * CH2DXCH2_HCO& + AXC3H5_C3H3_coeff * AXC3H5_HCO& ) / C3H3_denom2 C3H3_C4H4 = ( 0.0_pr& + k(r213) * c(sO)& + C2O_C3H3_coeff * C2O_C4H4& + HCCO_C3H3_coeff * HCCO_C4H4& + CH_C3H3_coeff * CH_C4H4& + CH2_C3H3_coeff * CH2_C4H4& + CH2DXCH2_C3H3_coeff * CH2DXCH2_C4H4& + AXC3H5_C3H3_coeff * AXC3H5_C4H4& ) / C3H3_denom2 C3H3_H2CC = ( 0.0_pr& + C2O_C3H3_coeff * C2O_H2CC& + HCCO_C3H3_coeff * HCCO_H2CC& + CH_C3H3_coeff * CH_H2CC& + CH2_C3H3_coeff * CH2_H2CC& + CH2DXCH2_C3H3_coeff * CH2DXCH2_H2CC& + AXC3H5_C3H3_coeff * AXC3H5_H2CC& ) / C3H3_denom2 C3H3_C2H = ( 0.0_pr& + C2O_C3H3_coeff * C2O_C2H& + HCCO_C3H3_coeff * HCCO_C2H& + CH_C3H3_coeff * CH_C2H& + CH2_C3H3_coeff * CH2_C2H& + CH2DXCH2_C3H3_coeff * CH2DXCH2_C2H& + AXC3H5_C3H3_coeff * AXC3H5_C2H& ) / C3H3_denom2 C3H3_C2H3 = ( 0.0_pr& + C2O_C3H3_coeff * C2O_C2H3& + HCCO_C3H3_coeff * HCCO_C2H3& + CH_C3H3_coeff * CH_C2H3& + CH2_C3H3_coeff * CH2_C2H3& + CH2DXCH2_C3H3_coeff * CH2DXCH2_C2H3& + AXC3H5_C3H3_coeff * AXC3H5_C2H3& ) / C3H3_denom2 C3H3_C4H2 = ( 0.0_pr& + C2O_C3H3_coeff * C2O_C4H2& + HCCO_C3H3_coeff * HCCO_C4H2& + CH_C3H3_coeff * CH_C4H2& + CH2_C3H3_coeff * CH2_C4H2& + CH2DXCH2_C3H3_coeff * CH2DXCH2_C4H2& + AXC3H5_C3H3_coeff * AXC3H5_C4H2& ) / C3H3_denom2 C3H3_H2C4O = ( 0.0_pr& + C2O_C3H3_coeff * C2O_H2C4O& + HCCO_C3H3_coeff * HCCO_H2C4O& + CH_C3H3_coeff * CH_H2C4O& + CH2_C3H3_coeff * CH2_H2C4O& + CH2DXCH2_C3H3_coeff * CH2DXCH2_H2C4O& + AXC3H5_C3H3_coeff * AXC3H5_H2C4O& ) / C3H3_denom2 C3H3_PXC3H4 = ( 0.0_pr& + k(r169b) + k(r177) * c(sOH)+ k(r179) * c(sH)+ k(r180) * c(sCH3)& + C2O_C3H3_coeff * C2O_PXC3H4& + HCCO_C3H3_coeff * HCCO_PXC3H4& + CH_C3H3_coeff * CH_PXC3H4& + CH2_C3H3_coeff * CH2_PXC3H4& + CH2DXCH2_C3H3_coeff * CH2DXCH2_PXC3H4& + AXC3H5_C3H3_coeff * AXC3H5_PXC3H4& ) / C3H3_denom2 C3H3_CH2CHO = ( 0.0_pr& + C2O_C3H3_coeff * C2O_CH2CHO& + HCCO_C3H3_coeff * HCCO_CH2CHO& + CH_C3H3_coeff * CH_CH2CHO& + CH2_C3H3_coeff * CH2_CH2CHO& + CH2DXCH2_C3H3_coeff * CH2DXCH2_CH2CHO& + AXC3H5_C3H3_coeff * AXC3H5_CH2CHO& ) / C3H3_denom2 C3H3_HCO_coeff = ( 0.0_pr& + k(r173) * c(sO2)& + C2O_HCO_coeff * C2O_C3H3& + HCCO_HCO_coeff * HCCO_C3H3& + CH_HCO_coeff * CH_C3H3& + CH2_HCO_coeff * CH2_C3H3& + CH2DXCH2_HCO_coeff * CH2DXCH2_C3H3& + AXC3H5_HCO_coeff * AXC3H5_C3H3& ) C3H3_C4H4_coeff = ( 0.0_pr& + C2O_C4H4_coeff * C2O_C3H3& + HCCO_C4H4_coeff * HCCO_C3H3& + CH_C4H4_coeff * CH_C3H3& + CH2_C4H4_coeff * CH2_C3H3& + CH2DXCH2_C4H4_coeff * CH2DXCH2_C3H3& + AXC3H5_C4H4_coeff * AXC3H5_C3H3& ) C3H3_H2CC_coeff = ( 0.0_pr& + C2O_H2CC_coeff * C2O_C3H3& + HCCO_H2CC_coeff * HCCO_C3H3& + CH_H2CC_coeff * CH_C3H3& + CH2_H2CC_coeff * CH2_C3H3& + CH2DXCH2_H2CC_coeff * CH2DXCH2_C3H3& + AXC3H5_H2CC_coeff * AXC3H5_C3H3& ) C3H3_C2H_coeff = ( 0.0_pr& + k(r175) * c(sO)& + C2O_C2H_coeff * C2O_C3H3& + HCCO_C2H_coeff * HCCO_C3H3& + CH_C2H_coeff * CH_C3H3& + CH2_C2H_coeff * CH2_C3H3& + CH2DXCH2_C2H_coeff * CH2DXCH2_C3H3& + AXC3H5_C2H_coeff * AXC3H5_C3H3& ) C3H3_C2H3_coeff = ( 0.0_pr& + k(r172) * c(sHO2)& + C2O_C2H3_coeff * C2O_C3H3& + HCCO_C2H3_coeff * HCCO_C3H3& + CH_C2H3_coeff * CH_C3H3& + CH2_C2H3_coeff * CH2_C3H3& + CH2DXCH2_C2H3_coeff * CH2DXCH2_C3H3& + AXC3H5_C2H3_coeff * AXC3H5_C3H3& ) C3H3_C4H2_coeff = ( 0.0_pr& + C2O_C4H2_coeff * C2O_C3H3& + HCCO_C4H2_coeff * HCCO_C3H3& + CH_C4H2_coeff * CH_C3H3& + CH2_C4H2_coeff * CH2_C3H3& + CH2DXCH2_C4H2_coeff * CH2DXCH2_C3H3& + AXC3H5_C4H2_coeff * AXC3H5_C3H3& ) C3H3_H2C4O_coeff = ( 0.0_pr& + C2O_H2C4O_coeff * C2O_C3H3& + HCCO_H2C4O_coeff * HCCO_C3H3& + CH_H2C4O_coeff * CH_C3H3& + CH2_H2C4O_coeff * CH2_C3H3& + CH2DXCH2_H2C4O_coeff * CH2DXCH2_C3H3& + AXC3H5_H2C4O_coeff * AXC3H5_C3H3& ) C3H3_PXC3H4_coeff = ( 0.0_pr& + k(r169f) * c(sH)+ k(r174) * c(sHO2)& + C2O_PXC3H4_coeff * C2O_C3H3& + HCCO_PXC3H4_coeff * HCCO_C3H3& + CH_PXC3H4_coeff * CH_C3H3& + CH2_PXC3H4_coeff * CH2_C3H3& + CH2DXCH2_PXC3H4_coeff * CH2DXCH2_C3H3& + AXC3H5_PXC3H4_coeff * AXC3H5_C3H3& ) C3H3_CH2CHO_coeff = ( 0.0_pr& + C2O_CH2CHO_coeff * C2O_C3H3& + HCCO_CH2CHO_coeff * HCCO_C3H3& + CH_CH2CHO_coeff * CH_C3H3& + CH2_CH2CHO_coeff * CH2_C3H3& + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_C3H3& + AXC3H5_CH2CHO_coeff * AXC3H5_C3H3& ) ! HCO --------------------------------------- HCO_denom2 = TINY(1.0_pr) + ( HCO_denom1& - C2O_HCO_coeff * C2O_HCO& - HCCO_HCO_coeff * HCCO_HCO& - CH_HCO_coeff * CH_HCO& - CH2_HCO_coeff * CH2_HCO& - CH2DXCH2_HCO_coeff * CH2DXCH2_HCO& - AXC3H5_HCO_coeff * AXC3H5_HCO& - C3H3_HCO_coeff * C3H3_HCO ) HCO_ct2 = ( HCO_ct1& + C2O_HCO_coeff * C2O_ct2& + HCCO_HCO_coeff * HCCO_ct2& + CH_HCO_coeff * CH_ct2& + CH2_HCO_coeff * CH2_ct2& + CH2DXCH2_HCO_coeff * CH2DXCH2_ct2& + AXC3H5_HCO_coeff * AXC3H5_ct2& + C3H3_HCO_coeff * C3H3_ct2& ) / HCO_denom2 HCO_C4H4 = ( 0.0_pr& + k(r213) * c(sO)& + C2O_HCO_coeff * C2O_C4H4& + HCCO_HCO_coeff * HCCO_C4H4& + CH_HCO_coeff * CH_C4H4& + CH2_HCO_coeff * CH2_C4H4& + CH2DXCH2_HCO_coeff * CH2DXCH2_C4H4& + AXC3H5_HCO_coeff * AXC3H5_C4H4& + C3H3_HCO_coeff * C3H3_C4H4& ) / HCO_denom2 HCO_H2CC = ( 0.0_pr& + k(r104) * 2.0 * c(sO2)& + C2O_HCO_coeff * C2O_H2CC& + HCCO_HCO_coeff * HCCO_H2CC& + CH_HCO_coeff * CH_H2CC& + CH2_HCO_coeff * CH2_H2CC& + CH2DXCH2_HCO_coeff * CH2DXCH2_H2CC& + AXC3H5_HCO_coeff * AXC3H5_H2CC& + C3H3_HCO_coeff * C3H3_H2CC& ) / HCO_denom2 HCO_C2H = ( 0.0_pr& + k(r86) * c(sO2)& + C2O_HCO_coeff * C2O_C2H& + HCCO_HCO_coeff * HCCO_C2H& + CH_HCO_coeff * CH_C2H& + CH2_HCO_coeff * CH2_C2H& + CH2DXCH2_HCO_coeff * CH2DXCH2_C2H& + AXC3H5_HCO_coeff * AXC3H5_C2H& + C3H3_HCO_coeff * C3H3_C2H& ) / HCO_denom2 HCO_C2H3 = ( 0.0_pr& + k(r109) * c(sO2)& + C2O_HCO_coeff * C2O_C2H3& + HCCO_HCO_coeff * HCCO_C2H3& + CH_HCO_coeff * CH_C2H3& + CH2_HCO_coeff * CH2_C2H3& + CH2DXCH2_HCO_coeff * CH2DXCH2_C2H3& + AXC3H5_HCO_coeff * AXC3H5_C2H3& + C3H3_HCO_coeff * C3H3_C2H3& ) / HCO_denom2 HCO_C4H2 = ( 0.0_pr& + C2O_HCO_coeff * C2O_C4H2& + HCCO_HCO_coeff * HCCO_C4H2& + CH_HCO_coeff * CH_C4H2& + CH2_HCO_coeff * CH2_C4H2& + CH2DXCH2_HCO_coeff * CH2DXCH2_C4H2& + AXC3H5_HCO_coeff * AXC3H5_C4H2& + C3H3_HCO_coeff * C3H3_C4H2& ) / HCO_denom2 HCO_H2C4O = ( 0.0_pr& + C2O_HCO_coeff * C2O_H2C4O& + HCCO_HCO_coeff * HCCO_H2C4O& + CH_HCO_coeff * CH_H2C4O& + CH2_HCO_coeff * CH2_H2C4O& + CH2DXCH2_HCO_coeff * CH2DXCH2_H2C4O& + AXC3H5_HCO_coeff * AXC3H5_H2C4O& + C3H3_HCO_coeff * C3H3_H2C4O& ) / HCO_denom2 HCO_PXC3H4 = ( 0.0_pr& + C2O_HCO_coeff * C2O_PXC3H4& + HCCO_HCO_coeff * HCCO_PXC3H4& + CH_HCO_coeff * CH_PXC3H4& + CH2_HCO_coeff * CH2_PXC3H4& + CH2DXCH2_HCO_coeff * CH2DXCH2_PXC3H4& + AXC3H5_HCO_coeff * AXC3H5_PXC3H4& + C3H3_HCO_coeff * C3H3_PXC3H4& ) / HCO_denom2 HCO_CH2CHO = ( 0.0_pr& + k(r166) * c(sH)& + C2O_HCO_coeff * C2O_CH2CHO& + HCCO_HCO_coeff * HCCO_CH2CHO& + CH_HCO_coeff * CH_CH2CHO& + CH2_HCO_coeff * CH2_CH2CHO& + CH2DXCH2_HCO_coeff * CH2DXCH2_CH2CHO& + AXC3H5_HCO_coeff * AXC3H5_CH2CHO& + C3H3_HCO_coeff * C3H3_CH2CHO& ) / HCO_denom2 HCO_C4H4_coeff = ( 0.0_pr& + C2O_C4H4_coeff * C2O_HCO& + HCCO_C4H4_coeff * HCCO_HCO& + CH_C4H4_coeff * CH_HCO& + CH2_C4H4_coeff * CH2_HCO& + CH2DXCH2_C4H4_coeff * CH2DXCH2_HCO& + AXC3H5_C4H4_coeff * AXC3H5_HCO& + C3H3_C4H4_coeff * C3H3_HCO& ) HCO_H2CC_coeff = ( 0.0_pr& + C2O_H2CC_coeff * C2O_HCO& + HCCO_H2CC_coeff * HCCO_HCO& + CH_H2CC_coeff * CH_HCO& + CH2_H2CC_coeff * CH2_HCO& + CH2DXCH2_H2CC_coeff * CH2DXCH2_HCO& + AXC3H5_H2CC_coeff * AXC3H5_HCO& + C3H3_H2CC_coeff * C3H3_HCO& ) HCO_C2H_coeff = ( 0.0_pr& + C2O_C2H_coeff * C2O_HCO& + HCCO_C2H_coeff * HCCO_HCO& + CH_C2H_coeff * CH_HCO& + CH2_C2H_coeff * CH2_HCO& + CH2DXCH2_C2H_coeff * CH2DXCH2_HCO& + AXC3H5_C2H_coeff * AXC3H5_HCO& + C3H3_C2H_coeff * C3H3_HCO& ) HCO_C2H3_coeff = ( 0.0_pr& + k(r93) * c(sC2H2)& + C2O_C2H3_coeff * C2O_HCO& + HCCO_C2H3_coeff * HCCO_HCO& + CH_C2H3_coeff * CH_HCO& + CH2_C2H3_coeff * CH2_HCO& + CH2DXCH2_C2H3_coeff * CH2DXCH2_HCO& + AXC3H5_C2H3_coeff * AXC3H5_HCO& + C3H3_C2H3_coeff * C3H3_HCO& ) HCO_C4H2_coeff = ( 0.0_pr& + C2O_C4H2_coeff * C2O_HCO& + HCCO_C4H2_coeff * HCCO_HCO& + CH_C4H2_coeff * CH_HCO& + CH2_C4H2_coeff * CH2_HCO& + CH2DXCH2_C4H2_coeff * CH2DXCH2_HCO& + AXC3H5_C4H2_coeff * AXC3H5_HCO& + C3H3_C4H2_coeff * C3H3_HCO& ) HCO_H2C4O_coeff = ( 0.0_pr& + C2O_H2C4O_coeff * C2O_HCO& + HCCO_H2C4O_coeff * HCCO_HCO& + CH_H2C4O_coeff * CH_HCO& + CH2_H2C4O_coeff * CH2_HCO& + CH2DXCH2_H2C4O_coeff * CH2DXCH2_HCO& + AXC3H5_H2C4O_coeff * AXC3H5_HCO& + C3H3_H2C4O_coeff * C3H3_HCO& ) HCO_PXC3H4_coeff = ( 0.0_pr& + C2O_PXC3H4_coeff * C2O_HCO& + HCCO_PXC3H4_coeff * HCCO_HCO& + CH_PXC3H4_coeff * CH_HCO& + CH2_PXC3H4_coeff * CH2_HCO& + CH2DXCH2_PXC3H4_coeff * CH2DXCH2_HCO& + AXC3H5_PXC3H4_coeff * AXC3H5_HCO& + C3H3_PXC3H4_coeff * C3H3_HCO& ) HCO_CH2CHO_coeff = ( 0.0_pr& + C2O_CH2CHO_coeff * C2O_HCO& + HCCO_CH2CHO_coeff * HCCO_HCO& + CH_CH2CHO_coeff * CH_HCO& + CH2_CH2CHO_coeff * CH2_HCO& + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_HCO& + AXC3H5_CH2CHO_coeff * AXC3H5_HCO& + C3H3_CH2CHO_coeff * C3H3_HCO& ) ! C4H4 --------------------------------------- C4H4_denom2 = TINY(1.0_pr) + ( C4H4_denom1& - C2O_C4H4_coeff * C2O_C4H4& - HCCO_C4H4_coeff * HCCO_C4H4& - CH_C4H4_coeff * CH_C4H4& - CH2_C4H4_coeff * CH2_C4H4& - CH2DXCH2_C4H4_coeff * CH2DXCH2_C4H4& - AXC3H5_C4H4_coeff * AXC3H5_C4H4& - C3H3_C4H4_coeff * C3H3_C4H4& - HCO_C4H4_coeff * HCO_C4H4 ) C4H4_ct2 = ( C4H4_ct1& + C2O_C4H4_coeff * C2O_ct2& + HCCO_C4H4_coeff * HCCO_ct2& + CH_C4H4_coeff * CH_ct2& + CH2_C4H4_coeff * CH2_ct2& + CH2DXCH2_C4H4_coeff * CH2DXCH2_ct2& + AXC3H5_C4H4_coeff * AXC3H5_ct2& + C3H3_C4H4_coeff * C3H3_ct2& + HCO_C4H4_coeff * HCO_ct2& ) / C4H4_denom2 C4H4_H2CC = ( 0.0_pr& + k(r100f) * c(sC2H2)& + C2O_C4H4_coeff * C2O_H2CC& + HCCO_C4H4_coeff * HCCO_H2CC& + CH_C4H4_coeff * CH_H2CC& + CH2_C4H4_coeff * CH2_H2CC& + CH2DXCH2_C4H4_coeff * CH2DXCH2_H2CC& + AXC3H5_C4H4_coeff * AXC3H5_H2CC& + C3H3_C4H4_coeff * C3H3_H2CC& + HCO_C4H4_coeff * HCO_H2CC& ) / C4H4_denom2 C4H4_C2H = ( 0.0_pr& + k(r134) * c(sC2H4)& + C2O_C4H4_coeff * C2O_C2H& + HCCO_C4H4_coeff * HCCO_C2H& + CH_C4H4_coeff * CH_C2H& + CH2_C4H4_coeff * CH2_C2H& + CH2DXCH2_C4H4_coeff * CH2DXCH2_C2H& + AXC3H5_C4H4_coeff * AXC3H5_C2H& + C3H3_C4H4_coeff * C3H3_C2H& + HCO_C4H4_coeff * HCO_C2H& ) / C4H4_denom2 C4H4_C2H3 = ( 0.0_pr& + k(r112f) * c(sC2H2)& + C2O_C4H4_coeff * C2O_C2H3& + HCCO_C4H4_coeff * HCCO_C2H3& + CH_C4H4_coeff * CH_C2H3& + CH2_C4H4_coeff * CH2_C2H3& + CH2DXCH2_C4H4_coeff * CH2DXCH2_C2H3& + AXC3H5_C4H4_coeff * AXC3H5_C2H3& + C3H3_C4H4_coeff * C3H3_C2H3& + HCO_C4H4_coeff * HCO_C2H3& ) / C4H4_denom2 C4H4_C4H2 = ( 0.0_pr& + C2O_C4H4_coeff * C2O_C4H2& + HCCO_C4H4_coeff * HCCO_C4H2& + CH_C4H4_coeff * CH_C4H2& + CH2_C4H4_coeff * CH2_C4H2& + CH2DXCH2_C4H4_coeff * CH2DXCH2_C4H2& + AXC3H5_C4H4_coeff * AXC3H5_C4H2& + C3H3_C4H4_coeff * C3H3_C4H2& + HCO_C4H4_coeff * HCO_C4H2& ) / C4H4_denom2 C4H4_H2C4O = ( 0.0_pr& + C2O_C4H4_coeff * C2O_H2C4O& + HCCO_C4H4_coeff * HCCO_H2C4O& + CH_C4H4_coeff * CH_H2C4O& + CH2_C4H4_coeff * CH2_H2C4O& + CH2DXCH2_C4H4_coeff * CH2DXCH2_H2C4O& + AXC3H5_C4H4_coeff * AXC3H5_H2C4O& + C3H3_C4H4_coeff * C3H3_H2C4O& + HCO_C4H4_coeff * HCO_H2C4O& ) / C4H4_denom2 C4H4_PXC3H4 = ( 0.0_pr& + C2O_C4H4_coeff * C2O_PXC3H4& + HCCO_C4H4_coeff * HCCO_PXC3H4& + CH_C4H4_coeff * CH_PXC3H4& + CH2_C4H4_coeff * CH2_PXC3H4& + CH2DXCH2_C4H4_coeff * CH2DXCH2_PXC3H4& + AXC3H5_C4H4_coeff * AXC3H5_PXC3H4& + C3H3_C4H4_coeff * C3H3_PXC3H4& + HCO_C4H4_coeff * HCO_PXC3H4& ) / C4H4_denom2 C4H4_CH2CHO = ( 0.0_pr& + C2O_C4H4_coeff * C2O_CH2CHO& + HCCO_C4H4_coeff * HCCO_CH2CHO& + CH_C4H4_coeff * CH_CH2CHO& + CH2_C4H4_coeff * CH2_CH2CHO& + CH2DXCH2_C4H4_coeff * CH2DXCH2_CH2CHO& + AXC3H5_C4H4_coeff * AXC3H5_CH2CHO& + C3H3_C4H4_coeff * C3H3_CH2CHO& + HCO_C4H4_coeff * HCO_CH2CHO& ) / C4H4_denom2 C4H4_H2CC_coeff = ( 0.0_pr& + k(r100b)& + C2O_H2CC_coeff * C2O_C4H4& + HCCO_H2CC_coeff * HCCO_C4H4& + CH_H2CC_coeff * CH_C4H4& + CH2_H2CC_coeff * CH2_C4H4& + CH2DXCH2_H2CC_coeff * CH2DXCH2_C4H4& + AXC3H5_H2CC_coeff * AXC3H5_C4H4& + C3H3_H2CC_coeff * C3H3_C4H4& + HCO_H2CC_coeff * HCO_C4H4& ) C4H4_C2H_coeff = ( 0.0_pr& + C2O_C2H_coeff * C2O_C4H4& + HCCO_C2H_coeff * HCCO_C4H4& + CH_C2H_coeff * CH_C4H4& + CH2_C2H_coeff * CH2_C4H4& + CH2DXCH2_C2H_coeff * CH2DXCH2_C4H4& + AXC3H5_C2H_coeff * AXC3H5_C4H4& + C3H3_C2H_coeff * C3H3_C4H4& + HCO_C2H_coeff * HCO_C4H4& ) C4H4_C2H3_coeff = ( 0.0_pr& + k(r112b) * c(sH)& + C2O_C2H3_coeff * C2O_C4H4& + HCCO_C2H3_coeff * HCCO_C4H4& + CH_C2H3_coeff * CH_C4H4& + CH2_C2H3_coeff * CH2_C4H4& + CH2DXCH2_C2H3_coeff * CH2DXCH2_C4H4& + AXC3H5_C2H3_coeff * AXC3H5_C4H4& + C3H3_C2H3_coeff * C3H3_C4H4& + HCO_C2H3_coeff * HCO_C4H4& ) C4H4_C4H2_coeff = ( 0.0_pr& + C2O_C4H2_coeff * C2O_C4H4& + HCCO_C4H2_coeff * HCCO_C4H4& + CH_C4H2_coeff * CH_C4H4& + CH2_C4H2_coeff * CH2_C4H4& + CH2DXCH2_C4H2_coeff * CH2DXCH2_C4H4& + AXC3H5_C4H2_coeff * AXC3H5_C4H4& + C3H3_C4H2_coeff * C3H3_C4H4& + HCO_C4H2_coeff * HCO_C4H4& ) C4H4_H2C4O_coeff = ( 0.0_pr& + C2O_H2C4O_coeff * C2O_C4H4& + HCCO_H2C4O_coeff * HCCO_C4H4& + CH_H2C4O_coeff * CH_C4H4& + CH2_H2C4O_coeff * CH2_C4H4& + CH2DXCH2_H2C4O_coeff * CH2DXCH2_C4H4& + AXC3H5_H2C4O_coeff * AXC3H5_C4H4& + C3H3_H2C4O_coeff * C3H3_C4H4& + HCO_H2C4O_coeff * HCO_C4H4& ) C4H4_PXC3H4_coeff = ( 0.0_pr& + C2O_PXC3H4_coeff * C2O_C4H4& + HCCO_PXC3H4_coeff * HCCO_C4H4& + CH_PXC3H4_coeff * CH_C4H4& + CH2_PXC3H4_coeff * CH2_C4H4& + CH2DXCH2_PXC3H4_coeff * CH2DXCH2_C4H4& + AXC3H5_PXC3H4_coeff * AXC3H5_C4H4& + C3H3_PXC3H4_coeff * C3H3_C4H4& + HCO_PXC3H4_coeff * HCO_C4H4& ) C4H4_CH2CHO_coeff = ( 0.0_pr& + C2O_CH2CHO_coeff * C2O_C4H4& + HCCO_CH2CHO_coeff * HCCO_C4H4& + CH_CH2CHO_coeff * CH_C4H4& + CH2_CH2CHO_coeff * CH2_C4H4& + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_C4H4& + AXC3H5_CH2CHO_coeff * AXC3H5_C4H4& + C3H3_CH2CHO_coeff * C3H3_C4H4& + HCO_CH2CHO_coeff * HCO_C4H4& ) ! H2CC --------------------------------------- H2CC_denom2 = TINY(1.0_pr) + ( H2CC_denom1& - C2O_H2CC_coeff * C2O_H2CC& - HCCO_H2CC_coeff * HCCO_H2CC& - CH_H2CC_coeff * CH_H2CC& - CH2_H2CC_coeff * CH2_H2CC& - CH2DXCH2_H2CC_coeff * CH2DXCH2_H2CC& - AXC3H5_H2CC_coeff * AXC3H5_H2CC& - C3H3_H2CC_coeff * C3H3_H2CC& - HCO_H2CC_coeff * HCO_H2CC& - C4H4_H2CC_coeff * C4H4_H2CC ) H2CC_ct2 = ( H2CC_ct1& + C2O_H2CC_coeff * C2O_ct2& + HCCO_H2CC_coeff * HCCO_ct2& + CH_H2CC_coeff * CH_ct2& + CH2_H2CC_coeff * CH2_ct2& + CH2DXCH2_H2CC_coeff * CH2DXCH2_ct2& + AXC3H5_H2CC_coeff * AXC3H5_ct2& + C3H3_H2CC_coeff * C3H3_ct2& + HCO_H2CC_coeff * HCO_ct2& + C4H4_H2CC_coeff * C4H4_ct2& ) / H2CC_denom2 H2CC_C2H = ( 0.0_pr& + C2O_H2CC_coeff * C2O_C2H& + HCCO_H2CC_coeff * HCCO_C2H& + CH_H2CC_coeff * CH_C2H& + CH2_H2CC_coeff * CH2_C2H& + CH2DXCH2_H2CC_coeff * CH2DXCH2_C2H& + AXC3H5_H2CC_coeff * AXC3H5_C2H& + C3H3_H2CC_coeff * C3H3_C2H& + HCO_H2CC_coeff * HCO_C2H& + C4H4_H2CC_coeff * C4H4_C2H& ) / H2CC_denom2 H2CC_C2H3 = ( 0.0_pr& + k(r114) * c(sH)& + C2O_H2CC_coeff * C2O_C2H3& + HCCO_H2CC_coeff * HCCO_C2H3& + CH_H2CC_coeff * CH_C2H3& + CH2_H2CC_coeff * CH2_C2H3& + CH2DXCH2_H2CC_coeff * CH2DXCH2_C2H3& + AXC3H5_H2CC_coeff * AXC3H5_C2H3& + C3H3_H2CC_coeff * C3H3_C2H3& + HCO_H2CC_coeff * HCO_C2H3& + C4H4_H2CC_coeff * C4H4_C2H3& ) / H2CC_denom2 H2CC_C4H2 = ( 0.0_pr& + C2O_H2CC_coeff * C2O_C4H2& + HCCO_H2CC_coeff * HCCO_C4H2& + CH_H2CC_coeff * CH_C4H2& + CH2_H2CC_coeff * CH2_C4H2& + CH2DXCH2_H2CC_coeff * CH2DXCH2_C4H2& + AXC3H5_H2CC_coeff * AXC3H5_C4H2& + C3H3_H2CC_coeff * C3H3_C4H2& + HCO_H2CC_coeff * HCO_C4H2& + C4H4_H2CC_coeff * C4H4_C4H2& ) / H2CC_denom2 H2CC_H2C4O = ( 0.0_pr& + C2O_H2CC_coeff * C2O_H2C4O& + HCCO_H2CC_coeff * HCCO_H2C4O& + CH_H2CC_coeff * CH_H2C4O& + CH2_H2CC_coeff * CH2_H2C4O& + CH2DXCH2_H2CC_coeff * CH2DXCH2_H2C4O& + AXC3H5_H2CC_coeff * AXC3H5_H2C4O& + C3H3_H2CC_coeff * C3H3_H2C4O& + HCO_H2CC_coeff * HCO_H2C4O& + C4H4_H2CC_coeff * C4H4_H2C4O& ) / H2CC_denom2 H2CC_PXC3H4 = ( 0.0_pr& + C2O_H2CC_coeff * C2O_PXC3H4& + HCCO_H2CC_coeff * HCCO_PXC3H4& + CH_H2CC_coeff * CH_PXC3H4& + CH2_H2CC_coeff * CH2_PXC3H4& + CH2DXCH2_H2CC_coeff * CH2DXCH2_PXC3H4& + AXC3H5_H2CC_coeff * AXC3H5_PXC3H4& + C3H3_H2CC_coeff * C3H3_PXC3H4& + HCO_H2CC_coeff * HCO_PXC3H4& + C4H4_H2CC_coeff * C4H4_PXC3H4& ) / H2CC_denom2 H2CC_CH2CHO = ( 0.0_pr& + C2O_H2CC_coeff * C2O_CH2CHO& + HCCO_H2CC_coeff * HCCO_CH2CHO& + CH_H2CC_coeff * CH_CH2CHO& + CH2_H2CC_coeff * CH2_CH2CHO& + CH2DXCH2_H2CC_coeff * CH2DXCH2_CH2CHO& + AXC3H5_H2CC_coeff * AXC3H5_CH2CHO& + C3H3_H2CC_coeff * C3H3_CH2CHO& + HCO_H2CC_coeff * HCO_CH2CHO& + C4H4_H2CC_coeff * C4H4_CH2CHO& ) / H2CC_denom2 H2CC_C2H_coeff = ( 0.0_pr& + C2O_C2H_coeff * C2O_H2CC& + HCCO_C2H_coeff * HCCO_H2CC& + CH_C2H_coeff * CH_H2CC& + CH2_C2H_coeff * CH2_H2CC& + CH2DXCH2_C2H_coeff * CH2DXCH2_H2CC& + AXC3H5_C2H_coeff * AXC3H5_H2CC& + C3H3_C2H_coeff * C3H3_H2CC& + HCO_C2H_coeff * HCO_H2CC& + C4H4_C2H_coeff * C4H4_H2CC& ) H2CC_C2H3_coeff = ( 0.0_pr& + C2O_C2H3_coeff * C2O_H2CC& + HCCO_C2H3_coeff * HCCO_H2CC& + CH_C2H3_coeff * CH_H2CC& + CH2_C2H3_coeff * CH2_H2CC& + CH2DXCH2_C2H3_coeff * CH2DXCH2_H2CC& + AXC3H5_C2H3_coeff * AXC3H5_H2CC& + C3H3_C2H3_coeff * C3H3_H2CC& + HCO_C2H3_coeff * HCO_H2CC& + C4H4_C2H3_coeff * C4H4_H2CC& ) H2CC_C4H2_coeff = ( 0.0_pr& + C2O_C4H2_coeff * C2O_H2CC& + HCCO_C4H2_coeff * HCCO_H2CC& + CH_C4H2_coeff * CH_H2CC& + CH2_C4H2_coeff * CH2_H2CC& + CH2DXCH2_C4H2_coeff * CH2DXCH2_H2CC& + AXC3H5_C4H2_coeff * AXC3H5_H2CC& + C3H3_C4H2_coeff * C3H3_H2CC& + HCO_C4H2_coeff * HCO_H2CC& + C4H4_C4H2_coeff * C4H4_H2CC& ) H2CC_H2C4O_coeff = ( 0.0_pr& + C2O_H2C4O_coeff * C2O_H2CC& + HCCO_H2C4O_coeff * HCCO_H2CC& + CH_H2C4O_coeff * CH_H2CC& + CH2_H2C4O_coeff * CH2_H2CC& + CH2DXCH2_H2C4O_coeff * CH2DXCH2_H2CC& + AXC3H5_H2C4O_coeff * AXC3H5_H2CC& + C3H3_H2C4O_coeff * C3H3_H2CC& + HCO_H2C4O_coeff * HCO_H2CC& + C4H4_H2C4O_coeff * C4H4_H2CC& ) H2CC_PXC3H4_coeff = ( 0.0_pr& + C2O_PXC3H4_coeff * C2O_H2CC& + HCCO_PXC3H4_coeff * HCCO_H2CC& + CH_PXC3H4_coeff * CH_H2CC& + CH2_PXC3H4_coeff * CH2_H2CC& + CH2DXCH2_PXC3H4_coeff * CH2DXCH2_H2CC& + AXC3H5_PXC3H4_coeff * AXC3H5_H2CC& + C3H3_PXC3H4_coeff * C3H3_H2CC& + HCO_PXC3H4_coeff * HCO_H2CC& + C4H4_PXC3H4_coeff * C4H4_H2CC& ) H2CC_CH2CHO_coeff = ( 0.0_pr& + C2O_CH2CHO_coeff * C2O_H2CC& + HCCO_CH2CHO_coeff * HCCO_H2CC& + CH_CH2CHO_coeff * CH_H2CC& + CH2_CH2CHO_coeff * CH2_H2CC& + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_H2CC& + AXC3H5_CH2CHO_coeff * AXC3H5_H2CC& + C3H3_CH2CHO_coeff * C3H3_H2CC& + HCO_CH2CHO_coeff * HCO_H2CC& + C4H4_CH2CHO_coeff * C4H4_H2CC& ) ! C2H --------------------------------------- C2H_denom2 = TINY(1.0_pr) + ( C2H_denom1& - C2O_C2H_coeff * C2O_C2H& - HCCO_C2H_coeff * HCCO_C2H& - CH_C2H_coeff * CH_C2H& - CH2_C2H_coeff * CH2_C2H& - CH2DXCH2_C2H_coeff * CH2DXCH2_C2H& - AXC3H5_C2H_coeff * AXC3H5_C2H& - C3H3_C2H_coeff * C3H3_C2H& - HCO_C2H_coeff * HCO_C2H& - C4H4_C2H_coeff * C4H4_C2H& - H2CC_C2H_coeff * H2CC_C2H ) C2H_ct2 = ( C2H_ct1& + C2O_C2H_coeff * C2O_ct2& + HCCO_C2H_coeff * HCCO_ct2& + CH_C2H_coeff * CH_ct2& + CH2_C2H_coeff * CH2_ct2& + CH2DXCH2_C2H_coeff * CH2DXCH2_ct2& + AXC3H5_C2H_coeff * AXC3H5_ct2& + C3H3_C2H_coeff * C3H3_ct2& + HCO_C2H_coeff * HCO_ct2& + C4H4_C2H_coeff * C4H4_ct2& + H2CC_C2H_coeff * H2CC_ct2& ) / C2H_denom2 C2H_C2H3 = ( 0.0_pr& + C2O_C2H_coeff * C2O_C2H3& + HCCO_C2H_coeff * HCCO_C2H3& + CH_C2H_coeff * CH_C2H3& + CH2_C2H_coeff * CH2_C2H3& + CH2DXCH2_C2H_coeff * CH2DXCH2_C2H3& + AXC3H5_C2H_coeff * AXC3H5_C2H3& + C3H3_C2H_coeff * C3H3_C2H3& + HCO_C2H_coeff * HCO_C2H3& + C4H4_C2H_coeff * C4H4_C2H3& + H2CC_C2H_coeff * H2CC_C2H3& ) / C2H_denom2 C2H_C4H2 = ( 0.0_pr& + k(r99b) * c(sH)& + C2O_C2H_coeff * C2O_C4H2& + HCCO_C2H_coeff * HCCO_C4H2& + CH_C2H_coeff * CH_C4H2& + CH2_C2H_coeff * CH2_C4H2& + CH2DXCH2_C2H_coeff * CH2DXCH2_C4H2& + AXC3H5_C2H_coeff * AXC3H5_C4H2& + C3H3_C2H_coeff * C3H3_C4H2& + HCO_C2H_coeff * HCO_C4H2& + C4H4_C2H_coeff * C4H4_C4H2& + H2CC_C2H_coeff * H2CC_C4H2& ) / C2H_denom2 C2H_H2C4O = ( 0.0_pr& + C2O_C2H_coeff * C2O_H2C4O& + HCCO_C2H_coeff * HCCO_H2C4O& + CH_C2H_coeff * CH_H2C4O& + CH2_C2H_coeff * CH2_H2C4O& + CH2DXCH2_C2H_coeff * CH2DXCH2_H2C4O& + AXC3H5_C2H_coeff * AXC3H5_H2C4O& + C3H3_C2H_coeff * C3H3_H2C4O& + HCO_C2H_coeff * HCO_H2C4O& + C4H4_C2H_coeff * C4H4_H2C4O& + H2CC_C2H_coeff * H2CC_H2C4O& ) / C2H_denom2 C2H_PXC3H4 = ( 0.0_pr& + C2O_C2H_coeff * C2O_PXC3H4& + HCCO_C2H_coeff * HCCO_PXC3H4& + CH_C2H_coeff * CH_PXC3H4& + CH2_C2H_coeff * CH2_PXC3H4& + CH2DXCH2_C2H_coeff * CH2DXCH2_PXC3H4& + AXC3H5_C2H_coeff * AXC3H5_PXC3H4& + C3H3_C2H_coeff * C3H3_PXC3H4& + HCO_C2H_coeff * HCO_PXC3H4& + C4H4_C2H_coeff * C4H4_PXC3H4& + H2CC_C2H_coeff * H2CC_PXC3H4& ) / C2H_denom2 C2H_CH2CHO = ( 0.0_pr& + C2O_C2H_coeff * C2O_CH2CHO& + HCCO_C2H_coeff * HCCO_CH2CHO& + CH_C2H_coeff * CH_CH2CHO& + CH2_C2H_coeff * CH2_CH2CHO& + CH2DXCH2_C2H_coeff * CH2DXCH2_CH2CHO& + AXC3H5_C2H_coeff * AXC3H5_CH2CHO& + C3H3_C2H_coeff * C3H3_CH2CHO& + HCO_C2H_coeff * HCO_CH2CHO& + C4H4_C2H_coeff * C4H4_CH2CHO& + H2CC_C2H_coeff * H2CC_CH2CHO& ) / C2H_denom2 C2H_C2H3_coeff = ( 0.0_pr& + C2O_C2H3_coeff * C2O_C2H& + HCCO_C2H3_coeff * HCCO_C2H& + CH_C2H3_coeff * CH_C2H& + CH2_C2H3_coeff * CH2_C2H& + CH2DXCH2_C2H3_coeff * CH2DXCH2_C2H& + AXC3H5_C2H3_coeff * AXC3H5_C2H& + C3H3_C2H3_coeff * C3H3_C2H& + HCO_C2H3_coeff * HCO_C2H& + C4H4_C2H3_coeff * C4H4_C2H& + H2CC_C2H3_coeff * H2CC_C2H& ) C2H_C4H2_coeff = ( 0.0_pr& + k(r99f) * c(sC2H2)& + C2O_C4H2_coeff * C2O_C2H& + HCCO_C4H2_coeff * HCCO_C2H& + CH_C4H2_coeff * CH_C2H& + CH2_C4H2_coeff * CH2_C2H& + CH2DXCH2_C4H2_coeff * CH2DXCH2_C2H& + AXC3H5_C4H2_coeff * AXC3H5_C2H& + C3H3_C4H2_coeff * C3H3_C2H& + HCO_C4H2_coeff * HCO_C2H& + C4H4_C4H2_coeff * C4H4_C2H& + H2CC_C4H2_coeff * H2CC_C2H& ) C2H_H2C4O_coeff = ( 0.0_pr& + C2O_H2C4O_coeff * C2O_C2H& + HCCO_H2C4O_coeff * HCCO_C2H& + CH_H2C4O_coeff * CH_C2H& + CH2_H2C4O_coeff * CH2_C2H& + CH2DXCH2_H2C4O_coeff * CH2DXCH2_C2H& + AXC3H5_H2C4O_coeff * AXC3H5_C2H& + C3H3_H2C4O_coeff * C3H3_C2H& + HCO_H2C4O_coeff * HCO_C2H& + C4H4_H2C4O_coeff * C4H4_C2H& + H2CC_H2C4O_coeff * H2CC_C2H& ) C2H_PXC3H4_coeff = ( 0.0_pr& + C2O_PXC3H4_coeff * C2O_C2H& + HCCO_PXC3H4_coeff * HCCO_C2H& + CH_PXC3H4_coeff * CH_C2H& + CH2_PXC3H4_coeff * CH2_C2H& + CH2DXCH2_PXC3H4_coeff * CH2DXCH2_C2H& + AXC3H5_PXC3H4_coeff * AXC3H5_C2H& + C3H3_PXC3H4_coeff * C3H3_C2H& + HCO_PXC3H4_coeff * HCO_C2H& + C4H4_PXC3H4_coeff * C4H4_C2H& + H2CC_PXC3H4_coeff * H2CC_C2H& ) C2H_CH2CHO_coeff = ( 0.0_pr& + C2O_CH2CHO_coeff * C2O_C2H& + HCCO_CH2CHO_coeff * HCCO_C2H& + CH_CH2CHO_coeff * CH_C2H& + CH2_CH2CHO_coeff * CH2_C2H& + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_C2H& + AXC3H5_CH2CHO_coeff * AXC3H5_C2H& + C3H3_CH2CHO_coeff * C3H3_C2H& + HCO_CH2CHO_coeff * HCO_C2H& + C4H4_CH2CHO_coeff * C4H4_C2H& + H2CC_CH2CHO_coeff * H2CC_C2H& ) ! C2H3 --------------------------------------- C2H3_denom2 = TINY(1.0_pr) + ( C2H3_denom1& - C2O_C2H3_coeff * C2O_C2H3& - HCCO_C2H3_coeff * HCCO_C2H3& - CH_C2H3_coeff * CH_C2H3& - CH2_C2H3_coeff * CH2_C2H3& - CH2DXCH2_C2H3_coeff * CH2DXCH2_C2H3& - AXC3H5_C2H3_coeff * AXC3H5_C2H3& - C3H3_C2H3_coeff * C3H3_C2H3& - HCO_C2H3_coeff * HCO_C2H3& - C4H4_C2H3_coeff * C4H4_C2H3& - H2CC_C2H3_coeff * H2CC_C2H3& - C2H_C2H3_coeff * C2H_C2H3 ) C2H3_ct2 = ( C2H3_ct1& + C2O_C2H3_coeff * C2O_ct2& + HCCO_C2H3_coeff * HCCO_ct2& + CH_C2H3_coeff * CH_ct2& + CH2_C2H3_coeff * CH2_ct2& + CH2DXCH2_C2H3_coeff * CH2DXCH2_ct2& + AXC3H5_C2H3_coeff * AXC3H5_ct2& + C3H3_C2H3_coeff * C3H3_ct2& + HCO_C2H3_coeff * HCO_ct2& + C4H4_C2H3_coeff * C4H4_ct2& + H2CC_C2H3_coeff * H2CC_ct2& + C2H_C2H3_coeff * C2H_ct2& ) / C2H3_denom2 C2H3_C4H2 = ( 0.0_pr& + C2O_C2H3_coeff * C2O_C4H2& + HCCO_C2H3_coeff * HCCO_C4H2& + CH_C2H3_coeff * CH_C4H2& + CH2_C2H3_coeff * CH2_C4H2& + CH2DXCH2_C2H3_coeff * CH2DXCH2_C4H2& + AXC3H5_C2H3_coeff * AXC3H5_C4H2& + C3H3_C2H3_coeff * C3H3_C4H2& + HCO_C2H3_coeff * HCO_C4H2& + C4H4_C2H3_coeff * C4H4_C4H2& + H2CC_C2H3_coeff * H2CC_C4H2& + C2H_C2H3_coeff * C2H_C4H2& ) / C2H3_denom2 C2H3_H2C4O = ( 0.0_pr& + C2O_C2H3_coeff * C2O_H2C4O& + HCCO_C2H3_coeff * HCCO_H2C4O& + CH_C2H3_coeff * CH_H2C4O& + CH2_C2H3_coeff * CH2_H2C4O& + CH2DXCH2_C2H3_coeff * CH2DXCH2_H2C4O& + AXC3H5_C2H3_coeff * AXC3H5_H2C4O& + C3H3_C2H3_coeff * C3H3_H2C4O& + HCO_C2H3_coeff * HCO_H2C4O& + C4H4_C2H3_coeff * C4H4_H2C4O& + H2CC_C2H3_coeff * H2CC_H2C4O& + C2H_C2H3_coeff * C2H_H2C4O& ) / C2H3_denom2 C2H3_PXC3H4 = ( 0.0_pr& + C2O_C2H3_coeff * C2O_PXC3H4& + HCCO_C2H3_coeff * HCCO_PXC3H4& + CH_C2H3_coeff * CH_PXC3H4& + CH2_C2H3_coeff * CH2_PXC3H4& + CH2DXCH2_C2H3_coeff * CH2DXCH2_PXC3H4& + AXC3H5_C2H3_coeff * AXC3H5_PXC3H4& + C3H3_C2H3_coeff * C3H3_PXC3H4& + HCO_C2H3_coeff * HCO_PXC3H4& + C4H4_C2H3_coeff * C4H4_PXC3H4& + H2CC_C2H3_coeff * H2CC_PXC3H4& + C2H_C2H3_coeff * C2H_PXC3H4& ) / C2H3_denom2 C2H3_CH2CHO = ( 0.0_pr& + C2O_C2H3_coeff * C2O_CH2CHO& + HCCO_C2H3_coeff * HCCO_CH2CHO& + CH_C2H3_coeff * CH_CH2CHO& + CH2_C2H3_coeff * CH2_CH2CHO& + CH2DXCH2_C2H3_coeff * CH2DXCH2_CH2CHO& + AXC3H5_C2H3_coeff * AXC3H5_CH2CHO& + C3H3_C2H3_coeff * C3H3_CH2CHO& + HCO_C2H3_coeff * HCO_CH2CHO& + C4H4_C2H3_coeff * C4H4_CH2CHO& + H2CC_C2H3_coeff * H2CC_CH2CHO& + C2H_C2H3_coeff * C2H_CH2CHO& ) / C2H3_denom2 C2H3_C4H2_coeff = ( 0.0_pr& + C2O_C4H2_coeff * C2O_C2H3& + HCCO_C4H2_coeff * HCCO_C2H3& + CH_C4H2_coeff * CH_C2H3& + CH2_C4H2_coeff * CH2_C2H3& + CH2DXCH2_C4H2_coeff * CH2DXCH2_C2H3& + AXC3H5_C4H2_coeff * AXC3H5_C2H3& + C3H3_C4H2_coeff * C3H3_C2H3& + HCO_C4H2_coeff * HCO_C2H3& + C4H4_C4H2_coeff * C4H4_C2H3& + H2CC_C4H2_coeff * H2CC_C2H3& + C2H_C4H2_coeff * C2H_C2H3& ) C2H3_H2C4O_coeff = ( 0.0_pr& + C2O_H2C4O_coeff * C2O_C2H3& + HCCO_H2C4O_coeff * HCCO_C2H3& + CH_H2C4O_coeff * CH_C2H3& + CH2_H2C4O_coeff * CH2_C2H3& + CH2DXCH2_H2C4O_coeff * CH2DXCH2_C2H3& + AXC3H5_H2C4O_coeff * AXC3H5_C2H3& + C3H3_H2C4O_coeff * C3H3_C2H3& + HCO_H2C4O_coeff * HCO_C2H3& + C4H4_H2C4O_coeff * C4H4_C2H3& + H2CC_H2C4O_coeff * H2CC_C2H3& + C2H_H2C4O_coeff * C2H_C2H3& ) C2H3_PXC3H4_coeff = ( 0.0_pr& + C2O_PXC3H4_coeff * C2O_C2H3& + HCCO_PXC3H4_coeff * HCCO_C2H3& + CH_PXC3H4_coeff * CH_C2H3& + CH2_PXC3H4_coeff * CH2_C2H3& + CH2DXCH2_PXC3H4_coeff * CH2DXCH2_C2H3& + AXC3H5_PXC3H4_coeff * AXC3H5_C2H3& + C3H3_PXC3H4_coeff * C3H3_C2H3& + HCO_PXC3H4_coeff * HCO_C2H3& + C4H4_PXC3H4_coeff * C4H4_C2H3& + H2CC_PXC3H4_coeff * H2CC_C2H3& + C2H_PXC3H4_coeff * C2H_C2H3& ) C2H3_CH2CHO_coeff = ( 0.0_pr& + k(r107) * c(sO2)+ k(r115) * c(sHO2)& + C2O_CH2CHO_coeff * C2O_C2H3& + HCCO_CH2CHO_coeff * HCCO_C2H3& + CH_CH2CHO_coeff * CH_C2H3& + CH2_CH2CHO_coeff * CH2_C2H3& + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_C2H3& + AXC3H5_CH2CHO_coeff * AXC3H5_C2H3& + C3H3_CH2CHO_coeff * C3H3_C2H3& + HCO_CH2CHO_coeff * HCO_C2H3& + C4H4_CH2CHO_coeff * C4H4_C2H3& + H2CC_CH2CHO_coeff * H2CC_C2H3& + C2H_CH2CHO_coeff * C2H_C2H3& ) ! C4H2 --------------------------------------- C4H2_denom2 = TINY(1.0_pr) + ( C4H2_denom1& - C2O_C4H2_coeff * C2O_C4H2& - HCCO_C4H2_coeff * HCCO_C4H2& - CH_C4H2_coeff * CH_C4H2& - CH2_C4H2_coeff * CH2_C4H2& - CH2DXCH2_C4H2_coeff * CH2DXCH2_C4H2& - AXC3H5_C4H2_coeff * AXC3H5_C4H2& - C3H3_C4H2_coeff * C3H3_C4H2& - HCO_C4H2_coeff * HCO_C4H2& - C4H4_C4H2_coeff * C4H4_C4H2& - H2CC_C4H2_coeff * H2CC_C4H2& - C2H_C4H2_coeff * C2H_C4H2& - C2H3_C4H2_coeff * C2H3_C4H2 ) C4H2_ct2 = ( C4H2_ct1& + C2O_C4H2_coeff * C2O_ct2& + HCCO_C4H2_coeff * HCCO_ct2& + CH_C4H2_coeff * CH_ct2& + CH2_C4H2_coeff * CH2_ct2& + CH2DXCH2_C4H2_coeff * CH2DXCH2_ct2& + AXC3H5_C4H2_coeff * AXC3H5_ct2& + C3H3_C4H2_coeff * C3H3_ct2& + HCO_C4H2_coeff * HCO_ct2& + C4H4_C4H2_coeff * C4H4_ct2& + H2CC_C4H2_coeff * H2CC_ct2& + C2H_C4H2_coeff * C2H_ct2& + C2H3_C4H2_coeff * C2H3_ct2& ) / C4H2_denom2 C4H2_H2C4O = ( 0.0_pr& + C2O_C4H2_coeff * C2O_H2C4O& + HCCO_C4H2_coeff * HCCO_H2C4O& + CH_C4H2_coeff * CH_H2C4O& + CH2_C4H2_coeff * CH2_H2C4O& + CH2DXCH2_C4H2_coeff * CH2DXCH2_H2C4O& + AXC3H5_C4H2_coeff * AXC3H5_H2C4O& + C3H3_C4H2_coeff * C3H3_H2C4O& + HCO_C4H2_coeff * HCO_H2C4O& + C4H4_C4H2_coeff * C4H4_H2C4O& + H2CC_C4H2_coeff * H2CC_H2C4O& + C2H_C4H2_coeff * C2H_H2C4O& + C2H3_C4H2_coeff * C2H3_H2C4O& ) / C4H2_denom2 C4H2_PXC3H4 = ( 0.0_pr& + C2O_C4H2_coeff * C2O_PXC3H4& + HCCO_C4H2_coeff * HCCO_PXC3H4& + CH_C4H2_coeff * CH_PXC3H4& + CH2_C4H2_coeff * CH2_PXC3H4& + CH2DXCH2_C4H2_coeff * CH2DXCH2_PXC3H4& + AXC3H5_C4H2_coeff * AXC3H5_PXC3H4& + C3H3_C4H2_coeff * C3H3_PXC3H4& + HCO_C4H2_coeff * HCO_PXC3H4& + C4H4_C4H2_coeff * C4H4_PXC3H4& + H2CC_C4H2_coeff * H2CC_PXC3H4& + C2H_C4H2_coeff * C2H_PXC3H4& + C2H3_C4H2_coeff * C2H3_PXC3H4& ) / C4H2_denom2 C4H2_CH2CHO = ( 0.0_pr& + C2O_C4H2_coeff * C2O_CH2CHO& + HCCO_C4H2_coeff * HCCO_CH2CHO& + CH_C4H2_coeff * CH_CH2CHO& + CH2_C4H2_coeff * CH2_CH2CHO& + CH2DXCH2_C4H2_coeff * CH2DXCH2_CH2CHO& + AXC3H5_C4H2_coeff * AXC3H5_CH2CHO& + C3H3_C4H2_coeff * C3H3_CH2CHO& + HCO_C4H2_coeff * HCO_CH2CHO& + C4H4_C4H2_coeff * C4H4_CH2CHO& + H2CC_C4H2_coeff * H2CC_CH2CHO& + C2H_C4H2_coeff * C2H_CH2CHO& + C2H3_C4H2_coeff * C2H3_CH2CHO& ) / C4H2_denom2 C4H2_H2C4O_coeff = ( 0.0_pr& + k(r212) * c(sOH)& + C2O_H2C4O_coeff * C2O_C4H2& + HCCO_H2C4O_coeff * HCCO_C4H2& + CH_H2C4O_coeff * CH_C4H2& + CH2_H2C4O_coeff * CH2_C4H2& + CH2DXCH2_H2C4O_coeff * CH2DXCH2_C4H2& + AXC3H5_H2C4O_coeff * AXC3H5_C4H2& + C3H3_H2C4O_coeff * C3H3_C4H2& + HCO_H2C4O_coeff * HCO_C4H2& + C4H4_H2C4O_coeff * C4H4_C4H2& + H2CC_H2C4O_coeff * H2CC_C4H2& + C2H_H2C4O_coeff * C2H_C4H2& + C2H3_H2C4O_coeff * C2H3_C4H2& ) C4H2_PXC3H4_coeff = ( 0.0_pr& + C2O_PXC3H4_coeff * C2O_C4H2& + HCCO_PXC3H4_coeff * HCCO_C4H2& + CH_PXC3H4_coeff * CH_C4H2& + CH2_PXC3H4_coeff * CH2_C4H2& + CH2DXCH2_PXC3H4_coeff * CH2DXCH2_C4H2& + AXC3H5_PXC3H4_coeff * AXC3H5_C4H2& + C3H3_PXC3H4_coeff * C3H3_C4H2& + HCO_PXC3H4_coeff * HCO_C4H2& + C4H4_PXC3H4_coeff * C4H4_C4H2& + H2CC_PXC3H4_coeff * H2CC_C4H2& + C2H_PXC3H4_coeff * C2H_C4H2& + C2H3_PXC3H4_coeff * C2H3_C4H2& ) C4H2_CH2CHO_coeff = ( 0.0_pr& + C2O_CH2CHO_coeff * C2O_C4H2& + HCCO_CH2CHO_coeff * HCCO_C4H2& + CH_CH2CHO_coeff * CH_C4H2& + CH2_CH2CHO_coeff * CH2_C4H2& + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_C4H2& + AXC3H5_CH2CHO_coeff * AXC3H5_C4H2& + C3H3_CH2CHO_coeff * C3H3_C4H2& + HCO_CH2CHO_coeff * HCO_C4H2& + C4H4_CH2CHO_coeff * C4H4_C4H2& + H2CC_CH2CHO_coeff * H2CC_C4H2& + C2H_CH2CHO_coeff * C2H_C4H2& + C2H3_CH2CHO_coeff * C2H3_C4H2& ) ! H2C4O --------------------------------------- H2C4O_denom2 = TINY(1.0_pr) + ( H2C4O_denom1& - C2O_H2C4O_coeff * C2O_H2C4O& - HCCO_H2C4O_coeff * HCCO_H2C4O& - CH_H2C4O_coeff * CH_H2C4O& - CH2_H2C4O_coeff * CH2_H2C4O& - CH2DXCH2_H2C4O_coeff * CH2DXCH2_H2C4O& - AXC3H5_H2C4O_coeff * AXC3H5_H2C4O& - C3H3_H2C4O_coeff * C3H3_H2C4O& - HCO_H2C4O_coeff * HCO_H2C4O& - C4H4_H2C4O_coeff * C4H4_H2C4O& - H2CC_H2C4O_coeff * H2CC_H2C4O& - C2H_H2C4O_coeff * C2H_H2C4O& - C2H3_H2C4O_coeff * C2H3_H2C4O& - C4H2_H2C4O_coeff * C4H2_H2C4O ) H2C4O_ct2 = ( H2C4O_ct1& + C2O_H2C4O_coeff * C2O_ct2& + HCCO_H2C4O_coeff * HCCO_ct2& + CH_H2C4O_coeff * CH_ct2& + CH2_H2C4O_coeff * CH2_ct2& + CH2DXCH2_H2C4O_coeff * CH2DXCH2_ct2& + AXC3H5_H2C4O_coeff * AXC3H5_ct2& + C3H3_H2C4O_coeff * C3H3_ct2& + HCO_H2C4O_coeff * HCO_ct2& + C4H4_H2C4O_coeff * C4H4_ct2& + H2CC_H2C4O_coeff * H2CC_ct2& + C2H_H2C4O_coeff * C2H_ct2& + C2H3_H2C4O_coeff * C2H3_ct2& + C4H2_H2C4O_coeff * C4H2_ct2& ) / H2C4O_denom2 H2C4O_PXC3H4 = ( 0.0_pr& + C2O_H2C4O_coeff * C2O_PXC3H4& + HCCO_H2C4O_coeff * HCCO_PXC3H4& + CH_H2C4O_coeff * CH_PXC3H4& + CH2_H2C4O_coeff * CH2_PXC3H4& + CH2DXCH2_H2C4O_coeff * CH2DXCH2_PXC3H4& + AXC3H5_H2C4O_coeff * AXC3H5_PXC3H4& + C3H3_H2C4O_coeff * C3H3_PXC3H4& + HCO_H2C4O_coeff * HCO_PXC3H4& + C4H4_H2C4O_coeff * C4H4_PXC3H4& + H2CC_H2C4O_coeff * H2CC_PXC3H4& + C2H_H2C4O_coeff * C2H_PXC3H4& + C2H3_H2C4O_coeff * C2H3_PXC3H4& + C4H2_H2C4O_coeff * C4H2_PXC3H4& ) / H2C4O_denom2 H2C4O_CH2CHO = ( 0.0_pr& + C2O_H2C4O_coeff * C2O_CH2CHO& + HCCO_H2C4O_coeff * HCCO_CH2CHO& + CH_H2C4O_coeff * CH_CH2CHO& + CH2_H2C4O_coeff * CH2_CH2CHO& + CH2DXCH2_H2C4O_coeff * CH2DXCH2_CH2CHO& + AXC3H5_H2C4O_coeff * AXC3H5_CH2CHO& + C3H3_H2C4O_coeff * C3H3_CH2CHO& + HCO_H2C4O_coeff * HCO_CH2CHO& + C4H4_H2C4O_coeff * C4H4_CH2CHO& + H2CC_H2C4O_coeff * H2CC_CH2CHO& + C2H_H2C4O_coeff * C2H_CH2CHO& + C2H3_H2C4O_coeff * C2H3_CH2CHO& + C4H2_H2C4O_coeff * C4H2_CH2CHO& ) / H2C4O_denom2 H2C4O_PXC3H4_coeff = ( 0.0_pr& + C2O_PXC3H4_coeff * C2O_H2C4O& + HCCO_PXC3H4_coeff * HCCO_H2C4O& + CH_PXC3H4_coeff * CH_H2C4O& + CH2_PXC3H4_coeff * CH2_H2C4O& + CH2DXCH2_PXC3H4_coeff * CH2DXCH2_H2C4O& + AXC3H5_PXC3H4_coeff * AXC3H5_H2C4O& + C3H3_PXC3H4_coeff * C3H3_H2C4O& + HCO_PXC3H4_coeff * HCO_H2C4O& + C4H4_PXC3H4_coeff * C4H4_H2C4O& + H2CC_PXC3H4_coeff * H2CC_H2C4O& + C2H_PXC3H4_coeff * C2H_H2C4O& + C2H3_PXC3H4_coeff * C2H3_H2C4O& + C4H2_PXC3H4_coeff * C4H2_H2C4O& ) H2C4O_CH2CHO_coeff = ( 0.0_pr& + C2O_CH2CHO_coeff * C2O_H2C4O& + HCCO_CH2CHO_coeff * HCCO_H2C4O& + CH_CH2CHO_coeff * CH_H2C4O& + CH2_CH2CHO_coeff * CH2_H2C4O& + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_H2C4O& + AXC3H5_CH2CHO_coeff * AXC3H5_H2C4O& + C3H3_CH2CHO_coeff * C3H3_H2C4O& + HCO_CH2CHO_coeff * HCO_H2C4O& + C4H4_CH2CHO_coeff * C4H4_H2C4O& + H2CC_CH2CHO_coeff * H2CC_H2C4O& + C2H_CH2CHO_coeff * C2H_H2C4O& + C2H3_CH2CHO_coeff * C2H3_H2C4O& + C4H2_CH2CHO_coeff * C4H2_H2C4O& ) ! PXC3H4 --------------------------------------- PXC3H4_denom2 = TINY(1.0_pr) + ( PXC3H4_denom1& - C2O_PXC3H4_coeff * C2O_PXC3H4& - HCCO_PXC3H4_coeff * HCCO_PXC3H4& - CH_PXC3H4_coeff * CH_PXC3H4& - CH2_PXC3H4_coeff * CH2_PXC3H4& - CH2DXCH2_PXC3H4_coeff * CH2DXCH2_PXC3H4& - AXC3H5_PXC3H4_coeff * AXC3H5_PXC3H4& - C3H3_PXC3H4_coeff * C3H3_PXC3H4& - HCO_PXC3H4_coeff * HCO_PXC3H4& - C4H4_PXC3H4_coeff * C4H4_PXC3H4& - H2CC_PXC3H4_coeff * H2CC_PXC3H4& - C2H_PXC3H4_coeff * C2H_PXC3H4& - C2H3_PXC3H4_coeff * C2H3_PXC3H4& - C4H2_PXC3H4_coeff * C4H2_PXC3H4& - H2C4O_PXC3H4_coeff * H2C4O_PXC3H4 ) PXC3H4_ct2 = ( PXC3H4_ct1& + C2O_PXC3H4_coeff * C2O_ct2& + HCCO_PXC3H4_coeff * HCCO_ct2& + CH_PXC3H4_coeff * CH_ct2& + CH2_PXC3H4_coeff * CH2_ct2& + CH2DXCH2_PXC3H4_coeff * CH2DXCH2_ct2& + AXC3H5_PXC3H4_coeff * AXC3H5_ct2& + C3H3_PXC3H4_coeff * C3H3_ct2& + HCO_PXC3H4_coeff * HCO_ct2& + C4H4_PXC3H4_coeff * C4H4_ct2& + H2CC_PXC3H4_coeff * H2CC_ct2& + C2H_PXC3H4_coeff * C2H_ct2& + C2H3_PXC3H4_coeff * C2H3_ct2& + C4H2_PXC3H4_coeff * C4H2_ct2& + H2C4O_PXC3H4_coeff * H2C4O_ct2& ) / PXC3H4_denom2 PXC3H4_CH2CHO = ( 0.0_pr& + C2O_PXC3H4_coeff * C2O_CH2CHO& + HCCO_PXC3H4_coeff * HCCO_CH2CHO& + CH_PXC3H4_coeff * CH_CH2CHO& + CH2_PXC3H4_coeff * CH2_CH2CHO& + CH2DXCH2_PXC3H4_coeff * CH2DXCH2_CH2CHO& + AXC3H5_PXC3H4_coeff * AXC3H5_CH2CHO& + C3H3_PXC3H4_coeff * C3H3_CH2CHO& + HCO_PXC3H4_coeff * HCO_CH2CHO& + C4H4_PXC3H4_coeff * C4H4_CH2CHO& + H2CC_PXC3H4_coeff * H2CC_CH2CHO& + C2H_PXC3H4_coeff * C2H_CH2CHO& + C2H3_PXC3H4_coeff * C2H3_CH2CHO& + C4H2_PXC3H4_coeff * C4H2_CH2CHO& + H2C4O_PXC3H4_coeff * H2C4O_CH2CHO& ) / PXC3H4_denom2 PXC3H4_CH2CHO_coeff = ( 0.0_pr& + C2O_CH2CHO_coeff * C2O_PXC3H4& + HCCO_CH2CHO_coeff * HCCO_PXC3H4& + CH_CH2CHO_coeff * CH_PXC3H4& + CH2_CH2CHO_coeff * CH2_PXC3H4& + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_PXC3H4& + AXC3H5_CH2CHO_coeff * AXC3H5_PXC3H4& + C3H3_CH2CHO_coeff * C3H3_PXC3H4& + HCO_CH2CHO_coeff * HCO_PXC3H4& + C4H4_CH2CHO_coeff * C4H4_PXC3H4& + H2CC_CH2CHO_coeff * H2CC_PXC3H4& + C2H_CH2CHO_coeff * C2H_PXC3H4& + C2H3_CH2CHO_coeff * C2H3_PXC3H4& + C4H2_CH2CHO_coeff * C4H2_PXC3H4& + H2C4O_CH2CHO_coeff * H2C4O_PXC3H4& ) ! CH2CHO --------------------------------------- CH2CHO_denom2 = TINY(1.0_pr) + ( CH2CHO_denom1& - C2O_CH2CHO_coeff * C2O_CH2CHO& - HCCO_CH2CHO_coeff * HCCO_CH2CHO& - CH_CH2CHO_coeff * CH_CH2CHO& - CH2_CH2CHO_coeff * CH2_CH2CHO& - CH2DXCH2_CH2CHO_coeff * CH2DXCH2_CH2CHO& - AXC3H5_CH2CHO_coeff * AXC3H5_CH2CHO& - C3H3_CH2CHO_coeff * C3H3_CH2CHO& - HCO_CH2CHO_coeff * HCO_CH2CHO& - C4H4_CH2CHO_coeff * C4H4_CH2CHO& - H2CC_CH2CHO_coeff * H2CC_CH2CHO& - C2H_CH2CHO_coeff * C2H_CH2CHO& - C2H3_CH2CHO_coeff * C2H3_CH2CHO& - C4H2_CH2CHO_coeff * C4H2_CH2CHO& - H2C4O_CH2CHO_coeff * H2C4O_CH2CHO& - PXC3H4_CH2CHO_coeff * PXC3H4_CH2CHO ) CH2CHO_ct2 = ( CH2CHO_ct1& + C2O_CH2CHO_coeff * C2O_ct2& + HCCO_CH2CHO_coeff * HCCO_ct2& + CH_CH2CHO_coeff * CH_ct2& + CH2_CH2CHO_coeff * CH2_ct2& + CH2DXCH2_CH2CHO_coeff * CH2DXCH2_ct2& + AXC3H5_CH2CHO_coeff * AXC3H5_ct2& + C3H3_CH2CHO_coeff * C3H3_ct2& + HCO_CH2CHO_coeff * HCO_ct2& + C4H4_CH2CHO_coeff * C4H4_ct2& + H2CC_CH2CHO_coeff * H2CC_ct2& + C2H_CH2CHO_coeff * C2H_ct2& + C2H3_CH2CHO_coeff * C2H3_ct2& + C4H2_CH2CHO_coeff * C4H2_ct2& + H2C4O_CH2CHO_coeff * H2C4O_ct2& + PXC3H4_CH2CHO_coeff * PXC3H4_ct2& ) / CH2CHO_denom2 ! Reconstruction ------------------------------------ cqss(sCH2CHO-nspec) = ( CH2CHO_ct2 ) cqss(sPXC3H4-nspec) = ( PXC3H4_ct2& + PXC3H4_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sH2C4O-nspec) = ( H2C4O_ct2& + H2C4O_PXC3H4 * cqss(sPXC3H4-nspec)& + H2C4O_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sC4H2-nspec) = ( C4H2_ct2& + C4H2_H2C4O * cqss(sH2C4O-nspec)& + C4H2_PXC3H4 * cqss(sPXC3H4-nspec)& + C4H2_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sC2H3-nspec) = ( C2H3_ct2& + C2H3_C4H2 * cqss(sC4H2-nspec)& + C2H3_H2C4O * cqss(sH2C4O-nspec)& + C2H3_PXC3H4 * cqss(sPXC3H4-nspec)& + C2H3_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sC2H-nspec) = ( C2H_ct2& + C2H_C2H3 * cqss(sC2H3-nspec)& + C2H_C4H2 * cqss(sC4H2-nspec)& + C2H_H2C4O * cqss(sH2C4O-nspec)& + C2H_PXC3H4 * cqss(sPXC3H4-nspec)& + C2H_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sH2CC-nspec) = ( H2CC_ct2& + H2CC_C2H * cqss(sC2H-nspec)& + H2CC_C2H3 * cqss(sC2H3-nspec)& + H2CC_C4H2 * cqss(sC4H2-nspec)& + H2CC_H2C4O * cqss(sH2C4O-nspec)& + H2CC_PXC3H4 * cqss(sPXC3H4-nspec)& + H2CC_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sC4H4-nspec) = ( C4H4_ct2& + C4H4_H2CC * cqss(sH2CC-nspec)& + C4H4_C2H * cqss(sC2H-nspec)& + C4H4_C2H3 * cqss(sC2H3-nspec)& + C4H4_C4H2 * cqss(sC4H2-nspec)& + C4H4_H2C4O * cqss(sH2C4O-nspec)& + C4H4_PXC3H4 * cqss(sPXC3H4-nspec)& + C4H4_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sHCO-nspec) = ( HCO_ct2& + HCO_C4H4 * cqss(sC4H4-nspec)& + HCO_H2CC * cqss(sH2CC-nspec)& + HCO_C2H * cqss(sC2H-nspec)& + HCO_C2H3 * cqss(sC2H3-nspec)& + HCO_C4H2 * cqss(sC4H2-nspec)& + HCO_H2C4O * cqss(sH2C4O-nspec)& + HCO_PXC3H4 * cqss(sPXC3H4-nspec)& + HCO_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sC3H3-nspec) = ( C3H3_ct2& + C3H3_HCO * cqss(sHCO-nspec)& + C3H3_C4H4 * cqss(sC4H4-nspec)& + C3H3_H2CC * cqss(sH2CC-nspec)& + C3H3_C2H * cqss(sC2H-nspec)& + C3H3_C2H3 * cqss(sC2H3-nspec)& + C3H3_C4H2 * cqss(sC4H2-nspec)& + C3H3_H2C4O * cqss(sH2C4O-nspec)& + C3H3_PXC3H4 * cqss(sPXC3H4-nspec)& + C3H3_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sAXC3H5-nspec) = ( AXC3H5_ct2& + AXC3H5_C3H3 * cqss(sC3H3-nspec)& + AXC3H5_HCO * cqss(sHCO-nspec)& + AXC3H5_C4H4 * cqss(sC4H4-nspec)& + AXC3H5_H2CC * cqss(sH2CC-nspec)& + AXC3H5_C2H * cqss(sC2H-nspec)& + AXC3H5_C2H3 * cqss(sC2H3-nspec)& + AXC3H5_C4H2 * cqss(sC4H2-nspec)& + AXC3H5_H2C4O * cqss(sH2C4O-nspec)& + AXC3H5_PXC3H4 * cqss(sPXC3H4-nspec)& + AXC3H5_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sCH2DXCH2-nspec) = ( CH2DXCH2_ct2& + CH2DXCH2_AXC3H5 * cqss(sAXC3H5-nspec)& + CH2DXCH2_C3H3 * cqss(sC3H3-nspec)& + CH2DXCH2_HCO * cqss(sHCO-nspec)& + CH2DXCH2_C4H4 * cqss(sC4H4-nspec)& + CH2DXCH2_H2CC * cqss(sH2CC-nspec)& + CH2DXCH2_C2H * cqss(sC2H-nspec)& + CH2DXCH2_C2H3 * cqss(sC2H3-nspec)& + CH2DXCH2_C4H2 * cqss(sC4H2-nspec)& + CH2DXCH2_H2C4O * cqss(sH2C4O-nspec)& + CH2DXCH2_PXC3H4 * cqss(sPXC3H4-nspec)& + CH2DXCH2_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sCH2-nspec) = ( CH2_ct2& + CH2_CH2DXCH2 * cqss(sCH2DXCH2-nspec)& + CH2_AXC3H5 * cqss(sAXC3H5-nspec)& + CH2_C3H3 * cqss(sC3H3-nspec)& + CH2_HCO * cqss(sHCO-nspec)& + CH2_C4H4 * cqss(sC4H4-nspec)& + CH2_H2CC * cqss(sH2CC-nspec)& + CH2_C2H * cqss(sC2H-nspec)& + CH2_C2H3 * cqss(sC2H3-nspec)& + CH2_C4H2 * cqss(sC4H2-nspec)& + CH2_H2C4O * cqss(sH2C4O-nspec)& + CH2_PXC3H4 * cqss(sPXC3H4-nspec)& + CH2_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sCH-nspec) = ( CH_ct2& + CH_CH2 * cqss(sCH2-nspec)& + CH_CH2DXCH2 * cqss(sCH2DXCH2-nspec)& + CH_AXC3H5 * cqss(sAXC3H5-nspec)& + CH_C3H3 * cqss(sC3H3-nspec)& + CH_HCO * cqss(sHCO-nspec)& + CH_C4H4 * cqss(sC4H4-nspec)& + CH_H2CC * cqss(sH2CC-nspec)& + CH_C2H * cqss(sC2H-nspec)& + CH_C2H3 * cqss(sC2H3-nspec)& + CH_C4H2 * cqss(sC4H2-nspec)& + CH_H2C4O * cqss(sH2C4O-nspec)& + CH_PXC3H4 * cqss(sPXC3H4-nspec)& + CH_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sHCCO-nspec) = ( HCCO_ct2& + HCCO_CH * cqss(sCH-nspec)& + HCCO_CH2 * cqss(sCH2-nspec)& + HCCO_CH2DXCH2 * cqss(sCH2DXCH2-nspec)& + HCCO_AXC3H5 * cqss(sAXC3H5-nspec)& + HCCO_C3H3 * cqss(sC3H3-nspec)& + HCCO_HCO * cqss(sHCO-nspec)& + HCCO_C4H4 * cqss(sC4H4-nspec)& + HCCO_H2CC * cqss(sH2CC-nspec)& + HCCO_C2H * cqss(sC2H-nspec)& + HCCO_C2H3 * cqss(sC2H3-nspec)& + HCCO_C4H2 * cqss(sC4H2-nspec)& + HCCO_H2C4O * cqss(sH2C4O-nspec)& + HCCO_PXC3H4 * cqss(sPXC3H4-nspec)& + HCCO_CH2CHO * cqss(sCH2CHO-nspec) ) cqss(sC2O-nspec) = ( C2O_ct2& + C2O_HCCO * cqss(sHCCO-nspec)& + C2O_CH * cqss(sCH-nspec)& + C2O_CH2 * cqss(sCH2-nspec)& + C2O_CH2DXCH2 * cqss(sCH2DXCH2-nspec)& + C2O_AXC3H5 * cqss(sAXC3H5-nspec)& + C2O_C3H3 * cqss(sC3H3-nspec)& + C2O_HCO * cqss(sHCO-nspec)& + C2O_C4H4 * cqss(sC4H4-nspec)& + C2O_H2CC * cqss(sH2CC-nspec)& + C2O_C2H * cqss(sC2H-nspec)& + C2O_C2H3 * cqss(sC2H3-nspec)& + C2O_C4H2 * cqss(sC4H2-nspec)& + C2O_H2C4O * cqss(sH2C4O-nspec)& + C2O_PXC3H4 * cqss(sPXC3H4-nspec)& + C2O_CH2CHO * cqss(sCH2CHO-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 !SUBROUTINE INTERNALAVBP ( P, T, c, WDOT, efcy_thick ) !-------------------------------------------------------------------------------------------------- ! SUBROUTINE INTERNALAVBP !> @details Subroutine for calculating the species production rates. !! @authors T. Jaravel !! @date 31/03/2017 !! @param [in] P Pressure !! @param [in] T Temperature !! @param [in] C Activity Concentration !! @param [out] WDOT Species Productions rates [mol/m3/s] !-------------------------------------------------------------------------------------------------- SUBROUTINE INTERNALAVBP ( P, T, c, WDOT ) USE mod_misc_defs, ONLY: dtmin USE mod_input_param_defs, ONLY: niter_chem IMPLICIT NONE REAL(pr) :: T,P REAL(pr), DIMENSION(nspec) :: c, WDOT REAL(pr), DIMENSION(nqss) :: cqss REAL(pr), DIMENSION(nreac) :: w,k REAL(pr), DIMENSION(27) :: m REAL(pr) :: forH2O2, backH2O2, forHO2, backHO2, forC6H12, backC6H12, forC5H10, backC5H10, forC12, backC12 REAL(pr) :: dt, curdot, denom ! INTEGER :: i CALL get_thirdbodies ( M,c ) CALL get_rate_coefficients ( k,M,T,P ) CALL get_QSS ( cqss,c,k,M ) CALL get_reaction_rates ( w,k,M,c,cqss ) ! Advance stiff species with implicit formulation ! c^n+1 = c^n + ( w(c^n, T^n)^+ - w(c^n,T^n)^- * c^n+1 ) * dt dt = dtmin !H2O2 implicitation forH2O2 = +w(r3f)+w(r10)+w(r14)+w(r17)+w(r76)+w(r139)+w(r201)+w(r244)+w(r270)+w(r281)+w(r283)+w(r20b)+w(r40b) backH2O2 = +w(r20f)+w(r21)+w(r40f)+w(r3b) denom = one / ( one + backH2O2 / c(sH2O2) * dt ) curdot = forH2O2 - backH2O2 c(sH2O2) = c(sH2O2) + curdot * denom * dt !HO2 implicitation forHO2 = +w(r8f)+w(r9f)+w(r20f)+w(r21)+w(r40f)+w(r68)+w(r75)+w(r79)+w(r116f)+w(r136f)+w(r168f)+w(r206f)+w(r237)+w(r275)+w(r15b)+w(r19b)+w(r189b) backHO2 = +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(r44)+w(r49)+w(r60)+w(r76)+w(r115)+w(r135)+w(r137)& +w(r139)+w(r172)+w(r174)+w(r183)+w(r189f)+w(r192)+w(r201)+w(r210)+w(r223)+w(r235)+w(r244)+w(r270)+w(r281)+w(r283)+w(r8b)+w(r9b)+w(r20b)+w(r40b)& +w(r116b)+w(r136b)+w(r168b)+w(r206b) denom = one / ( one + backHO2 / c(sHO2) * dt ) curdot = forHO2 - backHO2 c(sHO2) = c(sHO2) + curdot * denom * dt !C6H12 implicitation forC6H12 = +w(r270)+w(r271)+w(r272)+w(r274)+w(r276)+w(r277)+w(r278)+w(r279)+w(r282)+w(r283)+w(r285)+w(r287) backC6H12 = +w(r262)+w(r263)+w(r264)+w(r265) denom = one / ( one + backC6H12 / c(sC6H12) * dt ) curdot = forC6H12 - backC6H12 c(sC6H12) = c(sC6H12) + curdot * denom * dt !C5H10 implicitation forC5H10 = +w(r268)+w(r269)+w(r275)+w(r280)+w(r281)+w(r286) backC5H10 = +w(r250)+w(r251)+w(r252)+w(r253) denom = one / ( one + backC5H10 / c(sC5H10) * dt ) curdot = forC5H10 - backC5H10 c(sC5H10) = c(sC5H10) + curdot * denom * dt !C12H26 implicitation forC12 = zero backC12 = +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) denom = one / ( one + backC12 / c(sNXC12H26) * dt ) curdot = forC12 - backC12 c(sNXC12H26) = c(sNXC12H26) + curdot * denom * dt ! Recall QSS, rates and get final production rates etc CALL get_QSS ( cqss,c,k,M ) CALL get_reaction_rates ( w,k,M,c,cqss ) CALL get_production_rates ( WDOT,w ) END SUBROUTINE INTERNALAVBP END MODULE mod_NC12H26_25_373_27_TJ !-------------------------------------------------------------------------------------------------- ! SUBROUTINE NC12H26_25_373_27_TJ !> @details Subroutine for calculating the analytical source terms for the NC12H26_25_373_27_TJ scheme. !! @authors T. Jaravel !! @date 31/03/2017 !! @param [in] nnode Dimension of the table (the routine is either called at cells or nodes) !! @param [in] neqs Number of species !! @param [in] rhoinv Inverse of density vector !! @param [in] press Pressure vector !! @param [in] tempe Temperature vector !! @param [in] w_spec RhoYk vector !! @param [in] wmol Molar masses !! @param [out] source_spec The source term vector !-------------------------------------------------------------------------------------------------- SUBROUTINE NC12H26_25_373_27_TJ ( nnode,neqs,rhoinv,press,tempe,w_spec,wmol,source_spec ) USE mod_param_defs ! USE mod_compute_defs, ONLY: efcy_thick USE mod_NC12H26_25_373_27_TJ, ONLY: INTERNALAVBP IMPLICIT NONE ! IN/OUT INTEGER, INTENT(IN) :: nnode, neqs REAL(pr), DIMENSION(1:neqs), INTENT(IN) :: wmol REAL(pr), DIMENSION(1:nnode), INTENT(IN) :: rhoinv,press,tempe REAL(pr), DIMENSION(1:neqs,1:nnode), INTENT(IN) :: w_spec REAL(pr), DIMENSION(1:neqs,1:nnode), INTENT(OUT) ::source_spec ! LOCAL REAL(pr), DIMENSION(1:neqs) :: C REAL(pr), DIMENSION(1:neqs) :: source_spec_buf REAL(pr) :: P,T INTEGER :: n,k DO n=1,nnode P = press(n) T = tempe(n) ! Activity concentrations DO k=1,neqs C(k) = MIN( w_spec(k,n), one/rhoinv(n) ) C(k) = C(k) / wmol(k) C(k) = MAX(C(k),1e-9_pr) END DO ! The internal YARC routine is called ! CALL INTERNALAVBP ( P, T, C, source_spec_buf, efcy_thick(n) ) CALL INTERNALAVBP ( P, T, C, source_spec_buf) ! Conversion from mol/m3/s to kg/m3/s DO k=1,neqs source_spec(k,n) = source_spec_buf(k) * wmol(k) END DO END DO END SUBROUTINE NC12H26_25_373_27_TJ