module mechanism implicit none INTEGER, PARAMETER :: WP = SELECTED_REAL_KIND(14,300) REAL(KIND=WP) :: working_precision_variables integer, parameter :: nspec = 18 integer, parameter :: nreac = 330 integer, parameter :: isc_T = 1 integer, parameter :: neq = nspec + 1 ! QSS variables ! Number of QSS species integer, parameter :: nqss = 11 ! QSS species integer, dimension(nspec + nqss) :: iqss real(WP), 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 = 30 ! Max number of species in groups integer, parameter :: maxppn = 1 ! Number of species in each group integer, dimension(ng) :: ppn ! Species in each group integer, dimension(ng,maxppn) :: pp ! Name of species in each group character(len=30), dimension(ng) :: ppname ! Actual expression of each reaction character(len=65), dimension(nreac) :: reacexp ! Link between backward and forward rates integer, dimension(nreac) :: fofb ! Index of species integer, parameter :: sN2 = 1 integer, parameter :: sH = 2 integer, parameter :: sH2 = 3 integer, parameter :: sO = 4 integer, parameter :: sOH = 5 integer, parameter :: sO2 = 6 integer, parameter :: sH2O2 = 7 integer, parameter :: sH2O = 8 integer, parameter :: sHO2 = 9 integer, parameter :: sCO = 10 integer, parameter :: sCH3 = 11 integer, parameter :: sCH2O = 12 integer, parameter :: sCO2 = 13 integer, parameter :: sCH4 = 14 integer, parameter :: sC2H2 = 15 integer, parameter :: sC2H4 = 16 integer, parameter :: sCH2CO = 17 integer, parameter :: sC2H6 = 18 integer, parameter :: sC = 19 integer, parameter :: sCH = 20 integer, parameter :: sHCO = 21 integer, parameter :: sTXCH2 = 22 integer, parameter :: sSXCH2 = 23 integer, parameter :: sC2H3 = 24 integer, parameter :: sC2H5 = 25 integer, parameter :: sHCCO = 26 integer, parameter :: sCH3CHO = 27 integer, parameter :: sCH2CHO = 28 integer, parameter :: sC2H5O = 29 ! Index of reactions integer, parameter :: r1f = 1 integer, parameter :: r2f = 2 integer, parameter :: r3f = 3 integer, parameter :: r4f = 4 integer, parameter :: r5f = 5 integer, parameter :: r6f = 6 integer, parameter :: r7f = 7 integer, parameter :: r8f = 8 integer, parameter :: r9f = 9 integer, parameter :: r10f = 10 integer, parameter :: r11f = 11 integer, parameter :: r12f = 12 integer, parameter :: r13f = 13 integer, parameter :: r14f = 14 integer, parameter :: r15f = 15 integer, parameter :: r17f = 16 integer, parameter :: r18f = 17 integer, parameter :: r20f = 18 integer, parameter :: r21f = 19 integer, parameter :: r22f = 20 integer, parameter :: r23f = 21 integer, parameter :: r24f = 22 integer, parameter :: r25f = 23 integer, parameter :: rG26f = 24 integer, parameter :: rG27f = 25 integer, parameter :: rG28f = 26 integer, parameter :: rG29f = 27 integer, parameter :: rG30f = 28 integer, parameter :: rG31f = 29 integer, parameter :: rG32f = 30 integer, parameter :: rG33f = 31 integer, parameter :: rG34f = 32 integer, parameter :: rG35f = 33 integer, parameter :: rG36 = 34 integer, parameter :: rG37f = 35 integer, parameter :: rG38f = 36 integer, parameter :: rG40f = 37 integer, parameter :: rG41 = 38 integer, parameter :: rG42f = 39 integer, parameter :: rG43f = 40 integer, parameter :: rG46f = 41 integer, parameter :: rG47f = 42 integer, parameter :: rG48f = 43 integer, parameter :: rG49f = 44 integer, parameter :: rG50f = 45 integer, parameter :: rG51f = 46 integer, parameter :: rG52f = 47 integer, parameter :: rG53f = 48 integer, parameter :: rG54 = 49 integer, parameter :: rG55f = 50 integer, parameter :: rG56 = 51 integer, parameter :: rG57f = 52 integer, parameter :: rG58f = 53 integer, parameter :: rG59f = 54 integer, parameter :: rG60f = 55 integer, parameter :: rG61f = 56 integer, parameter :: rG62f = 57 integer, parameter :: rG63f = 58 integer, parameter :: rG64f = 59 integer, parameter :: rG65f = 60 integer, parameter :: rG66f = 61 integer, parameter :: rG67f = 62 integer, parameter :: rG68f = 63 integer, parameter :: rG69 = 64 integer, parameter :: rG70f = 65 integer, parameter :: rG71f = 66 integer, parameter :: rG72f = 67 integer, parameter :: rG73f = 68 integer, parameter :: rG74f = 69 integer, parameter :: rG75f = 70 integer, parameter :: rG76f = 71 integer, parameter :: rG77f = 72 integer, parameter :: r78f = 73 integer, parameter :: r79f = 74 integer, parameter :: rG80f = 75 integer, parameter :: rG81f = 76 integer, parameter :: r82f = 77 integer, parameter :: r83f = 78 integer, parameter :: r84f = 79 integer, parameter :: r85f = 80 integer, parameter :: rG86f = 81 integer, parameter :: rG87f = 82 integer, parameter :: r88f = 83 integer, parameter :: r89f = 84 integer, parameter :: r90f = 85 integer, parameter :: r91f = 86 integer, parameter :: rG92f = 87 integer, parameter :: r93f = 88 integer, parameter :: r94f = 89 integer, parameter :: rG95f = 90 integer, parameter :: rG96f = 91 integer, parameter :: rG97f = 92 integer, parameter :: rG98f = 93 integer, parameter :: rG99f = 94 integer, parameter :: rG100f = 95 integer, parameter :: rG101f = 96 integer, parameter :: r102f = 97 integer, parameter :: rG103f = 98 integer, parameter :: rG104f = 99 integer, parameter :: rG105f = 100 integer, parameter :: rG106f = 101 integer, parameter :: rG107f = 102 integer, parameter :: rG108f = 103 integer, parameter :: rG109f = 104 integer, parameter :: rG110f = 105 integer, parameter :: rG111f = 106 integer, parameter :: rG112f = 107 integer, parameter :: rG113f = 108 integer, parameter :: rG114f = 109 integer, parameter :: rR116f = 110 integer, parameter :: rG117f = 111 integer, parameter :: rG119f = 112 integer, parameter :: rR120f = 113 integer, parameter :: rG121f = 114 integer, parameter :: rG122f = 115 integer, parameter :: rG123f = 116 integer, parameter :: rR124 = 117 integer, parameter :: rG125f = 118 integer, parameter :: rG126f = 119 integer, parameter :: rG127f = 120 integer, parameter :: rG128f = 121 integer, parameter :: rR129f = 122 integer, parameter :: rG130f = 123 integer, parameter :: rG131f = 124 integer, parameter :: rR132f = 125 integer, parameter :: rG133f = 126 integer, parameter :: rR134f = 127 integer, parameter :: rG135f = 128 integer, parameter :: rG136f = 129 integer, parameter :: rG137f = 130 integer, parameter :: rR139f = 131 integer, parameter :: rG140f = 132 integer, parameter :: rG141f = 133 integer, parameter :: rG142f = 134 integer, parameter :: rG143f = 135 integer, parameter :: rG144f = 136 integer, parameter :: rR145f = 137 integer, parameter :: rG146f = 138 integer, parameter :: rG147f = 139 integer, parameter :: rG149f = 140 integer, parameter :: rG151f = 141 integer, parameter :: rR154f = 142 integer, parameter :: rG155f = 143 integer, parameter :: rG156f = 144 integer, parameter :: rR157f = 145 integer, parameter :: rG158f = 146 integer, parameter :: rR159f = 147 integer, parameter :: rG160f = 148 integer, parameter :: rR161f = 149 integer, parameter :: rG162f = 150 integer, parameter :: rG163f = 151 integer, parameter :: rR164f = 152 integer, parameter :: rG166f = 153 integer, parameter :: rG167f = 154 integer, parameter :: rG168f = 155 integer, parameter :: rG169f = 156 integer, parameter :: rG170 = 157 integer, parameter :: rG171f = 158 integer, parameter :: rG172 = 159 integer, parameter :: rG173f = 160 integer, parameter :: rG174 = 161 integer, parameter :: rG175 = 162 integer, parameter :: rG176 = 163 integer, parameter :: rG177f = 164 integer, parameter :: rG178 = 165 integer, parameter :: rG179f = 166 integer, parameter :: rG180 = 167 integer, parameter :: rG181 = 168 integer, parameter :: rG182f = 169 integer, parameter :: rG183f = 170 integer, parameter :: rG184f = 171 integer, parameter :: rG185f = 172 integer, parameter :: r1b = 173 integer, parameter :: r2b = 174 integer, parameter :: r3b = 175 integer, parameter :: r4b = 176 integer, parameter :: r5b = 177 integer, parameter :: r6b = 178 integer, parameter :: r7b = 179 integer, parameter :: r8b = 180 integer, parameter :: r9b = 181 integer, parameter :: r10b = 182 integer, parameter :: r11b = 183 integer, parameter :: r12b = 184 integer, parameter :: r13b = 185 integer, parameter :: r14b = 186 integer, parameter :: r15b = 187 integer, parameter :: r17b = 188 integer, parameter :: r18b = 189 integer, parameter :: r20b = 190 integer, parameter :: r21b = 191 integer, parameter :: r22b = 192 integer, parameter :: r23b = 193 integer, parameter :: r24b = 194 integer, parameter :: r25b = 195 integer, parameter :: rG26b = 196 integer, parameter :: rG27b = 197 integer, parameter :: rG28b = 198 integer, parameter :: rG29b = 199 integer, parameter :: rG30b = 200 integer, parameter :: rG31b = 201 integer, parameter :: rG32b = 202 integer, parameter :: rG33b = 203 integer, parameter :: rG34b = 204 integer, parameter :: rG35b = 205 integer, parameter :: rG37b = 206 integer, parameter :: rG38b = 207 integer, parameter :: rG40b = 208 integer, parameter :: rG42b = 209 integer, parameter :: rG43b = 210 integer, parameter :: rG46b = 211 integer, parameter :: rG47b = 212 integer, parameter :: rG48b = 213 integer, parameter :: rG49b = 214 integer, parameter :: rG50b = 215 integer, parameter :: rG51b = 216 integer, parameter :: rG52b = 217 integer, parameter :: rG53b = 218 integer, parameter :: rG55b = 219 integer, parameter :: rG57b = 220 integer, parameter :: rG58b = 221 integer, parameter :: rG59b = 222 integer, parameter :: rG60b = 223 integer, parameter :: rG61b = 224 integer, parameter :: rG62b = 225 integer, parameter :: rG63b = 226 integer, parameter :: rG64b = 227 integer, parameter :: rG65b = 228 integer, parameter :: rG66b = 229 integer, parameter :: rG67b = 230 integer, parameter :: rG68b = 231 integer, parameter :: rG70b = 232 integer, parameter :: rG71b = 233 integer, parameter :: rG72b = 234 integer, parameter :: rG73b = 235 integer, parameter :: rG74b = 236 integer, parameter :: rG75b = 237 integer, parameter :: rG76b = 238 integer, parameter :: rG77b = 239 integer, parameter :: r78b = 240 integer, parameter :: r79b = 241 integer, parameter :: rG80b = 242 integer, parameter :: rG81b = 243 integer, parameter :: r82b = 244 integer, parameter :: r83b = 245 integer, parameter :: r84b = 246 integer, parameter :: r85b = 247 integer, parameter :: rG86b = 248 integer, parameter :: rG87b = 249 integer, parameter :: r88b = 250 integer, parameter :: r89b = 251 integer, parameter :: r90b = 252 integer, parameter :: r91b = 253 integer, parameter :: rG92b = 254 integer, parameter :: r93b = 255 integer, parameter :: r94b = 256 integer, parameter :: rG95b = 257 integer, parameter :: rG96b = 258 integer, parameter :: rG97b = 259 integer, parameter :: rG98b = 260 integer, parameter :: rG99b = 261 integer, parameter :: rG100b = 262 integer, parameter :: rG101b = 263 integer, parameter :: r102b = 264 integer, parameter :: rG103b = 265 integer, parameter :: rG104b = 266 integer, parameter :: rG105b = 267 integer, parameter :: rG106b = 268 integer, parameter :: rG107b = 269 integer, parameter :: rG108b = 270 integer, parameter :: rG109b = 271 integer, parameter :: rG110b = 272 integer, parameter :: rG111b = 273 integer, parameter :: rG112b = 274 integer, parameter :: rG113b = 275 integer, parameter :: rG114b = 276 integer, parameter :: rR116b = 277 integer, parameter :: rG117b = 278 integer, parameter :: rG119b = 279 integer, parameter :: rR120b = 280 integer, parameter :: rG121b = 281 integer, parameter :: rG122b = 282 integer, parameter :: rG123b = 283 integer, parameter :: rG125b = 284 integer, parameter :: rG126b = 285 integer, parameter :: rG127b = 286 integer, parameter :: rG128b = 287 integer, parameter :: rR129b = 288 integer, parameter :: rG130b = 289 integer, parameter :: rG131b = 290 integer, parameter :: rR132b = 291 integer, parameter :: rG133b = 292 integer, parameter :: rR134b = 293 integer, parameter :: rG135b = 294 integer, parameter :: rG136b = 295 integer, parameter :: rG137b = 296 integer, parameter :: rR139b = 297 integer, parameter :: rG140b = 298 integer, parameter :: rG141b = 299 integer, parameter :: rG142b = 300 integer, parameter :: rG143b = 301 integer, parameter :: rG144b = 302 integer, parameter :: rR145b = 303 integer, parameter :: rG146b = 304 integer, parameter :: rG147b = 305 integer, parameter :: rG149b = 306 integer, parameter :: rG151b = 307 integer, parameter :: rR154b = 308 integer, parameter :: rG155b = 309 integer, parameter :: rG156b = 310 integer, parameter :: rR157b = 311 integer, parameter :: rG158b = 312 integer, parameter :: rR159b = 313 integer, parameter :: rG160b = 314 integer, parameter :: rR161b = 315 integer, parameter :: rG162b = 316 integer, parameter :: rG163b = 317 integer, parameter :: rR164b = 318 integer, parameter :: rG166b = 319 integer, parameter :: rG167b = 320 integer, parameter :: rG168b = 321 integer, parameter :: rG169b = 322 integer, parameter :: rG171b = 323 integer, parameter :: rG173b = 324 integer, parameter :: rG177b = 325 integer, parameter :: rG179b = 326 integer, parameter :: rG182b = 327 integer, parameter :: rG183b = 328 integer, parameter :: rG184b = 329 integer, parameter :: rG185b = 330 ! Index of third bodies integer, parameter :: mM3 = 1 integer, parameter :: mM5 = 2 integer, parameter :: mM4 = 3 integer, parameter :: mM1 = 4 integer, parameter :: mM7 = 5 integer, parameter :: mM8 = 6 integer, parameter :: mM2 = 7 integer, parameter :: mM9 = 8 contains ! Name of mechanism ! subroutine which_mechanism ! use parallel !implicit none ! if (irank.eq.iroot) print*, 'Using mechanism Spec_29_Reac_355_QSS_11.mech' ! return ! end subroutine which_mechanism ! Subroutine to define groups for post-processing subroutine pp_data implicit none ! Number of species in each group ppn(1) = 1 ppn(2) = 1 ppn(3) = 1 ppn(4) = 1 ppn(5) = 1 ppn(6) = 1 ppn(7) = 1 ppn(8) = 1 ppn(9) = 1 ppn(10) = 1 ppn(11) = 1 ppn(12) = 1 ppn(13) = 1 ppn(14) = 1 ppn(15) = 1 ppn(16) = 1 ppn(17) = 1 ppn(18) = 1 ppn(19) = 1 ppn(20) = 1 ppn(21) = 1 ppn(22) = 1 ppn(23) = 1 ppn(24) = 1 ppn(25) = 1 ppn(26) = 1 ppn(27) = 1 ppn(28) = 1 ppn(29) = 1 ppn(30) = 1 ! 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) = 1 ! Name of group of species ppname(1) = trim(gname(sN2)) ppname(2) = trim(gname(sH)) ppname(3) = trim(gname(sH2)) ppname(4) = trim(gname(sO)) ppname(5) = trim(gname(sOH)) ppname(6) = trim(gname(sO2)) ppname(7) = trim(gname(sH2O2)) ppname(8) = trim(gname(sH2O)) ppname(9) = trim(gname(sHO2)) ppname(10) = trim(gname(sC)) ppname(11) = trim(gname(sCO)) ppname(12) = trim(gname(sCH)) ppname(13) = trim(gname(sHCO)) ppname(14) = trim(gname(sTXCH2)) ppname(15) = trim(gname(sCH3)) ppname(16) = trim(gname(sCH2O)) ppname(17) = trim(gname(sCO2)) ppname(18) = trim(gname(sSXCH2)) ppname(19) = trim(gname(sCH4)) ppname(20) = trim(gname(sC2H3)) ppname(21) = trim(gname(sC2H2)) ppname(22) = trim(gname(sC2H4)) ppname(23) = trim(gname(sC2H5)) ppname(24) = trim(gname(sCH2CO)) ppname(25) = trim(gname(sHCCO)) ppname(26) = trim(gname(sCH3CHO)) ppname(27) = trim(gname(sCH2CHO)) ppname(28) = trim(gname(sC2H5O)) ppname(29) = trim(gname(sC2H6)) ppname(30) = 'N2X' return end subroutine pp_data ! Molar mass subroutine molar_mass implicit none W_sp(sN2) = 0.02802_WP W_sp(sH) = 0.001008_WP W_sp(sH2) = 0.002016_WP W_sp(sO) = 0.016_WP W_sp(sOH) = 0.017008_WP W_sp(sO2) = 0.032_WP W_sp(sH2O2) = 0.034016_WP W_sp(sH2O) = 0.018016_WP W_sp(sHO2) = 0.033008_WP W_sp(sC) = 0.01201_WP W_sp(sCO) = 0.02801_WP W_sp(sCH) = 0.013018_WP W_sp(sHCO) = 0.029018_WP W_sp(sTXCH2) = 0.014026_WP W_sp(sCH3) = 0.015034_WP W_sp(sCH2O) = 0.030026_WP W_sp(sCO2) = 0.04401_WP W_sp(sSXCH2) = 0.014026_WP W_sp(sCH4) = 0.016042_WP W_sp(sC2H3) = 0.027044_WP W_sp(sC2H2) = 0.026036_WP W_sp(sC2H4) = 0.028052_WP W_sp(sC2H5) = 0.02906_WP W_sp(sCH2CO) = 0.042036_WP W_sp(sHCCO) = 0.041028_WP W_sp(sCH3CHO) = 0.044052_WP W_sp(sCH2CHO) = 0.043044_WP W_sp(sC2H5O) = 0.04506_WP W_sp(sC2H6) = 0.030068_WP return end subroutine molar_mass ! Species names subroutine species_name implicit none gname(sN2) = 'N2' gname(sH) = 'H' gname(sH2) = 'H2' gname(sO) = 'O' gname(sOH) = 'OH' gname(sO2) = 'O2' gname(sH2O2) = 'H2O2' gname(sH2O) = 'H2O' gname(sHO2) = 'HO2' gname(sC) = 'C' gname(sCO) = 'CO' gname(sCH) = 'CH' gname(sHCO) = 'HCO' gname(sTXCH2) = 'T-CH2' gname(sCH3) = 'CH3' gname(sCH2O) = 'CH2O' gname(sCO2) = 'CO2' gname(sSXCH2) = 'S-CH2' gname(sCH4) = 'CH4' gname(sC2H3) = 'C2H3' gname(sC2H2) = 'C2H2' gname(sC2H4) = 'C2H4' gname(sC2H5) = 'C2H5' gname(sCH2CO) = 'CH2CO' gname(sHCCO) = 'HCCO' gname(sCH3CHO) = 'CH3CHO' gname(sCH2CHO) = 'CH2CHO' gname(sC2H5O) = 'C2H5O' gname(sC2H6) = 'C2H6' return end subroutine species_name ! Reaction names subroutine reaction_name implicit none rname(r1f) = '1f' 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(r10f) = '10f' rname(r11f) = '11f' rname(r12f) = '12f' rname(r13f) = '13f' rname(r14f) = '14f' rname(r15f) = '15f' rname(r17f) = '17f' rname(r18f) = '18f' rname(r20f) = '20f' rname(r21f) = '21f' rname(r22f) = '22f' rname(r23f) = '23f' rname(r24f) = '24f' rname(r25f) = '25f' rname(rG26f) = 'G26f' rname(rG27f) = 'G27f' rname(rG28f) = 'G28f' rname(rG29f) = 'G29f' rname(rG30f) = 'G30f' rname(rG31f) = 'G31f' rname(rG32f) = 'G32f' rname(rG33f) = 'G33f' rname(rG34f) = 'G34f' rname(rG35f) = 'G35f' rname(rG36) = 'G36' rname(rG37f) = 'G37f' rname(rG38f) = 'G38f' rname(rG40f) = 'G40f' rname(rG41) = 'G41' rname(rG42f) = 'G42f' rname(rG43f) = 'G43f' rname(rG46f) = 'G46f' rname(rG47f) = 'G47f' rname(rG48f) = 'G48f' rname(rG49f) = 'G49f' rname(rG50f) = 'G50f' rname(rG51f) = 'G51f' rname(rG52f) = 'G52f' rname(rG53f) = 'G53f' rname(rG54) = 'G54' rname(rG55f) = 'G55f' rname(rG56) = 'G56' rname(rG57f) = 'G57f' rname(rG58f) = 'G58f' rname(rG59f) = 'G59f' rname(rG60f) = 'G60f' rname(rG61f) = 'G61f' rname(rG62f) = 'G62f' rname(rG63f) = 'G63f' rname(rG64f) = 'G64f' rname(rG65f) = 'G65f' rname(rG66f) = 'G66f' rname(rG67f) = 'G67f' rname(rG68f) = 'G68f' rname(rG69) = 'G69' rname(rG70f) = 'G70f' rname(rG71f) = 'G71f' rname(rG72f) = 'G72f' rname(rG73f) = 'G73f' rname(rG74f) = 'G74f' rname(rG75f) = 'G75f' rname(rG76f) = 'G76f' rname(rG77f) = 'G77f' rname(r78f) = '78f' rname(r79f) = '79f' rname(rG80f) = 'G80f' rname(rG81f) = 'G81f' rname(r82f) = '82f' rname(r83f) = '83f' rname(r84f) = '84f' rname(r85f) = '85f' rname(rG86f) = 'G86f' rname(rG87f) = 'G87f' rname(r88f) = '88f' rname(r89f) = '89f' rname(r90f) = '90f' rname(r91f) = '91f' rname(rG92f) = 'G92f' rname(r93f) = '93f' rname(r94f) = '94f' rname(rG95f) = 'G95f' rname(rG96f) = 'G96f' rname(rG97f) = 'G97f' rname(rG98f) = 'G98f' rname(rG99f) = 'G99f' rname(rG100f) = 'G100f' rname(rG101f) = 'G101f' rname(r102f) = '102f' rname(rG103f) = 'G103f' rname(rG104f) = 'G104f' rname(rG105f) = 'G105f' rname(rG106f) = 'G106f' rname(rG107f) = 'G107f' rname(rG108f) = 'G108f' rname(rG109f) = 'G109f' rname(rG110f) = 'G110f' rname(rG111f) = 'G111f' rname(rG112f) = 'G112f' rname(rG113f) = 'G113f' rname(rG114f) = 'G114f' rname(rR116f) = 'R116f' rname(rG117f) = 'G117f' rname(rG119f) = 'G119f' rname(rR120f) = 'R120f' rname(rG121f) = 'G121f' rname(rG122f) = 'G122f' rname(rG123f) = 'G123f' rname(rR124) = 'R124' rname(rG125f) = 'G125f' rname(rG126f) = 'G126f' rname(rG127f) = 'G127f' rname(rG128f) = 'G128f' rname(rR129f) = 'R129f' rname(rG130f) = 'G130f' rname(rG131f) = 'G131f' rname(rR132f) = 'R132f' rname(rG133f) = 'G133f' rname(rR134f) = 'R134f' rname(rG135f) = 'G135f' rname(rG136f) = 'G136f' rname(rG137f) = 'G137f' rname(rR139f) = 'R139f' rname(rG140f) = 'G140f' rname(rG141f) = 'G141f' rname(rG142f) = 'G142f' rname(rG143f) = 'G143f' rname(rG144f) = 'G144f' rname(rR145f) = 'R145f' rname(rG146f) = 'G146f' rname(rG147f) = 'G147f' rname(rG149f) = 'G149f' rname(rG151f) = 'G151f' rname(rR154f) = 'R154f' rname(rG155f) = 'G155f' rname(rG156f) = 'G156f' rname(rR157f) = 'R157f' rname(rG158f) = 'G158f' rname(rR159f) = 'R159f' rname(rG160f) = 'G160f' rname(rR161f) = 'R161f' rname(rG162f) = 'G162f' rname(rG163f) = 'G163f' rname(rR164f) = 'R164f' rname(rG166f) = 'G166f' rname(rG167f) = 'G167f' rname(rG168f) = 'G168f' rname(rG169f) = 'G169f' rname(rG170) = 'G170' rname(rG171f) = 'G171f' rname(rG172) = 'G172' rname(rG173f) = 'G173f' rname(rG174) = 'G174' rname(rG175) = 'G175' rname(rG176) = 'G176' rname(rG177f) = 'G177f' rname(rG178) = 'G178' rname(rG179f) = 'G179f' rname(rG180) = 'G180' rname(rG181) = 'G181' rname(rG182f) = 'G182f' rname(rG183f) = 'G183f' rname(rG184f) = 'G184f' rname(rG185f) = 'G185f' rname(r1b) = '1b' 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(r10b) = '10b' rname(r11b) = '11b' rname(r12b) = '12b' rname(r13b) = '13b' rname(r14b) = '14b' rname(r15b) = '15b' rname(r17b) = '17b' rname(r18b) = '18b' rname(r20b) = '20b' rname(r21b) = '21b' rname(r22b) = '22b' rname(r23b) = '23b' rname(r24b) = '24b' rname(r25b) = '25b' rname(rG26b) = 'G26b' rname(rG27b) = 'G27b' rname(rG28b) = 'G28b' rname(rG29b) = 'G29b' rname(rG30b) = 'G30b' rname(rG31b) = 'G31b' rname(rG32b) = 'G32b' rname(rG33b) = 'G33b' rname(rG34b) = 'G34b' rname(rG35b) = 'G35b' rname(rG37b) = 'G37b' rname(rG38b) = 'G38b' rname(rG40b) = 'G40b' rname(rG42b) = 'G42b' rname(rG43b) = 'G43b' rname(rG46b) = 'G46b' rname(rG47b) = 'G47b' rname(rG48b) = 'G48b' rname(rG49b) = 'G49b' rname(rG50b) = 'G50b' rname(rG51b) = 'G51b' rname(rG52b) = 'G52b' rname(rG53b) = 'G53b' rname(rG55b) = 'G55b' rname(rG57b) = 'G57b' rname(rG58b) = 'G58b' rname(rG59b) = 'G59b' rname(rG60b) = 'G60b' rname(rG61b) = 'G61b' rname(rG62b) = 'G62b' rname(rG63b) = 'G63b' rname(rG64b) = 'G64b' rname(rG65b) = 'G65b' rname(rG66b) = 'G66b' rname(rG67b) = 'G67b' rname(rG68b) = 'G68b' rname(rG70b) = 'G70b' rname(rG71b) = 'G71b' rname(rG72b) = 'G72b' rname(rG73b) = 'G73b' rname(rG74b) = 'G74b' rname(rG75b) = 'G75b' rname(rG76b) = 'G76b' rname(rG77b) = 'G77b' rname(r78b) = '78b' rname(r79b) = '79b' rname(rG80b) = 'G80b' rname(rG81b) = 'G81b' rname(r82b) = '82b' rname(r83b) = '83b' rname(r84b) = '84b' rname(r85b) = '85b' rname(rG86b) = 'G86b' rname(rG87b) = 'G87b' rname(r88b) = '88b' rname(r89b) = '89b' rname(r90b) = '90b' rname(r91b) = '91b' rname(rG92b) = 'G92b' rname(r93b) = '93b' rname(r94b) = '94b' rname(rG95b) = 'G95b' rname(rG96b) = 'G96b' rname(rG97b) = 'G97b' rname(rG98b) = 'G98b' rname(rG99b) = 'G99b' rname(rG100b) = 'G100b' rname(rG101b) = 'G101b' rname(r102b) = '102b' rname(rG103b) = 'G103b' rname(rG104b) = 'G104b' rname(rG105b) = 'G105b' rname(rG106b) = 'G106b' rname(rG107b) = 'G107b' rname(rG108b) = 'G108b' rname(rG109b) = 'G109b' rname(rG110b) = 'G110b' rname(rG111b) = 'G111b' rname(rG112b) = 'G112b' rname(rG113b) = 'G113b' rname(rG114b) = 'G114b' rname(rR116b) = 'R116b' rname(rG117b) = 'G117b' rname(rG119b) = 'G119b' rname(rR120b) = 'R120b' rname(rG121b) = 'G121b' rname(rG122b) = 'G122b' rname(rG123b) = 'G123b' rname(rG125b) = 'G125b' rname(rG126b) = 'G126b' rname(rG127b) = 'G127b' rname(rG128b) = 'G128b' rname(rR129b) = 'R129b' rname(rG130b) = 'G130b' rname(rG131b) = 'G131b' rname(rR132b) = 'R132b' rname(rG133b) = 'G133b' rname(rR134b) = 'R134b' rname(rG135b) = 'G135b' rname(rG136b) = 'G136b' rname(rG137b) = 'G137b' rname(rR139b) = 'R139b' rname(rG140b) = 'G140b' rname(rG141b) = 'G141b' rname(rG142b) = 'G142b' rname(rG143b) = 'G143b' rname(rG144b) = 'G144b' rname(rR145b) = 'R145b' rname(rG146b) = 'G146b' rname(rG147b) = 'G147b' rname(rG149b) = 'G149b' rname(rG151b) = 'G151b' rname(rR154b) = 'R154b' rname(rG155b) = 'G155b' rname(rG156b) = 'G156b' rname(rR157b) = 'R157b' rname(rG158b) = 'G158b' rname(rR159b) = 'R159b' rname(rG160b) = 'G160b' rname(rR161b) = 'R161b' rname(rG162b) = 'G162b' rname(rG163b) = 'G163b' rname(rR164b) = 'R164b' rname(rG166b) = 'G166b' rname(rG167b) = 'G167b' rname(rG168b) = 'G168b' rname(rG169b) = 'G169b' rname(rG171b) = 'G171b' rname(rG173b) = 'G173b' rname(rG177b) = 'G177b' rname(rG179b) = 'G179b' rname(rG182b) = 'G182b' rname(rG183b) = 'G183b' rname(rG184b) = 'G184b' rname(rG185b) = 'G185b' return end subroutine reaction_name ! List of QSS species subroutine QSS_list implicit none iqss(sN2) = 0 iqss(sH) = 0 iqss(sH2) = 0 iqss(sO) = 0 iqss(sOH) = 0 iqss(sO2) = 0 iqss(sH2O2) = 0 iqss(sH2O) = 0 iqss(sHO2) = 0 iqss(sC) = 1 iqss(sCO) = 0 iqss(sCH) = 1 iqss(sHCO) = 1 iqss(sTXCH2) = 1 iqss(sCH3) = 0 iqss(sCH2O) = 0 iqss(sCO2) = 0 iqss(sSXCH2) = 1 iqss(sCH4) = 0 iqss(sC2H3) = 1 iqss(sC2H2) = 0 iqss(sC2H4) = 0 iqss(sC2H5) = 1 iqss(sCH2CO) = 0 iqss(sHCCO) = 1 iqss(sCH3CHO) = 1 iqss(sCH2CHO) = 1 iqss(sC2H5O) = 1 iqss(sC2H6) = 0 return end subroutine QSS_list ! Subroutine for pressure dependent coefficients real(WP) function getlindratecoeff (Tloc,k0,kinf,fc,concin,Ploc) implicit none real(WP) :: Tloc,k0,kinf,fc,Ploc real(WP), parameter :: R = 8.31434_WP real(WP) :: ntmp,ccoeff,dcoeff,lgknull real(WP) :: f real(WP) :: conc, concin if (concin.gt.0.0_WP) then conc = concin else conc = Ploc / ( R * Tloc ) end if ntmp = 0.75_WP - 1.27_WP * dlog10( fc ) ccoeff = - 0.4_WP - 0.67_WP * dlog10( fc ) dcoeff = 0.14_WP k0 = k0 * conc / max(kinf, 1.0e-60_WP) lgknull = dlog10(k0) f = (lgknull+ccoeff)/(ntmp-dcoeff*(lgknull+ccoeff)) f = fc**(1.0_WP / ( f * f + 1.0_WP )) getlindratecoeff = kinf * f * k0 / ( 1.0_WP + k0 ) end function getlindratecoeff end module mechanism subroutine TEST(P, T, Y, WDOT) use mechanism implicit none real(WP), dimension(nspec) :: Y,c,WDOT real(WP), dimension(nspec + nqss) :: H,dH,Cp real(WP), dimension(nqss) :: cqss real(WP), dimension(nreac) :: w,k real(WP), dimension(9) :: m real(WP) :: T,P CALL compute_thermodata(H,Cp,dH,T) CALL YtoC(c,P,T,Y) 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) CALL get_production_rates(WDOT,w) return end subroutine TEST subroutine YtoC(c,P,T,Y) use mechanism implicit none real(WP), dimension(nspec) :: c,Y real(WP) :: bla, P, T integer :: K call molar_mass c(sN2) = Y(sN2) / W_sp(sN2) c(sH) = Y(sH) / W_sp(sH) c(sH2) = Y(sH2) / W_sp(sH2) c(sO) = Y(sO) / W_sp(sO) c(sOH) = Y(sOH) / W_sp(sOH) c(sO2) = Y(sO2) / W_sp(sO2) c(sH2O2) = Y(sH2O2) / W_sp(sH2O2) c(sH2O) = Y(sH2O) / W_sp(sH2O) c(sHO2) = Y(sHO2) / W_sp(sHO2) !c(sC) = Y(sC) / W_sp(sC) c(sCO) = Y(sCO) / W_sp(sCO) !c(sCH) = Y(sCH) / W_sp(sCH) !c(sHCO) = Y(sHCO) / W_sp(sHCO) !c(sTXCH2) = Y(sTXCH2) / W_sp(sTXCH2) c(sCH3) = Y(sCH3) / W_sp(sCH3) c(sCH2O) = Y(sCH2O) / W_sp(sCH2O) c(sCO2) = Y(sCO2) / W_sp(sCO2) !c(sSXCH2) = Y(sSXCH2) / W_sp(sSXCH2) c(sCH4) = Y(sCH4) / W_sp(sCH4) !c(sC2H3) = Y(sC2H3) / W_sp(sC2H3) c(sC2H2) = Y(sC2H2) / W_sp(sC2H2) c(sC2H4) = Y(sC2H4) / W_sp(sC2H4) !c(sC2H5) = Y(sC2H5) / W_sp(sC2H5) c(sCH2CO) = Y(sCH2CO) / W_sp(sCH2CO) !c(sHCCO) = Y(sHCCO) / W_sp(sHCCO) !c(sCH3CHO) = Y(sCH3CHO) / W_sp(sCH3CHO) !c(sCH2CHO) = Y(sCH2CHO) / W_sp(sCH2CHO) !c(sC2H5O) = Y(sC2H5O) / W_sp(sC2H5O) c(sC2H6) = Y(sC2H6) / W_sp(sC2H6) bla = 0.0_WP DO K = 1, nspec bla = bla + c(K) ENDDO bla = P/(bla*T*8.31451_WP) DO K = 1, nspec c(K) = max(c(K),1.0e-60_WP) * bla ENDDO return end subroutine YtoC ! Subroutine for Cp and H computations subroutine compute_thermodata(H,Cp,dH,T) use mechanism implicit none real(WP), dimension(nspec + nqss) :: H,Cp,dH real(WP) :: T if (T.gt.1000_WP) then H(sN2) = 296.716630977873 * ( T * ((2.92664000e+00_WP) & + T *((0.0007439885_WP) & + T *((-1.89492033333333e-07_WP) & + T *((2.52426e-11_WP) & + T *((-1.3506702e-15_WP)))))) + (-9.22797700e+02_WP)) Cp(sN2) = 296.716630977873 * ((2.92664000e+00_WP) & + T *((1.48797700e-03_WP) & + T *((-5.68476100e-07_WP) & + T *((1.00970400e-10_WP) & + T *(-6.75335100e-15_WP))))) dH(sN2) = 296.716630977873 * ( (2.92664000e+00_WP) & + T *((1.48797700e-03_WP) & + T *((-5.68476100e-07_WP) & + T *((1.00970400e-10_WP) & + T *((-6.75335100e-15_WP))))) ) H(sH) = 8248.01587301587 * ( T * ((2.50000000e+00_WP) & + T *((0_WP) & + T *((0_WP) & + T *((0_WP) & + T *((0_WP)))))) + (2.54716300e+04_WP)) Cp(sH) = 8248.01587301587 * ((2.50000000e+00_WP) & + T *((0.00000000e+00_WP) & + T *((0.00000000e+00_WP) & + T *((0.00000000e+00_WP) & + T *(0.00000000e+00_WP))))) dH(sH) = 8248.01587301587 * ( (2.50000000e+00_WP) & + T *((0.00000000e+00_WP) & + T *((0.00000000e+00_WP) & + T *((0.00000000e+00_WP) & + T *((0.00000000e+00_WP))))) ) H(sH2) = 4124.00793650794 * ( T * ((2.99142300e+00_WP) & + T *((0.0003500322_WP) & + T *((-1.877943e-08_WP) & + T *((-2.3078945e-12_WP) & + T *((3.165504e-16_WP)))))) + (-8.35034000e+02_WP)) Cp(sH2) = 4124.00793650794 * ((2.99142300e+00_WP) & + T *((7.00064400e-04_WP) & + T *((-5.63382900e-08_WP) & + T *((-9.23157800e-12_WP) & + T *(1.58275200e-15_WP))))) dH(sH2) = 4124.00793650794 * ( (2.99142300e+00_WP) & + T *((7.00064400e-04_WP) & + T *((-5.63382900e-08_WP) & + T *((-9.23157800e-12_WP) & + T *((1.58275200e-15_WP))))) ) H(sO) = 519.625 * ( T * ((2.54206000e+00_WP) & + T *((-1.377531e-05_WP) & + T *((-1.03426766666667e-09_WP) & + T *((1.13776675e-12_WP) & + T *((-8.736104e-17_WP)))))) + (2.92308000e+04_WP)) Cp(sO) = 519.625 * ((2.54206000e+00_WP) & + T *((-2.75506200e-05_WP) & + T *((-3.10280300e-09_WP) & + T *((4.55106700e-12_WP) & + T *(-4.36805200e-16_WP))))) dH(sO) = 519.625 * ( (2.54206000e+00_WP) & + T *((-2.75506200e-05_WP) & + T *((-3.10280300e-09_WP) & + T *((4.55106700e-12_WP) & + T *((-4.36805200e-16_WP))))) ) H(sOH) = 488.828786453434 * ( T * ((2.86472886e+00_WP) & + T *((0.00052825224_WP) & + T *((-8.63609193333333e-08_WP) & + T *((7.63046685e-12_WP) & + T *((-2.66391752e-16_WP)))))) + (3.68362875e+03_WP)) Cp(sOH) = 488.828786453434 * ((2.86472886e+00_WP) & + T *((1.05650448e-03_WP) & + T *((-2.59082758e-07_WP) & + T *((3.05218674e-11_WP) & + T *(-1.33195876e-15_WP))))) dH(sOH) = 488.828786453434 * ( (2.86472886e+00_WP) & + T *((1.05650448e-03_WP) & + T *((-2.59082758e-07_WP) & + T *((3.05218674e-11_WP) & + T *((-1.33195876e-15_WP))))) ) H(sO2) = 259.8125 * ( T * ((3.69757800e+00_WP) & + T *((0.00030675985_WP) & + T *((-4.19614e-08_WP) & + T *((4.4382025e-12_WP) & + T *((-2.27287e-16_WP)))))) + (-1.23393000e+03_WP)) Cp(sO2) = 259.8125 * ((3.69757800e+00_WP) & + T *((6.13519700e-04_WP) & + T *((-1.25884200e-07_WP) & + T *((1.77528100e-11_WP) & + T *(-1.13643500e-15_WP))))) dH(sO2) = 259.8125 * ( (3.69757800e+00_WP) & + T *((6.13519700e-04_WP) & + T *((-1.25884200e-07_WP) & + T *((1.77528100e-11_WP) & + T *((-1.13643500e-15_WP))))) ) H(sH2O2) = 244.414393226717 * ( T * ((4.57316700e+00_WP) & + T *((0.002168068_WP) & + T *((-4.91563e-07_WP) & + T *((5.87226e-11_WP) & + T *((-2.863308e-15_WP)))))) + (-1.80069600e+04_WP)) Cp(sH2O2) = 244.414393226717 * ((4.57316700e+00_WP) & + T *((4.33613600e-03_WP) & + T *((-1.47468900e-06_WP) & + T *((2.34890400e-10_WP) & + T *(-1.43165400e-14_WP))))) dH(sH2O2) = 244.414393226717 * ( (4.57316700e+00_WP) & + T *((4.33613600e-03_WP) & + T *((-1.47468900e-06_WP) & + T *((2.34890400e-10_WP) & + T *((-1.43165400e-14_WP))))) ) H(sH2O) = 461.478685612789 * ( T * ((2.67214600e+00_WP) & + T *((0.0015281465_WP) & + T *((-2.91008666666667e-07_WP) & + T *((3.00249e-11_WP) & + T *((-1.2783236e-15_WP)))))) + (-2.98992100e+04_WP)) Cp(sH2O) = 461.478685612789 * ((2.67214600e+00_WP) & + T *((3.05629300e-03_WP) & + T *((-8.73026000e-07_WP) & + T *((1.20099600e-10_WP) & + T *(-6.39161800e-15_WP))))) dH(sH2O) = 461.478685612789 * ( (2.67214600e+00_WP) & + T *((3.05629300e-03_WP) & + T *((-8.73026000e-07_WP) & + T *((1.20099600e-10_WP) & + T *((-6.39161800e-15_WP))))) ) H(sHO2) = 251.878332525448 * ( T * ((4.01721090e+00_WP) & + T *((0.001119910065_WP) & + T *((-2.11219383333333e-07_WP) & + T *((2.85615925e-11_WP) & + T *((-2.1581707e-15_WP)))))) + (1.11856713e+02_WP)) Cp(sHO2) = 251.878332525448 * ((4.01721090e+00_WP) & + T *((2.23982013e-03_WP) & + T *((-6.33658150e-07_WP) & + T *((1.14246370e-10_WP) & + T *(-1.07908535e-14_WP))))) dH(sHO2) = 251.878332525448 * ( (4.01721090e+00_WP) & + T *((2.23982013e-03_WP) & + T *((-6.33658150e-07_WP) & + T *((1.14246370e-10_WP) & + T *((-1.07908535e-14_WP))))) ) H(sC) = 692.25645295587 * ( T * ((2.49266888e+00_WP) & + T *((2.39944642e-05_WP) & + T *((-2.41445006666667e-08_WP) & + T *((9.357275725e-12_WP) & + T *((-9.74555786e-16_WP)))))) + (8.54512953e+04_WP)) Cp(sC) = 692.25645295587 * ((2.49266888e+00_WP) & + T *((4.79889284e-05_WP) & + T *((-7.24335020e-08_WP) & + T *((3.74291029e-11_WP) & + T *(-4.87277893e-15_WP))))) dH(sC) = 692.25645295587 * ( (2.49266888e+00_WP) & + T *((4.79889284e-05_WP) & + T *((-7.24335020e-08_WP) & + T *((3.74291029e-11_WP) & + T *((-4.87277893e-15_WP))))) ) H(sCO) = 296.822563370225 * ( T * ((3.02507800e+00_WP) & + T *((0.0007213445_WP) & + T *((-1.87694266666667e-07_WP) & + T *((2.5464525e-11_WP) & + T *((-1.3821904e-15_WP)))))) + (-1.42683500e+04_WP)) Cp(sCO) = 296.822563370225 * ((3.02507800e+00_WP) & + T *((1.44268900e-03_WP) & + T *((-5.63082800e-07_WP) & + T *((1.01858100e-10_WP) & + T *(-6.91095200e-15_WP))))) dH(sCO) = 296.822563370225 * ( (3.02507800e+00_WP) & + T *((1.44268900e-03_WP) & + T *((-5.63082800e-07_WP) & + T *((1.01858100e-10_WP) & + T *((-6.91095200e-15_WP))))) ) H(sCH) = 638.654171147642 * ( T * ((2.87846473e+00_WP) & + T *((0.0004854568405_WP) & + T *((4.81485516666667e-08_WP) & + T *((-3.267196225e-11_WP) & + T *((3.52158766e-15_WP)))))) + (7.10124364e+04_WP)) Cp(sCH) = 638.654171147642 * ((2.87846473e+00_WP) & + T *((9.70913681e-04_WP) & + T *((1.44445655e-07_WP) & + T *((-1.30687849e-10_WP) & + T *(1.76079383e-14_WP))))) dH(sCH) = 638.654171147642 * ( (2.87846473e+00_WP) & + T *((9.70913681e-04_WP) & + T *((1.44445655e-07_WP) & + T *((-1.30687849e-10_WP) & + T *((1.76079383e-14_WP))))) ) H(sHCO) = 286.5118202495 * ( T * ((2.77217438e+00_WP) & + T *((0.00247847763_WP) & + T *((-8.28152043333333e-07_WP) & + T *((1.472904445e-10_WP) & + T *((-1.067017422e-14_WP)))))) + (4.01191815e+03_WP)) Cp(sHCO) = 286.5118202495 * ((2.77217438e+00_WP) & + T *((4.95695526e-03_WP) & + T *((-2.48445613e-06_WP) & + T *((5.89161778e-10_WP) & + T *(-5.33508711e-14_WP))))) dH(sHCO) = 286.5118202495 * ( (2.77217438e+00_WP) & + T *((4.95695526e-03_WP) & + T *((-2.48445613e-06_WP) & + T *((5.89161778e-10_WP) & + T *((-5.33508711e-14_WP))))) ) H(sTXCH2) = 592.756309710538 * ( T * ((2.87410113e+00_WP) & + T *((0.00182819646_WP) & + T *((-4.69648656666667e-07_WP) & + T *((6.504488725e-11_WP) & + T *((-3.75455134e-15_WP)))))) + (4.62636040e+04_WP)) Cp(sTXCH2) = 592.756309710538 * ((2.87410113e+00_WP) & + T *((3.65639292e-03_WP) & + T *((-1.40894597e-06_WP) & + T *((2.60179549e-10_WP) & + T *(-1.87727567e-14_WP))))) dH(sTXCH2) = 592.756309710538 * ( (2.87410113e+00_WP) & + T *((3.65639292e-03_WP) & + T *((-1.40894597e-06_WP) & + T *((2.60179549e-10_WP) & + T *((-1.87727567e-14_WP))))) ) H(sCH3) = 553.013170147665 * ( T * ((2.97812060e+00_WP) & + T *((0.002898926_WP) & + T *((-6.58526666666667e-07_WP) & + T *((7.6824475e-11_WP) & + T *((-3.5834832e-15_WP)))))) + (1.65095130e+04_WP)) Cp(sCH3) = 553.013170147665 * ((2.97812060e+00_WP) & + T *((5.79785200e-03_WP) & + T *((-1.97558000e-06_WP) & + T *((3.07297900e-10_WP) & + T *(-1.79174160e-14_WP))))) dH(sCH3) = 553.013170147665 * ( (2.97812060e+00_WP) & + T *((5.79785200e-03_WP) & + T *((-1.97558000e-06_WP) & + T *((3.07297900e-10_WP) & + T *((-1.79174160e-14_WP))))) ) H(sCH2O) = 276.89335908879 * ( T * ((1.76069008e+00_WP) & + T *((0.00460000041_WP) & + T *((-1.47419604333333e-06_WP) & + T *((2.5160303e-10_WP) & + T *((-1.76771128e-14_WP)))))) + (-1.39958323e+04_WP)) Cp(sCH2O) = 276.89335908879 * ((1.76069008e+00_WP) & + T *((9.20000082e-03_WP) & + T *((-4.42258813e-06_WP) & + T *((1.00641212e-09_WP) & + T *(-8.83855640e-14_WP))))) dH(sCH2O) = 276.89335908879 * ( (1.76069008e+00_WP) & + T *((9.20000082e-03_WP) & + T *((-4.42258813e-06_WP) & + T *((1.00641212e-09_WP) & + T *((-8.83855640e-14_WP))))) ) H(sCO2) = 188.911610997501 * ( T * ((4.45362300e+00_WP) & + T *((0.0015700845_WP) & + T *((-4.26137e-07_WP) & + T *((5.9849925e-11_WP) & + T *((-3.338066e-15_WP)))))) + (-4.89669600e+04_WP)) Cp(sCO2) = 188.911610997501 * ((4.45362300e+00_WP) & + T *((3.14016900e-03_WP) & + T *((-1.27841100e-06_WP) & + T *((2.39399700e-10_WP) & + T *(-1.66903300e-14_WP))))) dH(sCO2) = 188.911610997501 * ( (4.45362300e+00_WP) & + T *((3.14016900e-03_WP) & + T *((-1.27841100e-06_WP) & + T *((2.39399700e-10_WP) & + T *((-1.66903300e-14_WP))))) ) H(sSXCH2) = 592.756309710538 * ( T * ((2.29203842e+00_WP) & + T *((0.002327943185_WP) & + T *((-6.70639823333333e-07_WP) & + T *((1.044765e-10_WP) & + T *((-6.7943273e-15_WP)))))) + (5.09259997e+04_WP)) Cp(sSXCH2) = 592.756309710538 * ((2.29203842e+00_WP) & + T *((4.65588637e-03_WP) & + T *((-2.01191947e-06_WP) & + T *((4.17906000e-10_WP) & + T *(-3.39716365e-14_WP))))) dH(sSXCH2) = 592.756309710538 * ( (2.29203842e+00_WP) & + T *((4.65588637e-03_WP) & + T *((-2.01191947e-06_WP) & + T *((4.17906000e-10_WP) & + T *((-3.39716365e-14_WP))))) ) H(sCH4) = 518.264555541703 * ( T * ((1.65326226e+00_WP) & + T *((0.00501315495_WP) & + T *((-1.10553746e-06_WP) & + T *((1.341207845e-10_WP) & + T *((-6.29393516e-15_WP)))))) + (-1.00095936e+04_WP)) Cp(sCH4) = 518.264555541703 * ((1.65326226e+00_WP) & + T *((1.00263099e-02_WP) & + T *((-3.31661238e-06_WP) & + T *((5.36483138e-10_WP) & + T *(-3.14696758e-14_WP))))) dH(sCH4) = 518.264555541703 * ( (1.65326226e+00_WP) & + T *((1.00263099e-02_WP) & + T *((-3.31661238e-06_WP) & + T *((5.36483138e-10_WP) & + T *((-3.14696758e-14_WP))))) ) H(sC2H3) = 307.424937139476 * ( T * ((3.01672400e+00_WP) & + T *((0.0051651146_WP) & + T *((-1.56027449666667e-06_WP) & + T *((2.5440822e-10_WP) & + T *((-1.725214082e-14_WP)))))) + (3.46128739e+04_WP)) Cp(sC2H3) = 307.424937139476 * ((3.01672400e+00_WP) & + T *((1.03302292e-02_WP) & + T *((-4.68082349e-06_WP) & + T *((1.01763288e-09_WP) & + T *(-8.62607041e-14_WP))))) dH(sC2H3) = 307.424937139476 * ( (3.01672400e+00_WP) & + T *((1.03302292e-02_WP) & + T *((-4.68082349e-06_WP) & + T *((1.01763288e-09_WP) & + T *((-8.62607041e-14_WP))))) ) H(sC2H2) = 319.327085573821 * ( T * ((4.14756964e+00_WP) & + T *((0.00298083332_WP) & + T *((-7.9098284e-07_WP) & + T *((1.1685304275e-10_WP) & + T *((-7.22470426e-15_WP)))))) + (2.59359992e+04_WP)) Cp(sC2H2) = 319.327085573821 * ((4.14756964e+00_WP) & + T *((5.96166664e-03_WP) & + T *((-2.37294852e-06_WP) & + T *((4.67412171e-10_WP) & + T *(-3.61235213e-14_WP))))) dH(sC2H2) = 319.327085573821 * ( (4.14756964e+00_WP) & + T *((5.96166664e-03_WP) & + T *((-2.37294852e-06_WP) & + T *((4.67412171e-10_WP) & + T *((-3.61235213e-14_WP))))) ) H(sC2H4) = 296.378154855269 * ( T * ((2.03611116e+00_WP) & + T *((0.00732270755_WP) & + T *((-2.23692638333333e-06_WP) & + T *((3.680573075e-10_WP) & + T *((-2.51412122e-14_WP)))))) + (4.93988614e+03_WP)) Cp(sC2H4) = 296.378154855269 * ((2.03611116e+00_WP) & + T *((1.46454151e-02_WP) & + T *((-6.71077915e-06_WP) & + T *((1.47222923e-09_WP) & + T *(-1.25706061e-13_WP))))) dH(sC2H4) = 296.378154855269 * ( (2.03611116e+00_WP) & + T *((1.46454151e-02_WP) & + T *((-6.71077915e-06_WP) & + T *((1.47222923e-09_WP) & + T *((-1.25706061e-13_WP))))) ) H(sC2H5) = 286.097728836889 * ( T * ((1.95465642e+00_WP) & + T *((0.0086986361_WP) & + T *((-2.66068889333333e-06_WP) & + T *((4.380442225e-10_WP) & + T *((-2.99283152e-14_WP)))))) + (1.28575200e+04_WP)) Cp(sC2H5) = 286.097728836889 * ((1.95465642e+00_WP) & + T *((1.73972722e-02_WP) & + T *((-7.98206668e-06_WP) & + T *((1.75217689e-09_WP) & + T *(-1.49641576e-13_WP))))) dH(sC2H5) = 286.097728836889 * ( (1.95465642e+00_WP) & + T *((1.73972722e-02_WP) & + T *((-7.98206668e-06_WP) & + T *((1.75217689e-09_WP) & + T *((-1.49641576e-13_WP))))) ) H(sCH2CO) = 197.782852792844 * ( T * ((4.51129732e+00_WP) & + T *((0.004501798725_WP) & + T *((-1.38979878333333e-06_WP) & + T *((2.308364705e-10_WP) & + T *((-1.589676402e-14_WP)))))) + (-7.55105311e+03_WP)) Cp(sCH2CO) = 197.782852792844 * ((4.51129732e+00_WP) & + T *((9.00359745e-03_WP) & + T *((-4.16939635e-06_WP) & + T *((9.23345882e-10_WP) & + T *(-7.94838201e-14_WP))))) dH(sCH2CO) = 197.782852792844 * ( (4.51129732e+00_WP) & + T *((9.00359745e-03_WP) & + T *((-4.16939635e-06_WP) & + T *((9.23345882e-10_WP) & + T *((-7.94838201e-14_WP))))) ) H(sHCCO) = 202.64209807936 * ( T * ((5.62820580e+00_WP) & + T *((0.00204267005_WP) & + T *((-5.31151566666667e-07_WP) & + T *((7.156513e-11_WP) & + T *((-3.8815664e-15_WP)))))) + (1.93272150e+04_WP)) Cp(sHCCO) = 202.64209807936 * ((5.62820580e+00_WP) & + T *((4.08534010e-03_WP) & + T *((-1.59345470e-06_WP) & + T *((2.86260520e-10_WP) & + T *(-1.94078320e-14_WP))))) dH(sHCCO) = 202.64209807936 * ( (5.62820580e+00_WP) & + T *((4.08534010e-03_WP) & + T *((-1.59345470e-06_WP) & + T *((2.86260520e-10_WP) & + T *((-1.94078320e-14_WP))))) ) H(sCH3CHO) = 188.731499137383 * ( T * ((2.68543112e+00_WP) & + T *((0.00884011865_WP) & + T *((-2.88467579666667e-06_WP) & + T *((5.092014725e-10_WP) & + T *((-3.7526187e-14_WP)))))) + (-2.21653701e+04_WP)) Cp(sCH3CHO) = 188.731499137383 * ((2.68543112e+00_WP) & + T *((1.76802373e-02_WP) & + T *((-8.65402739e-06_WP) & + T *((2.03680589e-09_WP) & + T *(-1.87630935e-13_WP))))) dH(sCH3CHO) = 188.731499137383 * ( (2.68543112e+00_WP) & + T *((1.76802373e-02_WP) & + T *((-8.65402739e-06_WP) & + T *((2.03680589e-09_WP) & + T *((-1.87630935e-13_WP))))) ) H(sCH2CHO) = 193.15119412694 * ( T * ((2.42606357e+00_WP) & + T *((0.00862000105_WP) & + T *((-3.25710706333333e-06_WP) & + T *((6.6638918e-10_WP) & + T *((-5.64240156e-14_WP)))))) + (8.33106990e+02_WP)) Cp(sCH2CHO) = 193.15119412694 * ((2.42606357e+00_WP) & + T *((1.72400021e-02_WP) & + T *((-9.77132119e-06_WP) & + T *((2.66555672e-09_WP) & + T *(-2.82120078e-13_WP))))) dH(sCH2CHO) = 193.15119412694 * ( (2.42606357e+00_WP) & + T *((1.72400021e-02_WP) & + T *((-9.77132119e-06_WP) & + T *((2.66555672e-09_WP) & + T *((-2.82120078e-13_WP))))) ) H(sC2H5O) = 184.50954283178 * ( T * ((2.46262349e+00_WP) & + T *((0.01047519795_WP) & + T *((-3.1309725e-06_WP) & + T *((3.911015675e-10_WP) & + T *((0_WP)))))) + (-3.83932658e+03_WP)) Cp(sC2H5O) = 184.50954283178 * ((2.46262349e+00_WP) & + T *((2.09503959e-02_WP) & + T *((-9.39291750e-06_WP) & + T *((1.56440627e-09_WP) & + T *(0.00000000e+00_WP))))) dH(sC2H5O) = 184.50954283178 * ( (2.46262349e+00_WP) & + T *((2.09503959e-02_WP) & + T *((-9.39291750e-06_WP) & + T *((1.56440627e-09_WP) & + T *((0.00000000e+00_WP))))) ) H(sC2H6) = 276.506585073833 * ( T * ((1.07188150e+00_WP) & + T *((0.01084263385_WP) & + T *((-3.3418689e-06_WP) & + T *((5.535300025e-10_WP) & + T *((-3.8000578e-14_WP)))))) + (-1.14263932e+04_WP)) Cp(sC2H6) = 276.506585073833 * ((1.07188150e+00_WP) & + T *((2.16852677e-02_WP) & + T *((-1.00256067e-05_WP) & + T *((2.21412001e-09_WP) & + T *(-1.90002890e-13_WP))))) dH(sC2H6) = 276.506585073833 * ( (1.07188150e+00_WP) & + T *((2.16852677e-02_WP) & + T *((-1.00256067e-05_WP) & + T *((2.21412001e-09_WP) & + T *((-1.90002890e-13_WP))))) ) else H(sN2) = 296.716630977873 * ( T * ((3.29867700e+00_WP) & + T *((0.00070412_WP) & + T *((-1.321074e-06_WP) & + T *((1.41037875e-09_WP) & + T *((-4.88971e-13_WP)))))) + (-1.02090000e+03_WP)) Cp(sN2) = 296.716630977873 * ((3.29867700e+00_WP) & + T *((1.40824000e-03_WP) & + T *((-3.96322200e-06_WP) & + T *((5.64151500e-09_WP) & + T *(-2.44485500e-12_WP))))) dH(sN2) = 296.716630977873 * ( (3.29867700e+00_WP) & + T *((1.40824000e-03_WP) & + T *((-3.96322200e-06_WP) & + T *((5.64151500e-09_WP) & + T *((-2.44485500e-12_WP))))) ) H(sH) = 8248.01587301587 * ( T * ((2.50000000e+00_WP) & + T *((0_WP) & + T *((0_WP) & + T *((0_WP) & + T *((0_WP)))))) + (2.54716300e+04_WP)) Cp(sH) = 8248.01587301587 * ((2.50000000e+00_WP) & + T *((0.00000000e+00_WP) & + T *((0.00000000e+00_WP) & + T *((0.00000000e+00_WP) & + T *(0.00000000e+00_WP))))) dH(sH) = 8248.01587301587 * ( (2.50000000e+00_WP) & + T *((0.00000000e+00_WP) & + T *((0.00000000e+00_WP) & + T *((0.00000000e+00_WP) & + T *((0.00000000e+00_WP))))) ) H(sH2) = 4124.00793650794 * ( T * ((3.29812400e+00_WP) & + T *((0.0004124721_WP) & + T *((-2.71433833333333e-07_WP) & + T *((-2.3688585e-11_WP) & + T *((8.269744e-14_WP)))))) + (-1.01252100e+03_WP)) Cp(sH2) = 4124.00793650794 * ((3.29812400e+00_WP) & + T *((8.24944200e-04_WP) & + T *((-8.14301500e-07_WP) & + T *((-9.47543400e-11_WP) & + T *(4.13487200e-13_WP))))) dH(sH2) = 4124.00793650794 * ( (3.29812400e+00_WP) & + T *((8.24944200e-04_WP) & + T *((-8.14301500e-07_WP) & + T *((-9.47543400e-11_WP) & + T *((4.13487200e-13_WP))))) ) H(sO) = 519.625 * ( T * ((2.94642900e+00_WP) & + T *((-0.000819083_WP) & + T *((8.07010666666667e-07_WP) & + T *((-4.0071075e-10_WP) & + T *((7.781392e-14_WP)))))) + (2.91476400e+04_WP)) Cp(sO) = 519.625 * ((2.94642900e+00_WP) & + T *((-1.63816600e-03_WP) & + T *((2.42103200e-06_WP) & + T *((-1.60284300e-09_WP) & + T *(3.89069600e-13_WP))))) dH(sO) = 519.625 * ( (2.94642900e+00_WP) & + T *((-1.63816600e-03_WP) & + T *((2.42103200e-06_WP) & + T *((-1.60284300e-09_WP) & + T *((3.89069600e-13_WP))))) ) H(sOH) = 488.828786453434 * ( T * ((4.12530561e+00_WP) & + T *((-0.001612724695_WP) & + T *((2.17588230333333e-06_WP) & + T *((-1.4496341075e-09_WP) & + T *((4.12474758e-13_WP)))))) + (3.34630913e+03_WP)) Cp(sOH) = 488.828786453434 * ((4.12530561e+00_WP) & + T *((-3.22544939e-03_WP) & + T *((6.52764691e-06_WP) & + T *((-5.79853643e-09_WP) & + T *(2.06237379e-12_WP))))) dH(sOH) = 488.828786453434 * ( (4.12530561e+00_WP) & + T *((-3.22544939e-03_WP) & + T *((6.52764691e-06_WP) & + T *((-5.79853643e-09_WP) & + T *((2.06237379e-12_WP))))) ) H(sO2) = 259.8125 * ( T * ((3.21293600e+00_WP) & + T *((0.000563743_WP) & + T *((-1.91871666666667e-07_WP) & + T *((3.2846925e-10_WP) & + T *((-1.7537108e-13_WP)))))) + (-1.00524900e+03_WP)) Cp(sO2) = 259.8125 * ((3.21293600e+00_WP) & + T *((1.12748600e-03_WP) & + T *((-5.75615000e-07_WP) & + T *((1.31387700e-09_WP) & + T *(-8.76855400e-13_WP))))) dH(sO2) = 259.8125 * ( (3.21293600e+00_WP) & + T *((1.12748600e-03_WP) & + T *((-5.75615000e-07_WP) & + T *((1.31387700e-09_WP) & + T *((-8.76855400e-13_WP))))) ) H(sH2O2) = 244.414393226717 * ( T * ((3.38875400e+00_WP) & + T *((0.003284613_WP) & + T *((-4.95004333333333e-08_WP) & + T *((-1.1564515e-09_WP) & + T *((4.94303e-13_WP)))))) + (-1.76631500e+04_WP)) Cp(sH2O2) = 244.414393226717 * ((3.38875400e+00_WP) & + T *((6.56922600e-03_WP) & + T *((-1.48501300e-07_WP) & + T *((-4.62580600e-09_WP) & + T *(2.47151500e-12_WP))))) dH(sH2O2) = 244.414393226717 * ( (3.38875400e+00_WP) & + T *((6.56922600e-03_WP) & + T *((-1.48501300e-07_WP) & + T *((-4.62580600e-09_WP) & + T *((2.47151500e-12_WP))))) ) H(sH2O) = 461.478685612789 * ( T * ((3.38684200e+00_WP) & + T *((0.001737491_WP) & + T *((-2.118232e-06_WP) & + T *((1.74214525e-09_WP) & + T *((-5.013176e-13_WP)))))) + (-3.02081100e+04_WP)) Cp(sH2O) = 461.478685612789 * ((3.38684200e+00_WP) & + T *((3.47498200e-03_WP) & + T *((-6.35469600e-06_WP) & + T *((6.96858100e-09_WP) & + T *(-2.50658800e-12_WP))))) dH(sH2O) = 461.478685612789 * ( (3.38684200e+00_WP) & + T *((3.47498200e-03_WP) & + T *((-6.35469600e-06_WP) & + T *((6.96858100e-09_WP) & + T *((-2.50658800e-12_WP))))) ) H(sHO2) = 251.878332525448 * ( T * ((4.30179801e+00_WP) & + T *((-0.002374560255_WP) & + T *((7.05276303333333e-06_WP) & + T *((-6.06909735e-09_WP) & + T *((1.858450248e-12_WP)))))) + (2.94808040e+02_WP)) Cp(sHO2) = 251.878332525448 * ((4.30179801e+00_WP) & + T *((-4.74912051e-03_WP) & + T *((2.11582891e-05_WP) & + T *((-2.42763894e-08_WP) & + T *(9.29225124e-12_WP))))) dH(sHO2) = 251.878332525448 * ( (4.30179801e+00_WP) & + T *((-4.74912051e-03_WP) & + T *((2.11582891e-05_WP) & + T *((-2.42763894e-08_WP) & + T *((9.29225124e-12_WP))))) ) H(sC) = 692.25645295587 * ( T * ((2.55423955e+00_WP) & + T *((-0.000160768862_WP) & + T *((2.44597415e-07_WP) & + T *((-1.8305872225e-10_WP) & + T *((5.33042892e-14_WP)))))) + (8.54438832e+04_WP)) Cp(sC) = 692.25645295587 * ((2.55423955e+00_WP) & + T *((-3.21537724e-04_WP) & + T *((7.33792245e-07_WP) & + T *((-7.32234889e-10_WP) & + T *(2.66521446e-13_WP))))) dH(sC) = 692.25645295587 * ( (2.55423955e+00_WP) & + T *((-3.21537724e-04_WP) & + T *((7.33792245e-07_WP) & + T *((-7.32234889e-10_WP) & + T *((2.66521446e-13_WP))))) ) H(sCO) = 296.822563370225 * ( T * ((3.26245200e+00_WP) & + T *((0.0007559705_WP) & + T *((-1.29391833333333e-06_WP) & + T *((1.395486e-09_WP) & + T *((-4.949902e-13_WP)))))) + (-1.43105400e+04_WP)) Cp(sCO) = 296.822563370225 * ((3.26245200e+00_WP) & + T *((1.51194100e-03_WP) & + T *((-3.88175500e-06_WP) & + T *((5.58194400e-09_WP) & + T *(-2.47495100e-12_WP))))) dH(sCO) = 296.822563370225 * ( (3.26245200e+00_WP) & + T *((1.51194100e-03_WP) & + T *((-3.88175500e-06_WP) & + T *((5.58194400e-09_WP) & + T *((-2.47495100e-12_WP))))) ) H(sCH) = 638.654171147642 * ( T * ((3.48981665e+00_WP) & + T *((0.0001619177705_WP) & + T *((-5.62996883333333e-07_WP) & + T *((7.905433175e-10_WP) & + T *((-2.81218134e-13_WP)))))) + (7.07972934e+04_WP)) Cp(sCH) = 638.654171147642 * ((3.48981665e+00_WP) & + T *((3.23835541e-04_WP) & + T *((-1.68899065e-06_WP) & + T *((3.16217327e-09_WP) & + T *(-1.40609067e-12_WP))))) dH(sCH) = 638.654171147642 * ( (3.48981665e+00_WP) & + T *((3.23835541e-04_WP) & + T *((-1.68899065e-06_WP) & + T *((3.16217327e-09_WP) & + T *((-1.40609067e-12_WP))))) ) H(sHCO) = 286.5118202495 * ( T * ((4.22118584e+00_WP) & + T *((-0.00162196266_WP) & + T *((4.59331486666667e-06_WP) & + T *((-3.328602325e-09_WP) & + T *((8.6753773e-13_WP)))))) + (3.83956496e+03_WP)) Cp(sHCO) = 286.5118202495 * ((4.22118584e+00_WP) & + T *((-3.24392532e-03_WP) & + T *((1.37799446e-05_WP) & + T *((-1.33144093e-08_WP) & + T *(4.33768865e-12_WP))))) dH(sHCO) = 286.5118202495 * ( (4.22118584e+00_WP) & + T *((-3.24392532e-03_WP) & + T *((1.37799446e-05_WP) & + T *((-1.33144093e-08_WP) & + T *((4.33768865e-12_WP))))) ) H(sTXCH2) = 592.756309710538 * ( T * ((3.76267867e+00_WP) & + T *((0.0004844360715_WP) & + T *((9.31632803333333e-07_WP) & + T *((-9.627278825e-10_WP) & + T *((3.37483438e-13_WP)))))) + (4.60040401e+04_WP)) Cp(sTXCH2) = 592.756309710538 * ((3.76267867e+00_WP) & + T *((9.68872143e-04_WP) & + T *((2.79489841e-06_WP) & + T *((-3.85091153e-09_WP) & + T *(1.68741719e-12_WP))))) dH(sTXCH2) = 592.756309710538 * ( (3.76267867e+00_WP) & + T *((9.68872143e-04_WP) & + T *((2.79489841e-06_WP) & + T *((-3.85091153e-09_WP) & + T *((1.68741719e-12_WP))))) ) H(sCH3) = 553.013170147665 * ( T * ((3.65717970e+00_WP) & + T *((0.00106329895_WP) & + T *((1.81946276666667e-06_WP) & + T *((-1.654525075e-09_WP) & + T *((4.9314148e-13_WP)))))) + (1.64227160e+04_WP)) Cp(sCH3) = 553.013170147665 * ((3.65717970e+00_WP) & + T *((2.12659790e-03_WP) & + T *((5.45838830e-06_WP) & + T *((-6.61810030e-09_WP) & + T *(2.46570740e-12_WP))))) dH(sCH3) = 553.013170147665 * ( (3.65717970e+00_WP) & + T *((2.12659790e-03_WP) & + T *((5.45838830e-06_WP) & + T *((-6.61810030e-09_WP) & + T *((2.46570740e-12_WP))))) ) H(sCH2O) = 276.89335908879 * ( T * ((4.79372315e+00_WP) & + T *((-0.004954166845_WP) & + T *((1.24406669333333e-05_WP) & + T *((-9.482131525e-09_WP) & + T *((2.63545304e-12_WP)))))) + (-1.43089567e+04_WP)) Cp(sCH2O) = 276.89335908879 * ((4.79372315e+00_WP) & + T *((-9.90833369e-03_WP) & + T *((3.73220008e-05_WP) & + T *((-3.79285261e-08_WP) & + T *(1.31772652e-11_WP))))) dH(sCH2O) = 276.89335908879 * ( (4.79372315e+00_WP) & + T *((-9.90833369e-03_WP) & + T *((3.73220008e-05_WP) & + T *((-3.79285261e-08_WP) & + T *((1.31772652e-11_WP))))) ) H(sCO2) = 188.911610997501 * ( T * ((2.27572500e+00_WP) & + T *((0.004961036_WP) & + T *((-3.46970333333333e-06_WP) & + T *((1.71667175e-09_WP) & + T *((-4.23456e-13_WP)))))) + (-4.83731400e+04_WP)) Cp(sCO2) = 188.911610997501 * ((2.27572500e+00_WP) & + T *((9.92207200e-03_WP) & + T *((-1.04091100e-05_WP) & + T *((6.86668700e-09_WP) & + T *(-2.11728000e-12_WP))))) dH(sCO2) = 188.911610997501 * ( (2.27572500e+00_WP) & + T *((9.92207200e-03_WP) & + T *((-1.04091100e-05_WP) & + T *((6.86668700e-09_WP) & + T *((-2.11728000e-12_WP))))) ) H(sSXCH2) = 592.756309710538 * ( T * ((4.19860411e+00_WP) & + T *((-0.001183307095_WP) & + T *((2.74432073333333e-06_WP) & + T *((-1.6720399525e-09_WP) & + T *((3.88629474e-13_WP)))))) + (5.04968163e+04_WP)) Cp(sSXCH2) = 592.756309710538 * ((4.19860411e+00_WP) & + T *((-2.36661419e-03_WP) & + T *((8.23296220e-06_WP) & + T *((-6.68815981e-09_WP) & + T *(1.94314737e-12_WP))))) dH(sSXCH2) = 592.756309710538 * ( (4.19860411e+00_WP) & + T *((-2.36661419e-03_WP) & + T *((8.23296220e-06_WP) & + T *((-6.68815981e-09_WP) & + T *((1.94314737e-12_WP))))) ) H(sCH4) = 518.264555541703 * ( T * ((5.14911468e+00_WP) & + T *((-0.00683110045_WP) & + T *((1.63817973666667e-05_WP) & + T *((-1.2106169175e-08_WP) & + T *((3.33206882e-12_WP)))))) + (-1.02465983e+04_WP)) Cp(sCH4) = 518.264555541703 * ((5.14911468e+00_WP) & + T *((-1.36622009e-02_WP) & + T *((4.91453921e-05_WP) & + T *((-4.84246767e-08_WP) & + T *(1.66603441e-11_WP))))) dH(sCH4) = 518.264555541703 * ( (5.14911468e+00_WP) & + T *((-1.36622009e-02_WP) & + T *((4.91453921e-05_WP) & + T *((-4.84246767e-08_WP) & + T *((1.66603441e-11_WP))))) ) H(sC2H3) = 307.424937139476 * ( T * ((3.21246645e+00_WP) & + T *((0.00075739581_WP) & + T *((8.64031373333333e-06_WP) & + T *((-8.941446175e-09_WP) & + T *((2.94301746e-12_WP)))))) + (3.48598468e+04_WP)) Cp(sC2H3) = 307.424937139476 * ((3.21246645e+00_WP) & + T *((1.51479162e-03_WP) & + T *((2.59209412e-05_WP) & + T *((-3.57657847e-08_WP) & + T *(1.47150873e-11_WP))))) dH(sC2H3) = 307.424937139476 * ( (3.21246645e+00_WP) & + T *((1.51479162e-03_WP) & + T *((2.59209412e-05_WP) & + T *((-3.57657847e-08_WP) & + T *((1.47150873e-11_WP))))) ) H(sC2H2) = 319.327085573821 * ( T * ((8.08681094e-01_WP) & + T *((0.01168078145_WP) & + T *((-1.18390605e-05_WP) & + T *((7.003810925e-09_WP) & + T *((-1.700145948e-12_WP)))))) + (2.64289807e+04_WP)) Cp(sC2H2) = 319.327085573821 * ((8.08681094e-01_WP) & + T *((2.33615629e-02_WP) & + T *((-3.55171815e-05_WP) & + T *((2.80152437e-08_WP) & + T *(-8.50072974e-12_WP))))) dH(sC2H2) = 319.327085573821 * ( (8.08681094e-01_WP) & + T *((2.33615629e-02_WP) & + T *((-3.55171815e-05_WP) & + T *((2.80152437e-08_WP) & + T *((-8.50072974e-12_WP))))) ) H(sC2H4) = 296.378154855269 * ( T * ((3.95920148e+00_WP) & + T *((-0.003785261235_WP) & + T *((1.90330097333333e-05_WP) & + T *((-1.7289718825e-08_WP) & + T *((5.39768746e-12_WP)))))) + (5.08977593e+03_WP)) Cp(sC2H4) = 296.378154855269 * ((3.95920148e+00_WP) & + T *((-7.57052247e-03_WP) & + T *((5.70990292e-05_WP) & + T *((-6.91588753e-08_WP) & + T *(2.69884373e-11_WP))))) dH(sC2H4) = 296.378154855269 * ( (3.95920148e+00_WP) & + T *((-7.57052247e-03_WP) & + T *((5.70990292e-05_WP) & + T *((-6.91588753e-08_WP) & + T *((2.69884373e-11_WP))))) ) H(sC2H5) = 286.097728836889 * ( T * ((4.30646568e+00_WP) & + T *((-0.00209329446_WP) & + T *((1.65714269e-05_WP) & + T *((-1.497816515e-08_WP) & + T *((4.61018008e-12_WP)))))) + (1.28416265e+04_WP)) Cp(sC2H5) = 286.097728836889 * ((4.30646568e+00_WP) & + T *((-4.18658892e-03_WP) & + T *((4.97142807e-05_WP) & + T *((-5.99126606e-08_WP) & + T *(2.30509004e-11_WP))))) dH(sC2H5) = 286.097728836889 * ( (4.30646568e+00_WP) & + T *((-4.18658892e-03_WP) & + T *((4.97142807e-05_WP) & + T *((-5.99126606e-08_WP) & + T *((2.30509004e-11_WP))))) ) H(sCH2CO) = 197.782852792844 * ( T * ((2.13583630e+00_WP) & + T *((0.00905943605_WP) & + T *((-5.79824913333333e-06_WP) & + T *((2.33599392e-09_WP) & + T *((-4.0291523e-13_WP)))))) + (-7.04291804e+03_WP)) Cp(sCH2CO) = 197.782852792844 * ((2.13583630e+00_WP) & + T *((1.81188721e-02_WP) & + T *((-1.73947474e-05_WP) & + T *((9.34397568e-09_WP) & + T *(-2.01457615e-12_WP))))) dH(sCH2CO) = 197.782852792844 * ( (2.13583630e+00_WP) & + T *((1.81188721e-02_WP) & + T *((-1.73947474e-05_WP) & + T *((9.34397568e-09_WP) & + T *((-2.01457615e-12_WP))))) ) H(sHCCO) = 202.64209807936 * ( T * ((2.25172140e+00_WP) & + T *((0.0088275105_WP) & + T *((-7.90970033333333e-06_WP) & + T *((4.31893975e-09_WP) & + T *((-1.01329622e-12_WP)))))) + (2.00594490e+04_WP)) Cp(sHCCO) = 202.64209807936 * ((2.25172140e+00_WP) & + T *((1.76550210e-02_WP) & + T *((-2.37291010e-05_WP) & + T *((1.72757590e-08_WP) & + T *(-5.06648110e-12_WP))))) dH(sHCCO) = 202.64209807936 * ( (2.25172140e+00_WP) & + T *((1.76550210e-02_WP) & + T *((-2.37291010e-05_WP) & + T *((1.72757590e-08_WP) & + T *((-5.06648110e-12_WP))))) ) H(sCH3CHO) = 188.731499137383 * ( T * ((1.40653856e+00_WP) & + T *((0.0108492219_WP) & + T *((-4.91910883333333e-06_WP) & + T *((1.826088695e-09_WP) & + T *((-4.18238934e-13_WP)))))) + (-2.17973223e+04_WP)) Cp(sCH3CHO) = 188.731499137383 * ((1.40653856e+00_WP) & + T *((2.16984438e-02_WP) & + T *((-1.47573265e-05_WP) & + T *((7.30435478e-09_WP) & + T *(-2.09119467e-12_WP))))) dH(sCH3CHO) = 188.731499137383 * ( (1.40653856e+00_WP) & + T *((2.16984438e-02_WP) & + T *((-1.47573265e-05_WP) & + T *((7.30435478e-09_WP) & + T *((-2.09119467e-12_WP))))) ) H(sCH2CHO) = 193.15119412694 * ( T * ((1.09685733e+00_WP) & + T *((0.0110114398_WP) & + T *((-4.81944813333333e-06_WP) & + T *((7.51948945e-10_WP) & + T *((1.217985754e-13_WP)))))) + (1.06943322e+03_WP)) Cp(sCH2CHO) = 193.15119412694 * ((1.09685733e+00_WP) & + T *((2.20228796e-02_WP) & + T *((-1.44583444e-05_WP) & + T *((3.00779578e-09_WP) & + T *(6.08992877e-13_WP))))) dH(sCH2CHO) = 193.15119412694 * ( (1.09685733e+00_WP) & + T *((2.20228796e-02_WP) & + T *((-1.44583444e-05_WP) & + T *((3.00779578e-09_WP) & + T *((6.08992877e-13_WP))))) ) H(sC2H5O) = 184.50954283178 * ( T * ((4.94420708e-01_WP) & + T *((0.0135887217_WP) & + T *((-5.53030033333333e-06_WP) & + T *((1.2880105e-09_WP) & + T *((-1.29699383e-13_WP)))))) + (-3.35252925e+03_WP)) Cp(sC2H5O) = 184.50954283178 * ((4.94420708e-01_WP) & + T *((2.71774434e-02_WP) & + T *((-1.65909010e-05_WP) & + T *((5.15204200e-09_WP) & + T *(-6.48496915e-13_WP))))) dH(sC2H5O) = 184.50954283178 * ( (4.94420708e-01_WP) & + T *((2.71774434e-02_WP) & + T *((-1.65909010e-05_WP) & + T *((5.15204200e-09_WP) & + T *((-6.48496915e-13_WP))))) ) H(sC2H6) = 276.506585073833 * ( T * ((4.29142492e+00_WP) & + T *((-0.00275077135_WP) & + T *((1.99812762666667e-05_WP) & + T *((-1.7711657125e-08_WP) & + T *((5.37371542e-12_WP)))))) + (-1.15222055e+04_WP)) Cp(sC2H6) = 276.506585073833 * ((4.29142492e+00_WP) & + T *((-5.50154270e-03_WP) & + T *((5.99438288e-05_WP) & + T *((-7.08466285e-08_WP) & + T *(2.68685771e-11_WP))))) dH(sC2H6) = 276.506585073833 * ( (4.29142492e+00_WP) & + T *((-5.50154270e-03_WP) & + T *((5.99438288e-05_WP) & + T *((-7.08466285e-08_WP) & + T *((2.68685771e-11_WP))))) ) end if return end subroutine compute_thermodata ! --- Thirdbodies --- ! subroutine get_thirdbodies(M,c) use mechanism implicit none real(WP), dimension(nspec) :: c real(WP), dimension(9) :: M M(mM3) = (1_WP)*c(sH2) & + (2.6_WP)*c(sCO2) & + (11_WP)*c(sH2O) & + (2_WP)*c(sC2H6) & + (1_WP)*c(sCH4) & + (0.75_WP)*c(sCO) & + sum(c) M(mM5) = (-0.25_WP)*c(sH2) & + (1.18_WP)*c(sCO2) & + (10.89_WP)*c(sH2O) & + (0.0900000000000001_WP)*c(sCO) & + (-0.15_WP)*c(sO2) & + sum(c) M(mM4) = (1.4_WP)*c(sH2) & + (2.6_WP)*c(sCO2) & + (14.4_WP)*c(sH2O) & + (2_WP)*c(sC2H6) & + (1_WP)*c(sCH4) & + (0.75_WP)*c(sCO) & + sum(c) M(mM1) = (2_WP)*c(sC2H6) & + (1_WP)*c(sCH4) & + (-1_WP)*c(sH2) & + (-1_WP)*c(sCO2) & + (-1_WP)*c(sH2O) & + sum(c) M(mM7) = (1_WP)*c(sH2) & + (2.6_WP)*c(sCO2) & + (11_WP)*c(sH2O) & + (2_WP)*c(sC2H6) & + (1_WP)*c(sCH4) & + (0.75_WP)*c(sCO) & + sum(c) M(mM8) = (1_WP)*c(sH2) & + (2.6_WP)*c(sCO2) & + (2_WP)*c(sC2H6) & + (1_WP)*c(sCH4) & + (0.75_WP)*c(sCO) & + (-1_WP)*c(sH2O) & + sum(c) M(mM2) = (1_WP)*c(sH2) & + (2.6_WP)*c(sCO2) & + (5.3_WP)*c(sH2O) & + (2_WP)*c(sC2H6) & + (1_WP)*c(sCH4) & + (0.75_WP)*c(sCO) & + sum(c) M(mM9) = (1_WP)*c(sH2) & + (1_WP)*c(sCO2) & + (5_WP)*c(sH2O) & + (2_WP)*c(sC2H6) & + (2_WP)*c(sCH4) & + (0.5_WP)*c(sCO) & + sum(c) return end subroutine get_thirdbodies ! --- Rate coefficients --- ! subroutine get_rate_coefficients(k,M,Tloc,Ploc) use mechanism implicit none real(WP), dimension(nreac) :: k real(WP), dimension(9) :: M real(WP) :: Tloc,Ploc real(WP) :: k6f_0, k6f_inf, FC6f real(WP) :: k11f_0, k11f_inf, FC11f real(WP) :: kG33f_0, kG33f_inf, FCG33f real(WP) :: kG35f_0, kG35f_inf, FCG35f real(WP) :: kG62f_0, kG62f_inf, FCG62f real(WP) :: kG76f_0, kG76f_inf, FCG76f real(WP) :: kG80f_0, kG80f_inf, FCG80f real(WP) :: kG81f_0, kG81f_inf, FCG81f real(WP) :: k83f_0, k83f_inf, FC83f real(WP) :: kG86f_0, kG86f_inf, FCG86f real(WP) :: kG108f_0, kG108f_inf, FCG108f real(WP) :: kG119f_0, kG119f_inf, FCG119f real(WP) :: kG123f_0, kG123f_inf, FCG123f real(WP) :: kG133f_0, kG133f_inf, FCG133f real(WP) :: kG144f_0, kG144f_inf, FCG144f real(WP) :: k6b_0, k6b_inf, FC6b real(WP) :: k11b_0, k11b_inf, FC11b real(WP) :: kG33b_0, kG33b_inf, FCG33b real(WP) :: kG35b_0, kG35b_inf, FCG35b real(WP) :: kG62b_0, kG62b_inf, FCG62b real(WP) :: kG76b_0, kG76b_inf, FCG76b real(WP) :: kG80b_0, kG80b_inf, FCG80b real(WP) :: kG81b_0, kG81b_inf, FCG81b real(WP) :: k83b_0, k83b_inf, FC83b real(WP) :: kG86b_0, kG86b_inf, FCG86b real(WP) :: kG108b_0, kG108b_inf, FCG108b real(WP) :: kG119b_0, kG119b_inf, FCG119b real(WP) :: kG123b_0, kG123b_inf, FCG123b real(WP) :: kG133b_0, kG133b_inf, FCG133b real(WP) :: kG144b_0, kG144b_inf, FCG144b ! Rate coefficients k(r1f) = (1.78000000e+06_WP)*Tloc**(-1.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(r2f) = (9.00000000e+04_WP)*Tloc**(-0.600_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(r3f) = (4.59000000e-02_WP)*Tloc**(2.700_WP)* & exp(-(2.619e+04_WP)/(8.314_WP*Tloc)) k(r4f) = (9.43000000e+06_WP)*Tloc**(-1.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(r5f) = (1.20000000e+05_WP)*Tloc**(-1.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k6f_0 = (2.01000000e+05_WP)*Tloc**(-0.580_WP)* & exp(-(-9.590e+03_WP)/(8.314_WP*Tloc)) k6f_inf = (1.11000000e+08_WP)*Tloc**(-0.370_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) FC6f = (2.654e-01_WP)* & exp(-Tloc/(9.400e+01_WP)) + (7.346e-01_WP)* & exp(-Tloc/(1.756e+03_WP)) + (1.000e+00_WP)* & exp(-(5.182e+03_WP)/Tloc) k(r6f) = & getlindratecoeff & (Tloc, k6f_0, k6f_inf, FC6f, M(mM3), Ploc ) k(r7f) = (4.40000000e+10_WP)*Tloc**(-2.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(r8f) = (3.97000000e-02_WP)*Tloc**(2.400_WP)* & exp(-(-8.830e+03_WP)/(8.314_WP*Tloc)) k(r9f) = (1.73000000e+02_WP)*Tloc**(1.510_WP)* & exp(-(1.435e+04_WP)/(8.314_WP*Tloc)) k(r10f) = (5.62000000e+07_WP)*Tloc**(-1.250_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k11f_0 = (6.33000000e+07_WP)*Tloc**(-1.400_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k11f_inf = (5.12000000e+06_WP)*Tloc**(0.440_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) FC11f = (5.000e-01_WP)* & exp(-Tloc/(1.000e-10_WP)) + (5.000e-01_WP)* & exp(-Tloc/(1.000e+10_WP)) + (0.000e+00_WP)* & exp(-(0.000e+00_WP)/Tloc) k(r11f) = & getlindratecoeff & (Tloc, k11f_0, k11f_inf, FC11f, M(mM5), Ploc ) k(r12f) = (2.64000000e+10_WP)*Tloc**(-0.670_WP)* & exp(-(7.130e+04_WP)/(8.314_WP*Tloc)) k(r13f) = (5.92000000e-01_WP)*Tloc**(2.430_WP)* & exp(-(2.238e+05_WP)/(8.314_WP*Tloc)) k(r14f) = (2.38000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(-2.090e+03_WP)/(8.314_WP*Tloc)) k(r15f) = (7.49000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(2.660e+03_WP)/(8.314_WP*Tloc)) k(r17f) = (4.00000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(r18f) = (3.97000000e+06_WP)*Tloc**(0.000_WP)* & exp(-(2.810e+03_WP)/(8.314_WP*Tloc)) k(r20f) = (1.00000000e+10_WP)*Tloc**(0.000_WP)* & exp(-(7.251e+04_WP)/(8.314_WP*Tloc)) k(r21f) = (9.63000000e+00_WP)*Tloc**(2.000_WP)* & exp(-(1.661e+04_WP)/(8.314_WP*Tloc)) k(r22f) = (2.41000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(1.661e+04_WP)/(8.314_WP*Tloc)) k(r23f) = (6.05000000e+00_WP)*Tloc**(2.000_WP)* & exp(-(2.176e+04_WP)/(8.314_WP*Tloc)) k(r24f) = (2.67000000e+35_WP)*Tloc**(-7.000_WP)* & exp(-(1.573e+05_WP)/(8.314_WP*Tloc)) k(r25f) = (2.00000000e+06_WP)*Tloc**(0.000_WP)* & exp(-(1.790e+03_WP)/(8.314_WP*Tloc)) k(rG26f) = (5.80000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(2.410e+03_WP)/(8.314_WP*Tloc)) k(rG27f) = (5.00000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG28f) = (3.00000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG29f) = (1.08000000e+08_WP)*Tloc**(0.000_WP)* & exp(-(1.301e+04_WP)/(8.314_WP*Tloc)) k(rG30f) = (5.70000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG31f) = (6.71000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG32f) = (1.65000000e+08_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) kG33f_0 = (4.82000000e+13_WP)*Tloc**(-2.800_WP)* & exp(-(2.470e+03_WP)/(8.314_WP*Tloc)) kG33f_inf = (1.97000000e+06_WP)*Tloc**(0.430_WP)* & exp(-(-1.550e+03_WP)/(8.314_WP*Tloc)) FCG33f = (4.220e-01_WP)* & exp(-Tloc/(1.220e+02_WP)) + (5.780e-01_WP)* & exp(-Tloc/(2.535e+03_WP)) + (1.000e+00_WP)* & exp(-(9.365e+03_WP)/Tloc) k(rG33f) = & getlindratecoeff & (Tloc, kG33f_0, kG33f_inf, FCG33f, M(mM3), Ploc ) k(rG34f) = (5.71000000e+06_WP)*Tloc**(0.000_WP)* & exp(-(-3.160e+03_WP)/(8.314_WP*Tloc)) kG35f_0 = (1.04000000e+14_WP)*Tloc**(-2.760_WP)* & exp(-(6.690e+03_WP)/(8.314_WP*Tloc)) kG35f_inf = (6.00000000e+08_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) FCG35f = (4.380e-01_WP)* & exp(-Tloc/(9.100e+01_WP)) + (5.620e-01_WP)* & exp(-Tloc/(5.836e+03_WP)) + (1.000e+00_WP)* & exp(-(8.552e+03_WP)/Tloc) k(rG35f) = & getlindratecoeff & (Tloc, kG35f_0, kG35f_inf, FCG35f, M(mM3), Ploc ) k(rG36) = (5.00000000e+06_WP)*Tloc**(0.000_WP)* & exp(-(6.280e+03_WP)/(8.314_WP*Tloc)) k(rG37f) = (2.40000000e+06_WP)*Tloc**(0.000_WP)* & exp(-(6.280e+03_WP)/(8.314_WP*Tloc)) k(rG38f) = (2.00000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG40f) = (2.00000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG41) = (5.80000000e+06_WP)*Tloc**(0.000_WP)* & exp(-(6.280e+03_WP)/(8.314_WP*Tloc)) k(rG42f) = (1.13000000e+01_WP)*Tloc**(2.000_WP)* & exp(-(1.255e+04_WP)/(8.314_WP*Tloc)) k(rG43f) = (8.00000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG46f) = (5.00000000e-01_WP)*Tloc**(2.000_WP)* & exp(-(3.025e+04_WP)/(8.314_WP*Tloc)) k(rG47f) = (3.00000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG48f) = (3.00000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG49f) = (2.80000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG50f) = (1.50000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG51f) = (1.20000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG52f) = (7.00000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG53f) = (1.50000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG54) = (6.82000000e+04_WP)*Tloc**(0.250_WP)* & exp(-(-3.910e+03_WP)/(8.314_WP*Tloc)) k(rG55f) = (3.00000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG56) = (8.00000000e+03_WP)*Tloc**(0.000_WP)* & exp(-(-7.340e+03_WP)/(8.314_WP*Tloc)) k(rG57f) = (2.45000000e-02_WP)*Tloc**(2.470_WP)* & exp(-(2.167e+04_WP)/(8.314_WP*Tloc)) k(rG58f) = (5.87000000e+05_WP)*Tloc**(0.000_WP)* & exp(-(5.791e+04_WP)/(8.314_WP*Tloc)) k(rG59f) = (3.00000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG60f) = (5.06000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG61f) = (5.00000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) kG62f_0 = (3.47000000e+26_WP)*Tloc**(-6.300_WP)* & exp(-(2.123e+04_WP)/(8.314_WP*Tloc)) kG62f_inf = (6.92000000e+07_WP)*Tloc**(0.180_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) FCG62f = (2.170e-01_WP)* & exp(-Tloc/(7.400e+01_WP)) + (7.830e-01_WP)* & exp(-Tloc/(2.941e+03_WP)) + (1.000e+00_WP)* & exp(-(6.964e+03_WP)/Tloc) k(rG62f) = & getlindratecoeff & (Tloc, kG62f_0, kG62f_inf, FCG62f, M(mM9), Ploc ) k(rG63f) = (5.60000000e+01_WP)*Tloc**(1.600_WP)* & exp(-(2.268e+04_WP)/(8.314_WP*Tloc)) k(rG64f) = (1.20000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(-2.390e+03_WP)/(8.314_WP*Tloc)) k(rG65f) = (6.44000000e+11_WP)*Tloc**(-1.340_WP)* & exp(-(5.930e+03_WP)/(8.314_WP*Tloc)) k(rG66f) = (6.84000000e+06_WP)*Tloc**(0.100_WP)* & exp(-(4.435e+04_WP)/(8.314_WP*Tloc)) k(rG67f) = (3.61000000e+06_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG68f) = (1.00000000e+08_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG69) = (3.37000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG70f) = (6.00000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG71f) = (1.60000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(-2.390e+03_WP)/(8.314_WP*Tloc)) k(rG72f) = (1.02000000e+03_WP)*Tloc**(1.500_WP)* & exp(-(3.598e+04_WP)/(8.314_WP*Tloc)) k(rG73f) = (1.00000000e+02_WP)*Tloc**(1.600_WP)* & exp(-(1.305e+04_WP)/(8.314_WP*Tloc)) k(rG74f) = (2.46000000e+00_WP)*Tloc**(2.000_WP)* & exp(-(3.460e+04_WP)/(8.314_WP*Tloc)) k(rG75f) = (6.60000000e+02_WP)*Tloc**(1.620_WP)* & exp(-(4.536e+04_WP)/(8.314_WP*Tloc)) kG76f_0 = (2.69000000e+21_WP)*Tloc**(-5.110_WP)* & exp(-(2.969e+04_WP)/(8.314_WP*Tloc)) kG76f_inf = (8.10000000e+05_WP)*Tloc**(0.500_WP)* & exp(-(1.887e+04_WP)/(8.314_WP*Tloc)) FCG76f = (4.093e-01_WP)* & exp(-Tloc/(2.750e+02_WP)) + (5.907e-01_WP)* & exp(-Tloc/(1.226e+03_WP)) + (1.000e+00_WP)* & exp(-(5.185e+03_WP)/Tloc) k(rG76f) = & getlindratecoeff & (Tloc, kG76f_0, kG76f_inf, FCG76f, M(mM3), Ploc ) k(rG77f) = (9.00000000e+06_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(r78f) = (1.12000000e+06_WP)*Tloc**(0.000_WP)* & exp(-(1.996e+05_WP)/(8.314_WP*Tloc)) k(r79f) = (8.78000000e+04_WP)*Tloc**(0.030_WP)* & exp(-(-7.000e+01_WP)/(8.314_WP*Tloc)) kG80f_0 = (5.07000000e+15_WP)*Tloc**(-3.420_WP)* & exp(-(3.529e+05_WP)/(8.314_WP*Tloc)) kG80f_inf = (4.30000000e+01_WP)*Tloc**(1.500_WP)* & exp(-(3.330e+05_WP)/(8.314_WP*Tloc)) FCG80f = (6.800e-02_WP)* & exp(-Tloc/(1.970e+02_WP)) + (9.320e-01_WP)* & exp(-Tloc/(1.540e+03_WP)) + (1.000e+00_WP)* & exp(-(1.030e+04_WP)/Tloc) k(rG80f) = & getlindratecoeff & (Tloc, kG80f_0, kG80f_inf, FCG80f, M(mM3), Ploc ) kG81f_0 = (2.69000000e+16_WP)*Tloc**(-3.740_WP)* & exp(-(8.100e+03_WP)/(8.314_WP*Tloc)) kG81f_inf = (5.00000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) FCG81f = (4.243e-01_WP)* & exp(-Tloc/(2.370e+02_WP)) + (5.757e-01_WP)* & exp(-Tloc/(1.652e+03_WP)) + (1.000e+00_WP)* & exp(-(5.069e+03_WP)/Tloc) k(rG81f) = & getlindratecoeff & (Tloc, kG81f_0, kG81f_inf, FCG81f, M(mM3), Ploc ) k(r82f) = (8.00000000e+05_WP)*Tloc**(0.140_WP)* & exp(-(3.076e+04_WP)/(8.314_WP*Tloc)) k83f_0 = (1.17000000e+12_WP)*Tloc**(-2.790_WP)* & exp(-(1.754e+04_WP)/(8.314_WP*Tloc)) k83f_inf = (1.36000000e+04_WP)*Tloc**(0.000_WP)* & exp(-(9.980e+03_WP)/(8.314_WP*Tloc)) FC83f = + (1.000e+00_WP)* & exp(-(0.000e+00_WP)/Tloc) k(r83f) = & getlindratecoeff & (Tloc, k83f_0, k83f_inf, FC83f, M(mM7), Ploc ) k(r84f) = (3.01000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(9.623e+04_WP)/(8.314_WP*Tloc)) k(r85f) = (1.20000000e+08_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) kG86f_0 = (2.47000000e+12_WP)*Tloc**(-2.570_WP)* & exp(-(1.780e+03_WP)/(8.314_WP*Tloc)) kG86f_inf = (1.09000000e+06_WP)*Tloc**(0.480_WP)* & exp(-(-1.090e+03_WP)/(8.314_WP*Tloc)) FCG86f = (2.176e-01_WP)* & exp(-Tloc/(2.710e+02_WP)) + (7.824e-01_WP)* & exp(-Tloc/(2.755e+03_WP)) + (1.000e+00_WP)* & exp(-(6.570e+03_WP)/Tloc) k(rG86f) = & getlindratecoeff & (Tloc, kG86f_0, kG86f_inf, FCG86f, M(mM3), Ploc ) k(rG87f) = (5.00000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(r88f) = (1.87000000e+11_WP)*Tloc**(-1.000_WP)* & exp(-(7.113e+04_WP)/(8.314_WP*Tloc)) k(r89f) = (2.24000000e+12_WP)*Tloc**(-1.000_WP)* & exp(-(7.113e+04_WP)/(8.314_WP*Tloc)) k(r90f) = (3.00000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(r91f) = (3.02000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG92f) = (2.65000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(r93f) = (3.00000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(r94f) = (1.20000000e+04_WP)*Tloc**(0.810_WP)* & exp(-(-3.040e+03_WP)/(8.314_WP*Tloc)) k(rG95f) = (5.74000000e+01_WP)*Tloc**(1.900_WP)* & exp(-(1.147e+04_WP)/(8.314_WP*Tloc)) k(rG96f) = (3.90000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(1.481e+04_WP)/(8.314_WP*Tloc)) k(rG97f) = (3.32000000e-03_WP)*Tloc**(2.810_WP)* & exp(-(2.452e+04_WP)/(8.314_WP*Tloc)) k(rG98f) = (3.43000000e+03_WP)*Tloc**(1.180_WP)* & exp(-(-1.870e+03_WP)/(8.314_WP*Tloc)) k(rG99f) = (9.46000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(-2.160e+03_WP)/(8.314_WP*Tloc)) k(rG100f) = (1.00000000e+08_WP)*Tloc**(0.000_WP)* & exp(-(1.674e+05_WP)/(8.314_WP*Tloc)) k(rG101f) = (5.60000000e+00_WP)*Tloc**(2.000_WP)* & exp(-(5.021e+04_WP)/(8.314_WP*Tloc)) k(r102f) = (5.50000000e+08_WP)*Tloc**(-2.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG103f) = (7.00000000e+06_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG104f) = (1.40000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG105f) = (1.90000000e+08_WP)*Tloc**(0.000_WP)* & exp(-(6.607e+04_WP)/(8.314_WP*Tloc)) k(rG106f) = (1.25000000e+01_WP)*Tloc**(2.000_WP)* & exp(-(7.950e+03_WP)/(8.314_WP*Tloc)) k(rG107f) = (1.28000000e+03_WP)*Tloc**(0.730_WP)* & exp(-(1.079e+04_WP)/(8.314_WP*Tloc)) kG108f_0 = (6.34000000e+19_WP)*Tloc**(-4.660_WP)* & exp(-(1.582e+04_WP)/(8.314_WP*Tloc)) kG108f_inf = (1.71000000e+04_WP)*Tloc**(1.270_WP)* & exp(-(1.133e+04_WP)/(8.314_WP*Tloc)) FCG108f = (2.122e-01_WP)* & exp(-Tloc/(-1.021e+04_WP)) + (0.000e+00_WP)* & exp(-Tloc/(1.000e+00_WP)) + (0.000e+00_WP)* & exp(-(1.000e+00_WP)/Tloc) k(rG108f) = & getlindratecoeff & (Tloc, kG108f_0, kG108f_inf, FCG108f, M(mM3), Ploc ) k(rG109f) = (7.53000000e+00_WP)*Tloc**(1.550_WP)* & exp(-(8.810e+03_WP)/(8.314_WP*Tloc)) k(rG110f) = (8.10000000e+00_WP)*Tloc**(2.000_WP)* & exp(-(7.950e+03_WP)/(8.314_WP*Tloc)) k(rG111f) = (5.00000000e+06_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG112f) = (3.03000000e+05_WP)*Tloc**(0.290_WP)* & exp(-(5.000e+01_WP)/(8.314_WP*Tloc)) k(rG113f) = (1.03000000e+07_WP)*Tloc**(0.210_WP)* & exp(-(-1.790e+03_WP)/(8.314_WP*Tloc)) k(rG114f) = (3.00000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rR116f) = (9.03000000e+06_WP)*Tloc**(0.000_WP)* & exp(-(-3.200e+03_WP)/(8.314_WP*Tloc)) k(rG117f) = (4.58000000e+10_WP)*Tloc**(-1.390_WP)* & exp(-(4.250e+03_WP)/(8.314_WP*Tloc)) kG119f_0 = (1.40000000e+18_WP)*Tloc**(-3.860_WP)* & exp(-(1.389e+04_WP)/(8.314_WP*Tloc)) kG119f_inf = (6.08000000e+06_WP)*Tloc**(0.270_WP)* & exp(-(1.170e+03_WP)/(8.314_WP*Tloc)) FCG119f = (2.180e-01_WP)* & exp(-Tloc/(2.075e+02_WP)) + (7.820e-01_WP)* & exp(-Tloc/(2.663e+03_WP)) + (1.000e+00_WP)* & exp(-(6.095e+03_WP)/Tloc) k(rG119f) = & getlindratecoeff & (Tloc, kG119f_0, kG119f_inf, FCG119f, M(mM3), Ploc ) k(rR120f) = (1.21000000e+04_WP)*Tloc**(0.000_WP)* & exp(-(-2.490e+03_WP)/(8.314_WP*Tloc)) k(rG121f) = (1.34000000e+00_WP)*Tloc**(1.610_WP)* & exp(-(-1.610e+03_WP)/(8.314_WP*Tloc)) k(rG122f) = (2.27000000e-01_WP)*Tloc**(2.000_WP)* & exp(-(3.849e+04_WP)/(8.314_WP*Tloc)) kG123f_0 = (2.03000000e+27_WP)*Tloc**(-6.640_WP)* & exp(-(2.414e+04_WP)/(8.314_WP*Tloc)) kG123f_inf = (1.37000000e+03_WP)*Tloc**(1.460_WP)* & exp(-(5.670e+03_WP)/(8.314_WP*Tloc)) FCG123f = (1.569e+00_WP)* & exp(-Tloc/(2.990e+02_WP)) + (-5.690e-01_WP)* & exp(-Tloc/(-9.147e+03_WP)) + (1.000e+00_WP)* & exp(-(1.524e+02_WP)/Tloc) k(rG123f) = & getlindratecoeff & (Tloc, kG123f_0, kG123f_inf, FCG123f, M(mM3), Ploc ) k(rR124) = (4.90000000e+06_WP)*Tloc**(0.420_WP)* & exp(-(3.172e+05_WP)/(8.314_WP*Tloc)) k(rG125f) = (1.31000000e-07_WP)*Tloc**(4.200_WP)* & exp(-(-3.600e+03_WP)/(8.314_WP*Tloc)) k(rG126f) = (3.75000000e+30_WP)*Tloc**(-7.800_WP)* & exp(-(2.954e+04_WP)/(8.314_WP*Tloc)) k(rG127f) = (7.66000000e+03_WP)*Tloc**(0.880_WP)* & exp(-(4.770e+03_WP)/(8.314_WP*Tloc)) k(rG128f) = (3.89000000e+02_WP)*Tloc**(1.360_WP)* & exp(-(3.710e+03_WP)/(8.314_WP*Tloc)) k(rR129f) = (4.22000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(2.598e+05_WP)/(8.314_WP*Tloc)) k(rG130f) = (1.27000000e-01_WP)*Tloc**(2.750_WP)* & exp(-(4.874e+04_WP)/(8.314_WP*Tloc)) k(rG131f) = (7.15000000e-02_WP)*Tloc**(2.470_WP)* & exp(-(3.890e+03_WP)/(8.314_WP*Tloc)) k(rR132f) = (3.00000000e+05_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) kG133f_0 = (1.99000000e+29_WP)*Tloc**(-7.080_WP)* & exp(-(2.797e+04_WP)/(8.314_WP*Tloc)) kG133f_inf = (5.21000000e+11_WP)*Tloc**(-0.990_WP)* & exp(-(6.610e+03_WP)/(8.314_WP*Tloc)) FCG133f = (1.578e-01_WP)* & exp(-Tloc/(1.250e+02_WP)) + (8.422e-01_WP)* & exp(-Tloc/(2.219e+03_WP)) + (1.000e+00_WP)* & exp(-(6.882e+03_WP)/Tloc) k(rG133f) = & getlindratecoeff & (Tloc, kG133f_0, kG133f_inf, FCG133f, M(mM3), Ploc ) k(rR134f) = (3.10000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG135f) = (3.17000000e+07_WP)*Tloc**(0.030_WP)* & exp(-(-1.650e+03_WP)/(8.314_WP*Tloc)) k(rG136f) = (2.00000000e+06_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG137f) = (1.92000000e+01_WP)*Tloc**(1.020_WP)* & exp(-(-8.510e+03_WP)/(8.314_WP*Tloc)) k(rR139f) = (3.00000000e+05_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG140f) = (1.18000000e-02_WP)*Tloc**(2.450_WP)* & exp(-(1.222e+04_WP)/(8.314_WP*Tloc)) k(rG141f) = (4.00000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(-2.300e+03_WP)/(8.314_WP*Tloc)) k(rG142f) = (8.43000000e+08_WP)*Tloc**(0.000_WP)* & exp(-(9.312e+04_WP)/(8.314_WP*Tloc)) k(rG143f) = (3.17000000e-05_WP)*Tloc**(3.800_WP)* & exp(-(1.310e+04_WP)/(8.314_WP*Tloc)) kG144f_0 = (3.72000000e+59_WP)*Tloc**(-13.140_WP)* & exp(-(4.250e+05_WP)/(8.314_WP*Tloc)) kG144f_inf = (1.88000000e+50_WP)*Tloc**(-9.720_WP)* & exp(-(4.491e+05_WP)/(8.314_WP*Tloc)) FCG144f = (6.100e-01_WP)* & exp(-Tloc/(1.000e+02_WP)) + (3.900e-01_WP)* & exp(-Tloc/(1.900e+03_WP)) + (1.000e+00_WP)* & exp(-(6.000e+03_WP)/Tloc) k(rG144f) = & getlindratecoeff & (Tloc, kG144f_0, kG144f_inf, FCG144f, M(mM3), Ploc ) k(rR145f) = (2.61000000e-04_WP)*Tloc**(3.370_WP)* & exp(-(6.658e+04_WP)/(8.314_WP*Tloc)) k(rG146f) = (1.70000000e-01_WP)*Tloc**(2.700_WP)* & exp(-(2.402e+04_WP)/(8.314_WP*Tloc)) k(rG147f) = (1.61000000e+00_WP)*Tloc**(2.220_WP)* & exp(-(3.100e+03_WP)/(8.314_WP*Tloc)) k(rG149f) = (4.20000000e+04_WP)*Tloc**(0.000_WP)* & exp(-(3.570e+03_WP)/(8.314_WP*Tloc)) k(rG151f) = (1.00000000e+08_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rR154f) = (5.00000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG155f) = (1.00000000e+08_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG156f) = (1.50000000e+03_WP)*Tloc**(1.380_WP)* & exp(-(2.570e+03_WP)/(8.314_WP*Tloc)) k(rR157f) = (1.00000000e+06_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG158f) = (1.00000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(3.347e+04_WP)/(8.314_WP*Tloc)) k(rR159f) = (7.50000000e+06_WP)*Tloc**(0.000_WP)* & exp(-(5.439e+04_WP)/(8.314_WP*Tloc)) k(rG160f) = (1.75000000e+06_WP)*Tloc**(0.000_WP)* & exp(-(5.650e+03_WP)/(8.314_WP*Tloc)) k(rR161f) = (9.00000000e+04_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG162f) = (7.50000000e+06_WP)*Tloc**(0.000_WP)* & exp(-(8.370e+03_WP)/(8.314_WP*Tloc)) k(rG163f) = (5.00000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(3.347e+04_WP)/(8.314_WP*Tloc)) k(rR164f) = (3.60000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(4.602e+04_WP)/(8.314_WP*Tloc)) k(rG166f) = (3.17000000e+07_WP)*Tloc**(0.030_WP)* & exp(-(-1.650e+03_WP)/(8.314_WP*Tloc)) k(rG167f) = (1.32000000e+34_WP)*Tloc**(-6.570_WP)* & exp(-(2.069e+05_WP)/(8.314_WP*Tloc)) k(rG168f) = (1.20000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG169f) = (1.10000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG170) = (1.81000000e+04_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG171f) = (6.51000000e+34_WP)*Tloc**(-6.870_WP)* & exp(-(1.975e+05_WP)/(8.314_WP*Tloc)) k(rG172) = (2.35000000e+04_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG173f) = (2.20000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(0.000e+00_WP)/(8.314_WP*Tloc)) k(rG174) = (2.92000000e+06_WP)*Tloc**(0.000_WP)* & exp(-(7.570e+03_WP)/(8.314_WP*Tloc)) k(rG175) = (3.01000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(1.638e+05_WP)/(8.314_WP*Tloc)) k(rG176) = (2.34000000e+04_WP)*Tloc**(0.730_WP)* & exp(-(-4.660e+03_WP)/(8.314_WP*Tloc)) k(rG177f) = (2.05000000e+03_WP)*Tloc**(1.160_WP)* & exp(-(1.006e+04_WP)/(8.314_WP*Tloc)) k(rG178) = (2.05000000e+03_WP)*Tloc**(1.160_WP)* & exp(-(1.006e+04_WP)/(8.314_WP*Tloc)) k(rG179f) = (2.92000000e+06_WP)*Tloc**(0.000_WP)* & exp(-(7.570e+03_WP)/(8.314_WP*Tloc)) k(rG180) = (2.72000000e+00_WP)*Tloc**(1.770_WP)* & exp(-(2.477e+04_WP)/(8.314_WP*Tloc)) k(rG181) = (3.01000000e+06_WP)*Tloc**(0.000_WP)* & exp(-(4.989e+04_WP)/(8.314_WP*Tloc)) k(rG182f) = (1.32000000e+20_WP)*Tloc**(-2.020_WP)* & exp(-(8.682e+04_WP)/(8.314_WP*Tloc)) k(rG183f) = (5.45000000e+15_WP)*Tloc**(-0.690_WP)* & exp(-(9.301e+04_WP)/(8.314_WP*Tloc)) k(rG184f) = (2.29000000e+04_WP)*Tloc**(0.000_WP)* & exp(-(3.660e+03_WP)/(8.314_WP*Tloc)) k(rG185f) = (1.50000000e+07_WP)*Tloc**(0.000_WP)* & exp(-(2.510e+03_WP)/(8.314_WP*Tloc)) k(r1b) = (4.82256768e+11_WP)*Tloc**(-0.67_WP)* & exp(-(4.3317e+05_WP)/(8.314_WP*Tloc)) k(r2b) = (2.43837692e+10_WP)*Tloc**(-0.27_WP)* & exp(-(4.3317e+05_WP)/(8.314_WP*Tloc)) k(r3b) = (2.72600458e-02_WP)*Tloc**(2.66_WP)* & exp(-(2.0431e+04_WP)/(8.314_WP*Tloc)) k(r4b) = (1.51734353e+12_WP)*Tloc**(-0.71_WP)* & exp(-(4.2741e+05_WP)/(8.314_WP*Tloc)) k(r5b) = (9.45854393e+12_WP)*Tloc**(-1.14_WP)* & exp(-(4.9794e+05_WP)/(8.314_WP*Tloc)) k6b_0 = (2.70981366e+17_WP)*Tloc**(-1.77_WP)* & exp(-(2.0517e+05_WP)/(8.314_WP*Tloc)) k6b_inf = (1.49646426e+20_WP)*Tloc**(-1.56_WP)* & exp(-(2.1476e+05_WP)/(8.314_WP*Tloc)) FC6b = (2.654e-01_WP)* & exp(-Tloc/(9.400e+01_WP)) + (7.346e-01_WP)* & exp(-Tloc/(1.756e+03_WP)) + (1.000e+00_WP)* & exp(-(5.182e+03_WP)/Tloc) k(r6b) = & getlindratecoeff & (Tloc, k6b_0, k6b_inf, FC6b, M(mM3), Ploc ) k(r7b) = (1.36750270e+17_WP)*Tloc**(-1.78_WP)* & exp(-(4.9594e+05_WP)/(8.314_WP*Tloc)) k(r8b) = (7.66820648e-01_WP)*Tloc**(2.33_WP)* & exp(-(5.9704e+04_WP)/(8.314_WP*Tloc)) k(r9b) = (1.98455569e+03_WP)*Tloc**(1.40_WP)* & exp(-(7.7125e+04_WP)/(8.314_WP*Tloc)) k(r10b) = (1.52263092e+13_WP)*Tloc**(-0.92_WP)* & exp(-(4.3317e+05_WP)/(8.314_WP*Tloc)) k11b_0 = (1.11671813e+14_WP)*Tloc**(-1.44_WP)* & exp(-(2.0481e+05_WP)/(8.314_WP*Tloc)) k11b_inf = (9.03253846e+12_WP)*Tloc**(0.40_WP)* & exp(-(2.0481e+05_WP)/(8.314_WP*Tloc)) FC11b = (5.000e-01_WP)* & exp(-Tloc/(1.000e-10_WP)) + (5.000e-01_WP)* & exp(-Tloc/(1.000e+10_WP)) + (0.000e+00_WP)* & exp(-(0.000e+00_WP)/Tloc) k(r11b) = & getlindratecoeff & (Tloc, k11b_0, k11b_inf, FC11b, M(mM5), Ploc ) k(r12b) = (5.38930933e+07_WP)*Tloc**(-0.24_WP)* & exp(-(7.7260e+02_WP)/(8.314_WP*Tloc)) k(r13b) = (3.85481230e+00_WP)*Tloc**(2.06_WP)* & exp(-(-4.5586e+03_WP)/(8.314_WP*Tloc)) k(r14b) = (4.19288175e+07_WP)*Tloc**(0.26_WP)* & exp(-(2.8904e+05_WP)/(8.314_WP*Tloc)) k(r15b) = (1.39457979e+04_WP)*Tloc**(0.77_WP)* & exp(-(1.5473e+05_WP)/(8.314_WP*Tloc)) k(r17b) = (3.64831524e+06_WP)*Tloc**(0.33_WP)* & exp(-(2.2260e+05_WP)/(8.314_WP*Tloc)) k(r18b) = (1.42776046e+04_WP)*Tloc**(0.69_WP)* & exp(-(2.2342e+05_WP)/(8.314_WP*Tloc)) k(r20b) = (1.76171502e+10_WP)*Tloc**(0.26_WP)* & exp(-(3.6364e+05_WP)/(8.314_WP*Tloc)) k(r21b) = (6.17296181e-03_WP)*Tloc**(2.72_WP)* & exp(-(7.7190e+04_WP)/(8.314_WP*Tloc)) k(r22b) = (5.55583307e+01_WP)*Tloc**(1.41_WP)* & exp(-(2.9780e+05_WP)/(8.314_WP*Tloc)) k(r23b) = (6.52993386e-03_WP)*Tloc**(2.75_WP)* & exp(-(8.8099e+04_WP)/(8.314_WP*Tloc)) k(r24b) = (3.30584020e+33_WP)*Tloc**(-6.36_WP)* & exp(-(2.8641e+05_WP)/(8.314_WP*Tloc)) k(r25b) = (2.47628479e+04_WP)*Tloc**(0.64_WP)* & exp(-(1.3090e+05_WP)/(8.314_WP*Tloc)) k(rG26b) = (2.76571137e+07_WP)*Tloc**(0.18_WP)* & exp(-(5.7964e+05_WP)/(8.314_WP*Tloc)) k(rG27b) = (1.16793771e+10_WP)*Tloc**(-0.25_WP)* & exp(-(6.4775e+05_WP)/(8.314_WP*Tloc)) k(rG28b) = (7.57254699e+10_WP)*Tloc**(-0.59_WP)* & exp(-(3.7778e+05_WP)/(8.314_WP*Tloc)) k(rG29b) = (1.67559523e+09_WP)*Tloc**(-0.29_WP)* & exp(-(1.6537e+03_WP)/(8.314_WP*Tloc)) k(rG30b) = (3.69441115e+09_WP)*Tloc**(-0.04_WP)* & exp(-(7.3932e+05_WP)/(8.314_WP*Tloc)) k(rG31b) = (3.45758151e+08_WP)*Tloc**(-0.16_WP)* & exp(-(3.0726e+05_WP)/(8.314_WP*Tloc)) k(rG32b) = (7.70887037e+07_WP)*Tloc**(0.25_WP)* & exp(-(9.7323e+04_WP)/(8.314_WP*Tloc)) kG33b_0 = (9.74540126e+22_WP)*Tloc**(-3.29_WP)* & exp(-(4.5553e+05_WP)/(8.314_WP*Tloc)) kG33b_inf = (3.98307894e+15_WP)*Tloc**(-0.06_WP)* & exp(-(4.5151e+05_WP)/(8.314_WP*Tloc)) FCG33b = (4.220e-01_WP)* & exp(-Tloc/(1.220e+02_WP)) + (5.780e-01_WP)* & exp(-Tloc/(2.535e+03_WP)) + (1.000e+00_WP)* & exp(-(9.365e+03_WP)/Tloc) k(rG33b) = & getlindratecoeff & (Tloc, kG33b_0, kG33b_inf, FCG33b, M(mM3), Ploc ) k(rG34b) = (8.98123312e+11_WP)*Tloc**(-0.96_WP)* & exp(-(2.4848e+05_WP)/(8.314_WP*Tloc)) kG35b_0 = (1.35531632e+22_WP)*Tloc**(-2.96_WP)* & exp(-(4.7111e+05_WP)/(8.314_WP*Tloc)) kG35b_inf = (7.81913261e+16_WP)*Tloc**(-0.20_WP)* & exp(-(4.6442e+05_WP)/(8.314_WP*Tloc)) FCG35b = (4.380e-01_WP)* & exp(-Tloc/(9.100e+01_WP)) + (5.620e-01_WP)* & exp(-Tloc/(5.836e+03_WP)) + (1.000e+00_WP)* & exp(-(8.552e+03_WP)/Tloc) k(rG35b) = & getlindratecoeff & (Tloc, kG35b_0, kG35b_inf, FCG35b, M(mM3), Ploc ) k(rG37b) = (5.69786448e+08_WP)*Tloc**(-0.35_WP)* & exp(-(2.6152e+05_WP)/(8.314_WP*Tloc)) k(rG38b) = (2.32595702e+12_WP)*Tloc**(-0.78_WP)* & exp(-(3.2577e+05_WP)/(8.314_WP*Tloc)) k(rG40b) = (4.33075121e+08_WP)*Tloc**(-0.01_WP)* & exp(-(4.7784e+05_WP)/(8.314_WP*Tloc)) k(rG42b) = (8.35507345e+00_WP)*Tloc**(2.18_WP)* & exp(-(8.6682e+04_WP)/(8.314_WP*Tloc)) k(rG43b) = (7.72999558e+09_WP)*Tloc**(-0.34_WP)* & exp(-(3.8338e+05_WP)/(8.314_WP*Tloc)) k(rG46b) = (2.40502173e+02_WP)*Tloc**(1.47_WP)* & exp(-(6.1497e+04_WP)/(8.314_WP*Tloc)) k(rG47b) = (2.10571310e+07_WP)*Tloc**(-0.06_WP)* & exp(-(3.7278e+04_WP)/(8.314_WP*Tloc)) k(rG48b) = (1.35723121e+06_WP)*Tloc**(0.23_WP)* & exp(-(4.8635e+04_WP)/(8.314_WP*Tloc)) k(rG49b) = (6.18631233e-01_WP)*Tloc**(0.29_WP)* & exp(-(2.8426e+05_WP)/(8.314_WP*Tloc)) k(rG50b) = (4.39839485e+07_WP)*Tloc**(0.19_WP)* & exp(-(7.8795e+05_WP)/(8.314_WP*Tloc)) k(rG51b) = (8.24006378e+05_WP)*Tloc**(0.51_WP)* & exp(-(7.8020e+05_WP)/(8.314_WP*Tloc)) k(rG52b) = (2.36333335e+10_WP)*Tloc**(-0.59_WP)* & exp(-(6.8526e+04_WP)/(8.314_WP*Tloc)) k(rG53b) = (1.01732206e+09_WP)*Tloc**(-0.40_WP)* & exp(-(4.2066e+05_WP)/(8.314_WP*Tloc)) k(rG55b) = (2.44889908e+12_WP)*Tloc**(-0.84_WP)* & exp(-(3.6305e+05_WP)/(8.314_WP*Tloc)) k(rG57b) = (7.46889510e-02_WP)*Tloc**(2.65_WP)* & exp(-(9.7207e+04_WP)/(8.314_WP*Tloc)) k(rG58b) = (1.72069490e+05_WP)*Tloc**(0.15_WP)* & exp(-(2.7615e+05_WP)/(8.314_WP*Tloc)) k(rG59b) = (1.73357163e+12_WP)*Tloc**(-1.03_WP)* & exp(-(2.3095e+05_WP)/(8.314_WP*Tloc)) k(rG60b) = (7.26586128e+09_WP)*Tloc**(-0.29_WP)* & exp(-(2.8876e+05_WP)/(8.314_WP*Tloc)) k(rG61b) = (5.92194033e+12_WP)*Tloc**(-1.08_WP)* & exp(-(4.1985e+05_WP)/(8.314_WP*Tloc)) kG62b_0 = (2.65536772e+35_WP)*Tloc**(-6.55_WP)* & exp(-(4.6360e+05_WP)/(8.314_WP*Tloc)) kG62b_inf = (5.29543073e+16_WP)*Tloc**(-0.07_WP)* & exp(-(4.4237e+05_WP)/(8.314_WP*Tloc)) FCG62b = (2.170e-01_WP)* & exp(-Tloc/(7.400e+01_WP)) + (7.830e-01_WP)* & exp(-Tloc/(2.941e+03_WP)) + (1.000e+00_WP)* & exp(-(6.964e+03_WP)/Tloc) k(rG62b) = & getlindratecoeff & (Tloc, kG62b_0, kG62b_inf, FCG62b, M(mM9), Ploc ) k(rG63b) = (1.33553789e+00_WP)*Tloc**(2.02_WP)* & exp(-(5.4208e+04_WP)/(8.314_WP*Tloc)) k(rG64b) = (8.86663280e+13_WP)*Tloc**(-1.31_WP)* & exp(-(3.1073e+05_WP)/(8.314_WP*Tloc)) k(rG65b) = (2.18814507e+10_WP)*Tloc**(-0.86_WP)* & exp(-(1.7956e+02_WP)/(8.314_WP*Tloc)) k(rG66b) = (1.26018534e+12_WP)*Tloc**(-1.10_WP)* & exp(-(7.2398e+03_WP)/(8.314_WP*Tloc)) k(rG67b) = (1.56589465e+09_WP)*Tloc**(-0.21_WP)* & exp(-(2.3756e+05_WP)/(8.314_WP*Tloc)) k(rG68b) = (1.05268766e+15_WP)*Tloc**(-1.25_WP)* & exp(-(2.7585e+05_WP)/(8.314_WP*Tloc)) k(rG70b) = (3.46943915e+12_WP)*Tloc**(-0.96_WP)* & exp(-(2.5529e+05_WP)/(8.314_WP*Tloc)) k(rG71b) = (1.91253793e+06_WP)*Tloc**(-0.01_WP)* & exp(-(5.6938e+04_WP)/(8.314_WP*Tloc)) k(rG72b) = (2.14475258e-01_WP)*Tloc**(2.04_WP)* & exp(-(2.1023e+04_WP)/(8.314_WP*Tloc)) k(rG73b) = (4.06144260e-01_WP)*Tloc**(2.07_WP)* & exp(-(6.6628e+04_WP)/(8.314_WP*Tloc)) k(rG74b) = (4.18935573e-01_WP)*Tloc**(2.05_WP)* & exp(-(5.6650e+04_WP)/(8.314_WP*Tloc)) k(rG75b) = (2.33672211e-01_WP)*Tloc**(2.20_WP)* & exp(-(3.6162e+04_WP)/(8.314_WP*Tloc)) kG76b_0 = (1.16519862e+36_WP)*Tloc**(-6.88_WP)* & exp(-(3.6475e+05_WP)/(8.314_WP*Tloc)) kG76b_inf = (3.50859065e+20_WP)*Tloc**(-1.27_WP)* & exp(-(3.5393e+05_WP)/(8.314_WP*Tloc)) FCG76b = (4.093e-01_WP)* & exp(-Tloc/(2.750e+02_WP)) + (5.907e-01_WP)* & exp(-Tloc/(1.226e+03_WP)) + (1.000e+00_WP)* & exp(-(5.185e+03_WP)/Tloc) k(rG76b) = & getlindratecoeff & (Tloc, kG76b_0, kG76b_inf, FCG76b, M(mM3), Ploc ) k(rG77b) = (6.31713929e+06_WP)*Tloc**(-0.06_WP)* & exp(-(3.7278e+04_WP)/(8.314_WP*Tloc)) k(r78b) = (1.26650544e+10_WP)*Tloc**(-0.85_WP)* & exp(-(2.3651e+05_WP)/(8.314_WP*Tloc)) k(r79b) = (4.86356101e+11_WP)*Tloc**(-1.25_WP)* & exp(-(1.0737e+05_WP)/(8.314_WP*Tloc)) kG80b_0 = (2.27105087e+25_WP)*Tloc**(-4.15_WP)* & exp(-(3.5541e+05_WP)/(8.314_WP*Tloc)) kG80b_inf = (1.92613782e+11_WP)*Tloc**(0.77_WP)* & exp(-(3.3551e+05_WP)/(8.314_WP*Tloc)) FCG80b = (6.800e-02_WP)* & exp(-Tloc/(1.970e+02_WP)) + (9.320e-01_WP)* & exp(-Tloc/(1.540e+03_WP)) + (1.000e+00_WP)* & exp(-(1.030e+04_WP)/Tloc) k(rG80b) = & getlindratecoeff & (Tloc, kG80b_0, kG80b_inf, FCG80b, M(mM3), Ploc ) kG81b_0 = (1.20046178e+29_WP)*Tloc**(-5.18_WP)* & exp(-(3.2074e+05_WP)/(8.314_WP*Tloc)) kG81b_inf = (2.23134159e+20_WP)*Tloc**(-1.44_WP)* & exp(-(3.1264e+05_WP)/(8.314_WP*Tloc)) FCG81b = (4.243e-01_WP)* & exp(-Tloc/(2.370e+02_WP)) + (5.757e-01_WP)* & exp(-Tloc/(1.652e+03_WP)) + (1.000e+00_WP)* & exp(-(5.069e+03_WP)/Tloc) k(rG81b) = & getlindratecoeff & (Tloc, kG81b_0, kG81b_inf, FCG81b, M(mM3), Ploc ) k(r82b) = (4.43149067e+12_WP)*Tloc**(-1.14_WP)* & exp(-(1.3820e+05_WP)/(8.314_WP*Tloc)) k83b_0 = (1.04284062e+24_WP)*Tloc**(-3.78_WP)* & exp(-(5.5239e+05_WP)/(8.314_WP*Tloc)) k83b_inf = (1.21219080e+16_WP)*Tloc**(-0.99_WP)* & exp(-(5.4483e+05_WP)/(8.314_WP*Tloc)) FC83b = + (1.000e+00_WP)* & exp(-(0.000e+00_WP)/Tloc) k(r83b) = & getlindratecoeff & (Tloc, k83b_0, k83b_inf, FC83b, M(mM7), Ploc ) k(r84b) = (3.10447308e+10_WP)*Tloc**(-0.51_WP)* & exp(-(3.5574e+05_WP)/(8.314_WP*Tloc)) k(r85b) = (5.18820345e+06_WP)*Tloc**(0.59_WP)* & exp(-(3.6729e+05_WP)/(8.314_WP*Tloc)) kG86b_0 = (4.78356421e+20_WP)*Tloc**(-2.71_WP)* & exp(-(3.7158e+05_WP)/(8.314_WP*Tloc)) kG86b_inf = (2.11096558e+14_WP)*Tloc**(0.34_WP)* & exp(-(3.6871e+05_WP)/(8.314_WP*Tloc)) FCG86b = (2.176e-01_WP)* & exp(-Tloc/(2.710e+02_WP)) + (7.824e-01_WP)* & exp(-Tloc/(2.755e+03_WP)) + (1.000e+00_WP)* & exp(-(6.570e+03_WP)/Tloc) k(rG86b) = & getlindratecoeff & (Tloc, kG86b_0, kG86b_inf, FCG86b, M(mM3), Ploc ) k(rG87b) = (1.83331159e+22_WP)*Tloc**(-1.62_WP)* & exp(-(3.6550e+05_WP)/(8.314_WP*Tloc)) k(r88b) = (2.98413887e+04_WP)*Tloc**(-0.74_WP)* & exp(-(5.2552e+03_WP)/(8.314_WP*Tloc)) k(r89b) = (3.57458346e+05_WP)*Tloc**(-0.74_WP)* & exp(-(5.2552e+03_WP)/(8.314_WP*Tloc)) k(r90b) = (7.70319519e+05_WP)*Tloc**(0.55_WP)* & exp(-(3.6153e+05_WP)/(8.314_WP*Tloc)) k(r91b) = (1.49782089e+07_WP)*Tloc**(0.48_WP)* & exp(-(4.3007e+05_WP)/(8.314_WP*Tloc)) k(rG92b) = (3.23607437e+09_WP)*Tloc**(0.01_WP)* & exp(-(3.7649e+05_WP)/(8.314_WP*Tloc)) k(r93b) = (4.26707970e+12_WP)*Tloc**(-0.73_WP)* & exp(-(4.6898e+05_WP)/(8.314_WP*Tloc)) k(r94b) = (3.37830245e+03_WP)*Tloc**(1.03_WP)* & exp(-(1.3589e+05_WP)/(8.314_WP*Tloc)) k(rG95b) = (8.03000039e-02_WP)*Tloc**(2.37_WP)* & exp(-(7.4839e+04_WP)/(8.314_WP*Tloc)) k(rG96b) = (3.24027729e+04_WP)*Tloc**(0.44_WP)* & exp(-(7.2420e+04_WP)/(8.314_WP*Tloc)) k(rG97b) = (1.31183322e-02_WP)*Tloc**(2.71_WP)* & exp(-(9.7087e+04_WP)/(8.314_WP*Tloc)) k(rG98b) = (5.50446331e+01_WP)*Tloc**(1.54_WP)* & exp(-(1.2427e+05_WP)/(8.314_WP*Tloc)) k(rG99b) = (1.41927083e+14_WP)*Tloc**(-1.33_WP)* & exp(-(3.1904e+05_WP)/(8.314_WP*Tloc)) k(rG100b) = (9.10930417e+05_WP)*Tloc**(0.10_WP)* & exp(-(2.4107e+03_WP)/(8.314_WP*Tloc)) k(rG101b) = (7.25835647e+00_WP)*Tloc**(1.72_WP)* & exp(-(4.7240e+04_WP)/(8.314_WP*Tloc)) k(r102b) = (1.49011923e+14_WP)*Tloc**(-1.67_WP)* & exp(-(4.3317e+05_WP)/(8.314_WP*Tloc)) k(rG103b) = (4.91333056e+06_WP)*Tloc**(-0.06_WP)* & exp(-(3.7278e+04_WP)/(8.314_WP*Tloc)) k(rG104b) = (2.06308830e+05_WP)*Tloc**(0.44_WP)* & exp(-(2.5561e+05_WP)/(8.314_WP*Tloc)) k(rG105b) = (8.65793799e+04_WP)*Tloc**(0.68_WP)* & exp(-(3.3641e+05_WP)/(8.314_WP*Tloc)) k(rG106b) = (3.04390127e-05_WP)*Tloc**(3.33_WP)* & exp(-(1.9884e+05_WP)/(8.314_WP*Tloc)) k(rG107b) = (2.52444331e+00_WP)*Tloc**(1.56_WP)* & exp(-(2.3869e+05_WP)/(8.314_WP*Tloc)) kG108b_0 = (1.79377225e+25_WP)*Tloc**(-4.52_WP)* & exp(-(1.6276e+05_WP)/(8.314_WP*Tloc)) kG108b_inf = (4.83809234e+09_WP)*Tloc**(1.41_WP)* & exp(-(1.5827e+05_WP)/(8.314_WP*Tloc)) FCG108b = (2.122e-01_WP)* & exp(-Tloc/(-1.021e+04_WP)) + (0.000e+00_WP)* & exp(-Tloc/(1.000e+00_WP)) + (0.000e+00_WP)* & exp(-(1.000e+00_WP)/Tloc) k(rG108b) = & getlindratecoeff & (Tloc, kG108b_0, kG108b_inf, FCG108b, M(mM3), Ploc ) k(rG109b) = (4.93617996e+04_WP)*Tloc**(0.81_WP)* & exp(-(1.0736e+05_WP)/(8.314_WP*Tloc)) k(rG110b) = (2.09410251e+01_WP)*Tloc**(1.84_WP)* & exp(-(8.9674e+04_WP)/(8.314_WP*Tloc)) k(rG111b) = (5.49246727e+07_WP)*Tloc**(0.08_WP)* & exp(-(3.4900e+05_WP)/(8.314_WP*Tloc)) k(rG112b) = (2.69105558e+09_WP)*Tloc**(-0.70_WP)* & exp(-(3.4997e+04_WP)/(8.314_WP*Tloc)) k(rG113b) = (7.21041570e+18_WP)*Tloc**(-0.92_WP)* & exp(-(5.3109e+05_WP)/(8.314_WP*Tloc)) k(rG114b) = (2.87277452e+07_WP)*Tloc**(0.19_WP)* & exp(-(2.8622e+05_WP)/(8.314_WP*Tloc)) k(rR116b) = (2.44233315e+10_WP)*Tloc**(-0.38_WP)* & exp(-(2.9222e+05_WP)/(8.314_WP*Tloc)) k(rG117b) = (5.86450600e+08_WP)*Tloc**(-0.81_WP)* & exp(-(3.6932e+05_WP)/(8.314_WP*Tloc)) kG119b_0 = (1.07203934e+27_WP)*Tloc**(-4.04_WP)* & exp(-(4.8060e+05_WP)/(8.314_WP*Tloc)) kG119b_inf = (4.65571369e+15_WP)*Tloc**(0.09_WP)* & exp(-(4.6788e+05_WP)/(8.314_WP*Tloc)) FCG119b = (2.180e-01_WP)* & exp(-Tloc/(2.075e+02_WP)) + (7.820e-01_WP)* & exp(-Tloc/(2.663e+03_WP)) + (1.000e+00_WP)* & exp(-(6.095e+03_WP)/Tloc) k(rG119b) = & getlindratecoeff & (Tloc, kG119b_0, kG119b_inf, FCG119b, M(mM3), Ploc ) k(rR120b) = (3.69116224e+04_WP)*Tloc**(0.24_WP)* & exp(-(9.7387e+04_WP)/(8.314_WP*Tloc)) k(rG121b) = (8.35538785e+00_WP)*Tloc**(1.43_WP)* & exp(-(5.6255e+04_WP)/(8.314_WP*Tloc)) k(rG122b) = (2.26849783e-01_WP)*Tloc**(1.93_WP)* & exp(-(1.4149e+04_WP)/(8.314_WP*Tloc)) kG123b_0 = (4.63001238e+33_WP)*Tloc**(-6.79_WP)* & exp(-(1.7560e+05_WP)/(8.314_WP*Tloc)) kG123b_inf = (3.12468816e+09_WP)*Tloc**(1.31_WP)* & exp(-(1.5713e+05_WP)/(8.314_WP*Tloc)) FCG123b = (1.569e+00_WP)* & exp(-Tloc/(2.990e+02_WP)) + (-5.690e-01_WP)* & exp(-Tloc/(-9.147e+03_WP)) + (1.000e+00_WP)* & exp(-(1.524e+02_WP)/Tloc) k(rG123b) = & getlindratecoeff & (Tloc, kG123b_0, kG123b_inf, FCG123b, M(mM3), Ploc ) k(rG125b) = (5.31696898e-10_WP)*Tloc**(4.60_WP)* & exp(-(2.5637e+04_WP)/(8.314_WP*Tloc)) k(rG126b) = (1.72826587e+43_WP)*Tloc**(-9.30_WP)* & exp(-(1.4167e+05_WP)/(8.314_WP*Tloc)) k(rG127b) = (7.00275872e+06_WP)*Tloc**(-0.07_WP)* & exp(-(7.0947e+04_WP)/(8.314_WP*Tloc)) k(rG128b) = (3.57058459e-03_WP)*Tloc**(2.27_WP)* & exp(-(1.1124e+05_WP)/(8.314_WP*Tloc)) k(rR129b) = (9.72231357e+04_WP)*Tloc**(0.14_WP)* & exp(-(-2.0969e+03_WP)/(8.314_WP*Tloc)) k(rG130b) = (4.49344432e-05_WP)*Tloc**(3.26_WP)* & exp(-(1.5202e+04_WP)/(8.314_WP*Tloc)) k(rG131b) = (9.75310936e-07_WP)*Tloc**(3.44_WP)* & exp(-(1.6808e+04_WP)/(8.314_WP*Tloc)) k(rR132b) = (3.30171864e+07_WP)*Tloc**(-0.27_WP)* & exp(-(2.1537e+05_WP)/(8.314_WP*Tloc)) kG133b_0 = (3.36120247e+38_WP)*Tloc**(-7.33_WP)* & exp(-(4.4983e+05_WP)/(8.314_WP*Tloc)) kG133b_inf = (8.79993209e+20_WP)*Tloc**(-1.24_WP)* & exp(-(4.2847e+05_WP)/(8.314_WP*Tloc)) FCG133b = (1.578e-01_WP)* & exp(-Tloc/(1.250e+02_WP)) + (8.422e-01_WP)* & exp(-Tloc/(2.219e+03_WP)) + (1.000e+00_WP)* & exp(-(6.882e+03_WP)/Tloc) k(rG133b) = & getlindratecoeff & (Tloc, kG133b_0, kG133b_inf, FCG133b, M(mM3), Ploc ) k(rR134b) = (1.16631649e+10_WP)*Tloc**(-0.58_WP)* & exp(-(1.1275e+05_WP)/(8.314_WP*Tloc)) k(rG135b) = (1.03068192e+19_WP)*Tloc**(-1.02_WP)* & exp(-(3.8643e+05_WP)/(8.314_WP*Tloc)) k(rG136b) = (2.37575805e+05_WP)*Tloc**(0.48_WP)* & exp(-(2.8171e+05_WP)/(8.314_WP*Tloc)) k(rG137b) = (1.48509752e+01_WP)*Tloc**(1.13_WP)* & exp(-(4.4839e+04_WP)/(8.314_WP*Tloc)) k(rR139b) = (2.87225500e+08_WP)*Tloc**(-0.21_WP)* & exp(-(2.1705e+05_WP)/(8.314_WP*Tloc)) k(rG140b) = (3.95905094e+00_WP)*Tloc**(2.35_WP)* & exp(-(3.0313e+05_WP)/(8.314_WP*Tloc)) k(rG141b) = (2.16622551e+06_WP)*Tloc**(-0.01_WP)* & exp(-(7.7538e+04_WP)/(8.314_WP*Tloc)) k(rG142b) = (3.81927714e+08_WP)*Tloc**(0.00_WP)* & exp(-(1.1363e+05_WP)/(8.314_WP*Tloc)) k(rG143b) = (3.01988141e-09_WP)*Tloc**(4.34_WP)* & exp(-(1.8653e+04_WP)/(8.314_WP*Tloc)) kG144b_0 = (1.19542689e+45_WP)*Tloc**(-11.69_WP)* & exp(-(4.0255e+04_WP)/(8.314_WP*Tloc)) kG144b_inf = (6.04140474e+35_WP)*Tloc**(-8.27_WP)* & exp(-(6.4355e+04_WP)/(8.314_WP*Tloc)) FCG144b = (6.100e-01_WP)* & exp(-Tloc/(1.000e+02_WP)) + (3.900e-01_WP)* & exp(-Tloc/(1.900e+03_WP)) + (1.000e+00_WP)* & exp(-(6.000e+03_WP)/Tloc) k(rG144b) = & getlindratecoeff & (Tloc, kG144b_0, kG144b_inf, FCG144b, M(mM3), Ploc ) k(rR145b) = (3.87885755e-05_WP)*Tloc**(3.20_WP)* & exp(-(1.1553e+04_WP)/(8.314_WP*Tloc)) k(rG146b) = (2.72687765e-05_WP)*Tloc**(3.28_WP)* & exp(-(3.5332e+04_WP)/(8.314_WP*Tloc)) k(rG147b) = (2.96250979e-03_WP)*Tloc**(2.69_WP)* & exp(-(7.7188e+04_WP)/(8.314_WP*Tloc)) k(rG149b) = (1.24523922e-09_WP)*Tloc**(1.83_WP)* & exp(-(3.5972e+05_WP)/(8.314_WP*Tloc)) k(rG151b) = (1.45236012e-03_WP)*Tloc**(1.40_WP)* & exp(-(4.2668e+05_WP)/(8.314_WP*Tloc)) k(rR154b) = (4.95766491e+08_WP)*Tloc**(0.23_WP)* & exp(-(3.8502e+05_WP)/(8.314_WP*Tloc)) k(rG155b) = (1.34192946e+02_WP)*Tloc**(1.54_WP)* & exp(-(7.1892e+04_WP)/(8.314_WP*Tloc)) k(rG156b) = (4.51285006e-04_WP)*Tloc**(2.95_WP)* & exp(-(1.3192e+05_WP)/(8.314_WP*Tloc)) k(rR157b) = (3.16708105e+06_WP)*Tloc**(0.32_WP)* & exp(-(4.0520e+05_WP)/(8.314_WP*Tloc)) k(rG158b) = (3.94381841e+03_WP)*Tloc**(0.58_WP)* & exp(-(1.6646e+04_WP)/(8.314_WP*Tloc)) k(rR159b) = (1.40669889e+07_WP)*Tloc**(0.04_WP)* & exp(-(5.2523e+04_WP)/(8.314_WP*Tloc)) k(rG160b) = (3.60099436e+03_WP)*Tloc**(0.79_WP)* & exp(-(2.0544e+05_WP)/(8.314_WP*Tloc)) k(rR161b) = (4.98862058e+03_WP)*Tloc**(0.37_WP)* & exp(-(9.2243e+04_WP)/(8.314_WP*Tloc)) k(rG162b) = (5.71322680e+04_WP)*Tloc**(0.51_WP)* & exp(-(6.0080e+04_WP)/(8.314_WP*Tloc)) k(rG163b) = (3.32026707e+04_WP)*Tloc**(0.62_WP)* & exp(-(2.2405e+04_WP)/(8.314_WP*Tloc)) k(rR164b) = (1.14988528e+07_WP)*Tloc**(0.09_WP)* & exp(-(6.6202e+04_WP)/(8.314_WP*Tloc)) k(rG166b) = (4.57030496e+01_WP)*Tloc**(1.61_WP)* & exp(-(3.2847e+05_WP)/(8.314_WP*Tloc)) k(rG167b) = (7.02976880e+25_WP)*Tloc**(-6.02_WP)* & exp(-(5.3030e+04_WP)/(8.314_WP*Tloc)) k(rG168b) = (1.98620410e+05_WP)*Tloc**(0.77_WP)* & exp(-(3.4207e+05_WP)/(8.314_WP*Tloc)) k(rG169b) = (1.58715055e+04_WP)*Tloc**(0.88_WP)* & exp(-(2.7930e+05_WP)/(8.314_WP*Tloc)) k(rG171b) = (1.04305628e+20_WP)*Tloc**(-4.75_WP)* & exp(-(1.7298e+05_WP)/(8.314_WP*Tloc)) k(rG173b) = (2.20887944e-01_WP)*Tloc**(1.86_WP)* & exp(-(4.1358e+04_WP)/(8.314_WP*Tloc)) k(rG177b) = (1.50867808e+02_WP)*Tloc**(1.24_WP)* & exp(-(3.6375e+04_WP)/(8.314_WP*Tloc)) k(rG179b) = (1.27626090e+05_WP)*Tloc**(0.05_WP)* & exp(-(2.8126e+04_WP)/(8.314_WP*Tloc)) k(rG182b) = (3.16422094e+05_WP)*Tloc**(-0.05_WP)* & exp(-(2.4610e+04_WP)/(8.314_WP*Tloc)) k(rG183b) = (2.47343781e+07_WP)*Tloc**(-0.19_WP)* & exp(-(2.6496e+04_WP)/(8.314_WP*Tloc)) k(rG184b) = (1.83349544e+02_WP)*Tloc**(0.45_WP)* & exp(-(1.4196e+05_WP)/(8.314_WP*Tloc)) k(rG185b) = (1.05285655e+07_WP)*Tloc**(-0.06_WP)* & exp(-(3.9788e+04_WP)/(8.314_WP*Tloc)) return end subroutine get_rate_coefficients ! --- Reaction rates --- ! subroutine get_reaction_rates(w,k,m,c,cqss) use mechanism implicit none real(WP), dimension(nspec) :: c real(WP), dimension(nqss) :: cqss real(WP), dimension(nreac) :: w,k real(WP), dimension(9) :: m w(r1f) = k(r1f) * c(sH)**2_WP * m(mM1) w(r2f) = k(r2f) * c(sH)**2_WP * c(sH2) w(r3f) = k(r3f) * c(sO) * c(sH2) w(r4f) = k(r4f) * c(sH) * c(sO) * m(mM3) w(r5f) = k(r5f) * c(sO)**2_WP * m(mM4) w(r6f) = k(r6f) * c(sOH)**2_WP w(r7f) = k(r7f) * c(sH) * c(sOH) * m(mM2) w(r8f) = k(r8f) * c(sOH)**2_WP w(r9f) = k(r9f) * c(sOH) * c(sH2) w(r10f) = k(r10f) * c(sH)**2_WP * c(sH2O) w(r11f) = k(r11f) * c(sH) * c(sO2) w(r12f) = k(r12f) * c(sH) * c(sO2) w(r13f) = k(r13f) * c(sH2) * c(sO2) w(r14f) = k(r14f) * c(sHO2) * c(sOH) w(r15f) = k(r15f) * c(sHO2) * c(sH) w(r17f) = k(r17f) * c(sHO2) * c(sO) w(r18f) = k(r18f) * c(sHO2) * c(sH) w(r20f) = k(r20f) * c(sHO2) * c(sOH) w(r21f) = k(r21f) * c(sH2O2) * c(sO) w(r22f) = k(r22f) * c(sH2O2) * c(sH) w(r23f) = k(r23f) * c(sH2O2) * c(sH) w(r24f) = k(r24f) * c(sH2O2) * c(sOH) w(r25f) = k(r25f) * c(sH2O2) * c(sOH) w(rG26f) = k(rG26f) * cqss(sC-nspec) * c(sO2) w(rG27f) = k(rG27f) * cqss(sC-nspec) * c(sOH) w(rG28f) = k(rG28f) * cqss(sCH-nspec) * c(sOH) w(rG29f) = k(rG29f) * cqss(sCH-nspec) * c(sH2) w(rG30f) = k(rG30f) * cqss(sCH-nspec) * c(sO) w(rG31f) = k(rG31f) * cqss(sCH-nspec) * c(sO2) w(rG32f) = k(rG32f) * cqss(sCH-nspec) * c(sH) w(rG33f) = k(rG33f) * cqss(sCH-nspec) * c(sH2) w(rG34f) = k(rG34f) * cqss(sCH-nspec) * c(sH2O) w(rG35f) = k(rG35f) * cqss(sTXCH2-nspec) * c(sH) w(rG36) = k(rG36) * cqss(sTXCH2-nspec) * c(sO2) w(rG37f) = k(rG37f) * cqss(sTXCH2-nspec) * c(sO2) w(rG38f) = k(rG38f) * cqss(sTXCH2-nspec) * c(sOH) w(rG40f) = k(rG40f) * cqss(sTXCH2-nspec) * c(sHO2) w(rG41) = k(rG41) * cqss(sTXCH2-nspec) * c(sO2) w(rG42f) = k(rG42f) * cqss(sTXCH2-nspec) * c(sOH) w(rG43f) = k(rG43f) * cqss(sTXCH2-nspec) * c(sO) w(rG46f) = k(rG46f) * cqss(sTXCH2-nspec) * c(sH2) w(rG47f) = k(rG47f) * cqss(sSXCH2-nspec) * c(sH2O) w(rG48f) = k(rG48f) * cqss(sSXCH2-nspec) * c(sH) w(rG49f) = k(rG49f) * cqss(sSXCH2-nspec) * c(sO2) w(rG50f) = k(rG50f) * cqss(sSXCH2-nspec) * c(sO) w(rG51f) = k(rG51f) * cqss(sSXCH2-nspec) * c(sO2) w(rG52f) = k(rG52f) * cqss(sSXCH2-nspec) * c(sH2) w(rG53f) = k(rG53f) * cqss(sSXCH2-nspec) * c(sO) w(rG54) = k(rG54) * cqss(sSXCH2-nspec) * c(sH2O) w(rG55f) = k(rG55f) * cqss(sSXCH2-nspec) * c(sOH) w(rG56) = k(rG56) * c(sCH3) * c(sOH) w(rG57f) = k(rG57f) * c(sCH3) * c(sH2O2) w(rG58f) = k(rG58f) * c(sCH3) * c(sO2) w(rG59f) = k(rG59f) * c(sCH3) * cqss(sCH-nspec) w(rG60f) = k(rG60f) * c(sCH3) * c(sO) w(rG61f) = k(rG61f) * c(sCH3) * cqss(sC-nspec) w(rG62f) = k(rG62f) * c(sCH3) * c(sH) w(rG63f) = k(rG63f) * c(sCH3) * c(sOH) w(rG64f) = k(rG64f) * c(sCH3) * cqss(sSXCH2-nspec) w(rG65f) = k(rG65f) * c(sCH3) * c(sOH) w(rG66f) = k(rG66f) * c(sCH3)**2_WP w(rG67f) = k(rG67f) * c(sCH3) * c(sHO2) w(rG68f) = k(rG68f) * c(sCH3) * cqss(sTXCH2-nspec) w(rG69) = k(rG69) * c(sCH3) * c(sO) w(rG70f) = k(rG70f) * c(sCH4) * cqss(sCH-nspec) w(rG71f) = k(rG71f) * c(sCH4) * cqss(sSXCH2-nspec) w(rG72f) = k(rG72f) * c(sCH4) * c(sO) w(rG73f) = k(rG73f) * c(sCH4) * c(sOH) w(rG74f) = k(rG74f) * c(sCH4) * cqss(sTXCH2-nspec) w(rG75f) = k(rG75f) * c(sCH4) * c(sH) w(rG76f) = k(rG76f) * cqss(sTXCH2-nspec) * c(sCO) w(rG77f) = k(rG77f) * cqss(sSXCH2-nspec) * c(sCO) w(r78f) = k(r78f) * c(sCO) * c(sO2) w(r79f) = k(r79f) * c(sCO) * c(sOH) w(rG80f) = k(rG80f) * c(sCO) * c(sH2) w(rG81f) = k(rG81f) * cqss(sCH-nspec) * c(sCO) w(r82f) = k(r82f) * c(sCO) * c(sOH) w(r83f) = k(r83f) * c(sCO) * c(sO) w(r84f) = k(r84f) * c(sCO) * c(sHO2) w(r85f) = k(r85f) * cqss(sHCO-nspec) * c(sH) w(rG86f) = k(rG86f) * cqss(sHCO-nspec) * c(sH) w(rG87f) = k(rG87f) * c(sCH3) * cqss(sHCO-nspec) w(r88f) = k(r88f) * cqss(sHCO-nspec) * m(mM8) w(r89f) = k(r89f) * cqss(sHCO-nspec) * c(sH2O) w(r90f) = k(r90f) * cqss(sHCO-nspec) * c(sO) w(r91f) = k(r91f) * cqss(sHCO-nspec) * c(sOH) w(rG92f) = k(rG92f) * c(sCH3) * cqss(sHCO-nspec) w(r93f) = k(r93f) * cqss(sHCO-nspec) * c(sO) w(r94f) = k(r94f) * cqss(sHCO-nspec) * c(sO2) w(rG95f) = k(rG95f) * c(sCH2O) * c(sH) w(rG96f) = k(rG96f) * c(sCH2O) * c(sO) w(rG97f) = k(rG97f) * c(sCH3) * c(sCH2O) w(rG98f) = k(rG98f) * c(sCH2O) * c(sOH) w(rG99f) = k(rG99f) * c(sCH2O) * cqss(sCH-nspec) w(rG100f) = k(rG100f) * c(sCH2O) * c(sO2) w(rG101f) = k(rG101f) * c(sCH2O) * c(sHO2) w(r102f) = k(r102f) * c(sH)**2_WP * c(sCO2) w(rG103f) = k(rG103f) * cqss(sSXCH2-nspec) * c(sCO2) w(rG104f) = k(rG104f) * cqss(sSXCH2-nspec) * c(sCO2) w(rG105f) = k(rG105f) * cqss(sCH-nspec) * c(sCO2) w(rG106f) = k(rG106f) * c(sC2H2) * c(sO) w(rG107f) = k(rG107f) * c(sC2H2) * c(sOH) w(rG108f) = k(rG108f) * c(sC2H2) * c(sH) w(rG109f) = k(rG109f) * c(sC2H2) * c(sOH) w(rG110f) = k(rG110f) * c(sC2H2) * c(sO) w(rG111f) = k(rG111f) * cqss(sC2H3-nspec) * c(sOH) w(rG112f) = k(rG112f) * cqss(sC2H3-nspec) * c(sO2) w(rG113f) = k(rG113f) * cqss(sC2H3-nspec) * c(sO) w(rG114f) = k(rG114f) * cqss(sC2H3-nspec) * c(sH) w(rR116f) = k(rR116f) * cqss(sC2H3-nspec) * c(sCH3) w(rG117f) = k(rG117f) * cqss(sC2H3-nspec) * c(sO2) w(rG119f) = k(rG119f) * cqss(sC2H3-nspec) * c(sH) w(rR120f) = k(rR120f) * cqss(sC2H3-nspec) * c(sH2O2) w(rG121f) = k(rG121f) * cqss(sC2H3-nspec) * c(sO2) w(rG122f) = k(rG122f) * c(sC2H4) * c(sCH3) w(rG123f) = k(rG123f) * c(sC2H4) * c(sH) w(rR124) = k(rR124) * c(sC2H4) * c(sO2) w(rG125f) = k(rG125f) * c(sC2H4) * c(sOH) w(rG126f) = k(rG126f) * c(sC2H4) * c(sOH) w(rG127f) = k(rG127f) * c(sC2H4) * c(sO) w(rG128f) = k(rG128f) * c(sC2H4) * c(sO) w(rR129f) = k(rR129f) * c(sC2H4) * c(sO2) w(rG130f) = k(rG130f) * c(sC2H4) * c(sH) w(rG131f) = k(rG131f) * c(sC2H4) * c(sO) w(rR132f) = k(rR132f) * cqss(sC2H5-nspec) * c(sHO2) w(rG133f) = k(rG133f) * cqss(sC2H5-nspec) * c(sH) w(rR134f) = k(rR134f) * cqss(sC2H5-nspec) * c(sHO2) w(rG135f) = k(rG135f) * cqss(sC2H5-nspec) * c(sO) w(rG136f) = k(rG136f) * cqss(sC2H5-nspec) * c(sH) w(rG137f) = k(rG137f) * cqss(sC2H5-nspec) * c(sO2) w(rR139f) = k(rR139f) * cqss(sC2H5-nspec) * c(sHO2) w(rG140f) = k(rG140f) * cqss(sC2H5-nspec) * c(sCH3) w(rG141f) = k(rG141f) * c(sC2H6) * cqss(sSXCH2-nspec) w(rG142f) = k(rG142f) * c(sC2H6) * c(sCH3) w(rG143f) = k(rG143f) * c(sC2H6) * c(sO) w(rG144f) = k(rG144f) * c(sC2H6) w(rR145f) = k(rR145f) * c(sC2H6) * c(sHO2) w(rG146f) = k(rG146f) * c(sC2H6) * c(sH) w(rG147f) = k(rG147f) * c(sC2H6) * c(sOH) w(rG149f) = k(rG149f) * cqss(sHCCO-nspec) * c(sO2) w(rG151f) = k(rG151f) * cqss(sHCCO-nspec) * c(sO) w(rR154f) = k(rR154f) * cqss(sHCCO-nspec) * c(sCH3) w(rG155f) = k(rG155f) * cqss(sHCCO-nspec) * c(sH) w(rG156f) = k(rG156f) * c(sCH2CO) * c(sH) w(rR157f) = k(rR157f) * c(sCH2CO) * cqss(sTXCH2-nspec) w(rG158f) = k(rG158f) * c(sCH2CO) * c(sO) w(rR159f) = k(rR159f) * c(sCH2CO) * c(sCH3) w(rG160f) = k(rG160f) * c(sCH2CO) * c(sO) w(rR161f) = k(rR161f) * c(sCH2CO) * c(sCH3) w(rG162f) = k(rG162f) * c(sCH2CO) * c(sOH) w(rG163f) = k(rG163f) * c(sCH2CO) * c(sH) w(rR164f) = k(rR164f) * c(sCH2CO) * cqss(sTXCH2-nspec) w(rG166f) = k(rG166f) * cqss(sCH2CHO-nspec) * c(sO) w(rG167f) = k(rG167f) * cqss(sCH2CHO-nspec) w(rG168f) = k(rG168f) * cqss(sCH2CHO-nspec) * c(sOH) w(rG169f) = k(rG169f) * cqss(sCH2CHO-nspec) * c(sH) w(rG170) = k(rG170) * cqss(sCH2CHO-nspec) * c(sO2) w(rG171f) = k(rG171f) * cqss(sCH2CHO-nspec) w(rG172) = k(rG172) * cqss(sCH2CHO-nspec) * c(sO2) w(rG173f) = k(rG173f) * cqss(sCH2CHO-nspec) * c(sH) w(rG174) = k(rG174) * cqss(sCH3CHO-nspec) * c(sO) w(rG175) = k(rG175) * cqss(sCH3CHO-nspec) * c(sO2) w(rG176) = k(rG176) * cqss(sCH3CHO-nspec) * c(sOH) w(rG177f) = k(rG177f) * cqss(sCH3CHO-nspec) * c(sH) w(rG178) = k(rG178) * cqss(sCH3CHO-nspec) * c(sH) w(rG179f) = k(rG179f) * cqss(sCH3CHO-nspec) * c(sO) w(rG180) = k(rG180) * cqss(sCH3CHO-nspec) * c(sCH3) w(rG181) = k(rG181) * cqss(sCH3CHO-nspec) * c(sHO2) w(rG182f) = k(rG182f) * cqss(sC2H5O-nspec) w(rG183f) = k(rG183f) * cqss(sC2H5O-nspec) w(rG184f) = k(rG184f) * cqss(sC2H5O-nspec) * c(sO2) w(rG185f) = k(rG185f) * cqss(sSXCH2-nspec) * c(sN2) w(r1b) = k(r1b) * c(sH2) * m(mM1) w(r2b) = k(r2b) * c(sH2)**2_WP w(r3b) = k(r3b) * c(sH) * c(sOH) w(r4b) = k(r4b) * c(sOH) * m(mM3) w(r5b) = k(r5b) * c(sO2) * m(mM4) w(r6b) = k(r6b) * c(sH2O2) w(r7b) = k(r7b) * c(sH2O) * m(mM2) w(r8b) = k(r8b) * c(sO) * c(sH2O) w(r9b) = k(r9b) * c(sH) * c(sH2O) w(r10b) = k(r10b) * c(sH2) * c(sH2O) w(r11b) = k(r11b) * c(sHO2) w(r12b) = k(r12b) * c(sO) * c(sOH) w(r13b) = k(r13b) * c(sHO2) * c(sH) w(r14b) = k(r14b) * c(sH2O) * c(sO2) w(r15b) = k(r15b) * c(sOH)**2_WP w(r17b) = k(r17b) * c(sOH) * c(sO2) w(r18b) = k(r18b) * c(sO) * c(sH2O) w(r20b) = k(r20b) * c(sH2O) * c(sO2) w(r21b) = k(r21b) * c(sHO2) * c(sOH) w(r22b) = k(r22b) * c(sH2O) * c(sOH) w(r23b) = k(r23b) * c(sHO2) * c(sH2) w(r24b) = k(r24b) * c(sHO2) * c(sH2O) w(r25b) = k(r25b) * c(sHO2) * c(sH2O) w(rG26b) = k(rG26b) * c(sCO) * c(sO) w(rG27b) = k(rG27b) * c(sCO) * c(sH) w(rG28b) = k(rG28b) * cqss(sHCO-nspec) * c(sH) w(rG29b) = k(rG29b) * cqss(sTXCH2-nspec) * c(sH) w(rG30b) = k(rG30b) * c(sCO) * c(sH) w(rG31b) = k(rG31b) * cqss(sHCO-nspec) * c(sO) w(rG32b) = k(rG32b) * cqss(sC-nspec) * c(sH2) w(rG33b) = k(rG33b) * c(sCH3) w(rG34b) = k(rG34b) * c(sCH2O) * c(sH) w(rG35b) = k(rG35b) * c(sCH3) w(rG37b) = k(rG37b) * c(sCH2O) * c(sO) w(rG38b) = k(rG38b) * c(sCH2O) * c(sH) w(rG40b) = k(rG40b) * c(sCH2O) * c(sOH) w(rG42b) = k(rG42b) * cqss(sCH-nspec) * c(sH2O) w(rG43b) = k(rG43b) * cqss(sHCO-nspec) * c(sH) w(rG46b) = k(rG46b) * c(sH) * c(sCH3) w(rG47b) = k(rG47b) * cqss(sTXCH2-nspec) * c(sH2O) w(rG48b) = k(rG48b) * cqss(sCH-nspec) * c(sH2) w(rG49b) = k(rG49b) * c(sH) * c(sOH) * c(sCO) w(rG50b) = k(rG50b) * c(sCO) * c(sH2) w(rG51b) = k(rG51b) * c(sCO) * c(sH2O) w(rG52b) = k(rG52b) * c(sCH3) * c(sH) w(rG53b) = k(rG53b) * cqss(sHCO-nspec) * c(sH) w(rG55b) = k(rG55b) * c(sCH2O) * c(sH) w(rG57b) = k(rG57b) * c(sCH4) * c(sHO2) w(rG58b) = k(rG58b) * c(sCH2O) * c(sOH) w(rG59b) = k(rG59b) * cqss(sC2H3-nspec) * c(sH) w(rG60b) = k(rG60b) * c(sCH2O) * c(sH) w(rG61b) = k(rG61b) * c(sC2H2) * c(sH) w(rG62b) = k(rG62b) * c(sCH4) w(rG63b) = k(rG63b) * cqss(sTXCH2-nspec) * c(sH2O) w(rG64b) = k(rG64b) * c(sC2H4) * c(sH) w(rG65b) = k(rG65b) * cqss(sSXCH2-nspec) * c(sH2O) w(rG66b) = k(rG66b) * cqss(sC2H5-nspec) * c(sH) w(rG67b) = k(rG67b) * c(sCH4) * c(sO2) w(rG68b) = k(rG68b) * c(sC2H4) * c(sH) w(rG70b) = k(rG70b) * c(sC2H4) * c(sH) w(rG71b) = k(rG71b) * c(sCH3)**2_WP w(rG72b) = k(rG72b) * c(sCH3) * c(sOH) w(rG73b) = k(rG73b) * c(sCH3) * c(sH2O) w(rG74b) = k(rG74b) * c(sCH3)**2_WP w(rG75b) = k(rG75b) * c(sCH3) * c(sH2) w(rG76b) = k(rG76b) * c(sCH2CO) w(rG77b) = k(rG77b) * cqss(sTXCH2-nspec) * c(sCO) w(r78b) = k(r78b) * c(sCO2) * c(sO) w(r79b) = k(r79b) * c(sCO2) * c(sH) w(rG80b) = k(rG80b) * c(sCH2O) w(rG81b) = k(rG81b) * cqss(sHCCO-nspec) w(r82b) = k(r82b) * c(sCO2) * c(sH) w(r83b) = k(r83b) * c(sCO2) w(r84b) = k(r84b) * c(sCO2) * c(sOH) w(r85b) = k(r85b) * c(sCO) * c(sH2) w(rG86b) = k(rG86b) * c(sCH2O) w(rG87b) = k(rG87b) * cqss(sCH3CHO-nspec) w(r88b) = k(r88b) * c(sCO) * c(sH) * m(mM8) w(r89b) = k(r89b) * c(sCO) * c(sH) * c(sH2O) w(r90b) = k(r90b) * c(sCO) * c(sOH) w(r91b) = k(r91b) * c(sCO) * c(sH2O) w(rG92b) = k(rG92b) * c(sCH4) * c(sCO) w(r93b) = k(r93b) * c(sCO2) * c(sH) w(r94b) = k(r94b) * c(sCO) * c(sHO2) w(rG95b) = k(rG95b) * cqss(sHCO-nspec) * c(sH2) w(rG96b) = k(rG96b) * cqss(sHCO-nspec) * c(sOH) w(rG97b) = k(rG97b) * c(sCH4) * cqss(sHCO-nspec) w(rG98b) = k(rG98b) * cqss(sHCO-nspec) * c(sH2O) w(rG99b) = k(rG99b) * c(sCH2CO) * c(sH) w(rG100b) = k(rG100b) * cqss(sHCO-nspec) * c(sHO2) w(rG101b) = k(rG101b) * cqss(sHCO-nspec) * c(sH2O2) w(r102b) = k(r102b) * c(sH2) * c(sCO2) w(rG103b) = k(rG103b) * cqss(sTXCH2-nspec) * c(sCO2) w(rG104b) = k(rG104b) * c(sCH2O) * c(sCO) w(rG105b) = k(rG105b) * cqss(sHCO-nspec) * c(sCO) w(rG106b) = k(rG106b) * cqss(sTXCH2-nspec) * c(sCO) w(rG107b) = k(rG107b) * c(sCH3) * c(sCO) w(rG108b) = k(rG108b) * cqss(sC2H3-nspec) w(rG109b) = k(rG109b) * c(sCH2CO) * c(sH) w(rG110b) = k(rG110b) * cqss(sHCCO-nspec) * c(sH) w(rG111b) = k(rG111b) * c(sC2H2) * c(sH2O) w(rG112b) = k(rG112b) * cqss(sCH2CHO-nspec) * c(sO) w(rG113b) = k(rG113b) * cqss(sCH2CHO-nspec) w(rG114b) = k(rG114b) * c(sC2H2) * c(sH2) w(rR116b) = k(rR116b) * c(sC2H2) * c(sCH4) w(rG117b) = k(rG117b) * cqss(sHCO-nspec) * c(sCH2O) w(rG119b) = k(rG119b) * c(sC2H4) w(rR120b) = k(rR120b) * c(sC2H4) * c(sHO2) w(rG121b) = k(rG121b) * c(sC2H2) * c(sHO2) w(rG122b) = k(rG122b) * cqss(sC2H3-nspec) * c(sCH4) w(rG123b) = k(rG123b) * cqss(sC2H5-nspec) w(rG125b) = k(rG125b) * cqss(sC2H3-nspec) * c(sH2O) w(rG126b) = k(rG126b) * cqss(sC2H5O-nspec) w(rG127b) = k(rG127b) * cqss(sCH2CHO-nspec) * c(sH) w(rG128b) = k(rG128b) * c(sCH3) * cqss(sHCO-nspec) w(rR129b) = k(rR129b) * cqss(sC2H3-nspec) * c(sHO2) w(rG130b) = k(rG130b) * cqss(sC2H3-nspec) * c(sH2) w(rG131b) = k(rG131b) * cqss(sTXCH2-nspec) * c(sCH2O) w(rR132b) = k(rR132b) * c(sC2H4) * c(sH2O2) w(rG133b) = k(rG133b) * c(sC2H6) w(rR134b) = k(rR134b) * cqss(sC2H5O-nspec) * c(sOH) w(rG135b) = k(rG135b) * cqss(sC2H5O-nspec) w(rG136b) = k(rG136b) * c(sC2H4) * c(sH2) w(rG137b) = k(rG137b) * c(sC2H4) * c(sHO2) w(rR139b) = k(rR139b) * c(sC2H6) * c(sO2) w(rG140b) = k(rG140b) * c(sC2H4) * c(sCH4) w(rG141b) = k(rG141b) * cqss(sC2H5-nspec) * c(sCH3) w(rG142b) = k(rG142b) * cqss(sC2H5-nspec) * c(sCH4) w(rG143b) = k(rG143b) * cqss(sC2H5-nspec) * c(sOH) w(rG144b) = k(rG144b) * c(sCH3)**2_WP w(rR145b) = k(rR145b) * cqss(sC2H5-nspec) * c(sH2O2) w(rG146b) = k(rG146b) * cqss(sC2H5-nspec) * c(sH2) w(rG147b) = k(rG147b) * cqss(sC2H5-nspec) * c(sH2O) w(rG149b) = k(rG149b) * c(sOH) * c(sCO)**2_WP w(rG151b) = k(rG151b) * c(sH) * c(sCO)**2_WP w(rR154b) = k(rR154b) * c(sC2H4) * c(sCO) w(rG155b) = k(rG155b) * cqss(sSXCH2-nspec) * c(sCO) w(rG156b) = k(rG156b) * c(sCH3) * c(sCO) w(rR157b) = k(rR157b) * c(sC2H4) * c(sCO) w(rG158b) = k(rG158b) * cqss(sHCCO-nspec) * c(sOH) w(rR159b) = k(rR159b) * cqss(sHCCO-nspec) * c(sCH4) w(rG160b) = k(rG160b) * cqss(sTXCH2-nspec) * c(sCO2) w(rR161b) = k(rR161b) * cqss(sC2H5-nspec) * c(sCO) w(rG162b) = k(rG162b) * cqss(sHCCO-nspec) * c(sH2O) w(rG163b) = k(rG163b) * cqss(sHCCO-nspec) * c(sH2) w(rR164b) = k(rR164b) * cqss(sHCCO-nspec) * c(sCH3) w(rG166b) = k(rG166b) * c(sCH2O) * cqss(sHCO-nspec) w(rG167b) = k(rG167b) * c(sCH2CO) * c(sH) w(rG168b) = k(rG168b) * c(sH2O) * c(sCH2CO) w(rG169b) = k(rG169b) * c(sCH2CO) * c(sH2) w(rG171b) = k(rG171b) * c(sCH3) * c(sCO) w(rG173b) = k(rG173b) * c(sCH3) * cqss(sHCO-nspec) w(rG177b) = k(rG177b) * cqss(sCH2CHO-nspec) * c(sH2) w(rG179b) = k(rG179b) * cqss(sCH2CHO-nspec) * c(sOH) w(rG182b) = k(rG182b) * c(sCH3) * c(sCH2O) w(rG183b) = k(rG183b) * cqss(sCH3CHO-nspec) * c(sH) w(rG184b) = k(rG184b) * cqss(sCH3CHO-nspec) * c(sHO2) w(rG185b) = k(rG185b) * cqss(sTXCH2-nspec) * c(sN2) return end subroutine get_reaction_rates ! --- Production rates --- ! subroutine get_production_rates(cdot,w) use mechanism implicit none real(WP), dimension(nspec) :: cdot real(WP), dimension(nreac) :: w cdot(sN2) = 0.0_WP - & w(rG185f) + & w(rG185f) - & w(rG185b) + & w(rG185b) cdot(sH) = 0.0_WP - 2_WP * & w(r1f) - 2_WP * & w(r2f) + & w(r3f) - & w(r4f) - & w(r7f) + & w(r9f) - 2_WP * & w(r10f) - & w(r11f) - & w(r12f) + & w(r13f) - & w(r15f) - & w(r18f) - & w(r22f) - & w(r23f) + & w(rG27f) + & w(rG28f) + & w(rG29f) + & w(rG30f) - & w(rG32f) + & w(rG34f) - & w(rG35f) + & w(rG36) + & w(rG38f) + 2_WP * & w(rG41) + & w(rG43f) + & w(rG46f) - & w(rG48f) + & w(rG49f) + & w(rG52f) + & w(rG53f) + & w(rG55f) + & w(rG59f) + & w(rG60f) + & w(rG61f) - & w(rG62f) + & w(rG64f) + & w(rG66f) + & w(rG68f) + & w(rG69) + & w(rG70f) - & w(rG75f) + & w(r79f) + & w(r82f) - & w(r85f) - & w(rG86f) + & w(r88f) + & w(r89f) + & w(r93f) - & w(rG95f) + & w(rG99f) cdot(sH) = cdot(sH) - 2_WP * & w(r102f) - & w(rG108f) + & w(rG109f) + & w(rG110f) - & w(rG114f) - & w(rG119f) - & w(rG123f) + & w(rR124) + & w(rG127f) - & w(rG130f) - & w(rG133f) - & w(rG136f) - & w(rG146f) + & w(rG151f) - & w(rG155f) - & w(rG156f) - & w(rG163f) + & w(rG167f) - & w(rG169f) - & w(rG173f) - & w(rG177f) - & w(rG178) + & w(rG183f) + 2_WP * & w(r1b) + 2_WP * & w(r2b) - & w(r3b) + & w(r4b) + & w(r7b) - & w(r9b) + 2_WP * & w(r10b) + & w(r11b) + & w(r12b) - & w(r13b) + & w(r15b) + & w(r18b) + & w(r22b) + & w(r23b) - & w(rG27b) - & w(rG28b) - & w(rG29b) - & w(rG30b) + & w(rG32b) - & w(rG34b) + & w(rG35b) - & w(rG38b) - & w(rG43b) - & w(rG46b) + & w(rG48b) - & w(rG49b) - & w(rG52b) cdot(sH) = cdot(sH) - & w(rG53b) - & w(rG55b) - & w(rG59b) - & w(rG60b) - & w(rG61b) + & w(rG62b) - & w(rG64b) - & w(rG66b) - & w(rG68b) - & w(rG70b) + & w(rG75b) - & w(r79b) - & w(r82b) + & w(r85b) + & w(rG86b) - & w(r88b) - & w(r89b) - & w(r93b) + & w(rG95b) - & w(rG99b) + 2_WP * & w(r102b) + & w(rG108b) - & w(rG109b) - & w(rG110b) + & w(rG114b) + & w(rG119b) + & w(rG123b) - & w(rG127b) + & w(rG130b) + & w(rG133b) + & w(rG136b) + & w(rG146b) - & w(rG151b) + & w(rG155b) + & w(rG156b) + & w(rG163b) - & w(rG167b) + & w(rG169b) + & w(rG173b) + & w(rG177b) - & w(rG183b) cdot(sH2) = 0.0_WP + & w(r1f) - & w(r2f) + 2_WP * & w(r2f) - & w(r3f) - & w(r9f) + & w(r10f) - & w(r13f) + & w(r23f) - & w(rG29f) + & w(rG32f) - & w(rG33f) - & w(rG46f) + & w(rG48f) + & w(rG50f) - & w(rG52f) + & w(rG54) + & w(rG56) + & w(rG69) + & w(rG75f) - & w(rG80f) + & w(r85f) + & w(rG95f) + & w(r102f) + & w(rG114f) + & w(rG130f) + & w(rG136f) + & w(rG146f) + & w(rG163f) + & w(rG169f) + & w(rG177f) + & w(rG178) - & w(r1b) - 2_WP * & w(r2b) + & w(r2b) + & w(r3b) + & w(r9b) - & w(r10b) + & w(r13b) - & w(r23b) + & w(rG29b) - & w(rG32b) + & w(rG33b) + & w(rG46b) - & w(rG48b) - & w(rG50b) + & w(rG52b) - & w(rG75b) + & w(rG80b) - & w(r85b) - & w(rG95b) cdot(sH2) = cdot(sH2) - & w(r102b) - & w(rG114b) - & w(rG130b) - & w(rG136b) - & w(rG146b) - & w(rG163b) - & w(rG169b) - & w(rG177b) cdot(sO) = 0.0_WP - & w(r3f) - & w(r4f) - 2_WP * & w(r5f) + & w(r8f) + & w(r12f) - & w(r17f) + & w(r18f) - & w(r21f) + & w(rG26f) - & w(rG30f) + & w(rG31f) + & w(rG37f) - & w(rG43f) - & w(rG50f) - & w(rG53f) - & w(rG60f) - & w(rG69) - & w(rG72f) + & w(r78f) - & w(r83f) - & w(r90f) - & w(r93f) - & w(rG96f) - & w(rG106f) - & w(rG110f) + & w(rG112f) - & w(rG113f) - & w(rG127f) - & w(rG128f) - & w(rG131f) - & w(rG135f) - & w(rG143f) - & w(rG151f) - & w(rG158f) - & w(rG160f) - & w(rG166f) - & w(rG174) - & w(rG179f) + & w(r3b) + & w(r4b) + 2_WP * & w(r5b) - & w(r8b) - & w(r12b) + & w(r17b) - & w(r18b) + & w(r21b) - & w(rG26b) + & w(rG30b) - & w(rG31b) - & w(rG37b) cdot(sO) = cdot(sO) + & w(rG43b) + & w(rG50b) + & w(rG53b) + & w(rG60b) + & w(rG72b) - & w(r78b) + & w(r83b) + & w(r90b) + & w(r93b) + & w(rG96b) + & w(rG106b) + & w(rG110b) - & w(rG112b) + & w(rG113b) + & w(rG127b) + & w(rG128b) + & w(rG131b) + & w(rG135b) + & w(rG143b) + & w(rG151b) + & w(rG158b) + & w(rG160b) + & w(rG166b) + & w(rG179b) cdot(sOH) = 0.0_WP + & w(r3f) + & w(r4f) - 2_WP * & w(r6f) - & w(r7f) - 2_WP * & w(r8f) - & w(r9f) + & w(r12f) - & w(r14f) + 2_WP * & w(r15f) + & w(r17f) - & w(r20f) + & w(r21f) + & w(r22f) - & w(r24f) - & w(r25f) - & w(rG27f) - & w(rG28f) + & w(rG36) - & w(rG38f) + & w(rG40f) - & w(rG42f) + & w(rG49f) - & w(rG55f) - & w(rG56) + & w(rG58f) - & w(rG63f) - & w(rG65f) + & w(rG72f) - & w(rG73f) - & w(r79f) - & w(r82f) + & w(r84f) + & w(r90f) - & w(r91f) + & w(rG96f) - & w(rG98f) - & w(rG107f) - & w(rG109f) - & w(rG111f) - & w(rG125f) - & w(rG126f) + & w(rR134f) + & w(rG143f) - & w(rG147f) + & w(rG149f) + & w(rG158f) - & w(rG162f) - & w(rG168f) + & w(rG170) + & w(rG172) cdot(sOH) = cdot(sOH) + & w(rG174) - & w(rG176) + & w(rG179f) - & w(r3b) - & w(r4b) + 2_WP * & w(r6b) + & w(r7b) + 2_WP * & w(r8b) + & w(r9b) - & w(r12b) + & w(r14b) - 2_WP * & w(r15b) - & w(r17b) + & w(r20b) - & w(r21b) - & w(r22b) + & w(r24b) + & w(r25b) + & w(rG27b) + & w(rG28b) + & w(rG38b) - & w(rG40b) + & w(rG42b) - & w(rG49b) + & w(rG55b) - & w(rG58b) + & w(rG63b) + & w(rG65b) - & w(rG72b) + & w(rG73b) + & w(r79b) + & w(r82b) - & w(r84b) - & w(r90b) + & w(r91b) - & w(rG96b) + & w(rG98b) + & w(rG107b) + & w(rG109b) + & w(rG111b) + & w(rG125b) + & w(rG126b) - & w(rR134b) - & w(rG143b) + & w(rG147b) - & w(rG149b) - & w(rG158b) + & w(rG162b) + & w(rG168b) - & w(rG179b) cdot(sOH) = cdot(sOH) cdot(sO2) = 0.0_WP + & w(r5f) - & w(r11f) - & w(r12f) - & w(r13f) + & w(r14f) + & w(r17f) + & w(r20f) - & w(rG26f) - & w(rG31f) - & w(rG36) - & w(rG37f) - & w(rG41) - & w(rG49f) - & w(rG51f) - & w(rG58f) + & w(rG67f) - & w(r78f) - & w(r94f) - & w(rG100f) - & w(rG112f) - & w(rG117f) - & w(rG121f) - & w(rR124) - & w(rR129f) - & w(rG137f) + & w(rR139f) - & w(rG149f) - & w(rG170) - & w(rG172) - & w(rG175) - & w(rG184f) - & w(r5b) + & w(r11b) + & w(r12b) + & w(r13b) - & w(r14b) - & w(r17b) - & w(r20b) + & w(rG26b) + & w(rG31b) + & w(rG37b) + & w(rG49b) + & w(rG51b) + & w(rG58b) - & w(rG67b) + & w(r78b) + & w(r94b) + & w(rG100b) + & w(rG112b) + & w(rG117b) cdot(sO2) = cdot(sO2) + & w(rG121b) + & w(rR129b) + & w(rG137b) - & w(rR139b) + & w(rG149b) + & w(rG184b) cdot(sH2O2) = 0.0_WP + & w(r6f) - & w(r21f) - & w(r22f) - & w(r23f) - & w(r24f) - & w(r25f) - & w(rG57f) + & w(rG101f) - & w(rR120f) + & w(rR132f) + & w(rR145f) + & w(rG181) - & w(r6b) + & w(r21b) + & w(r22b) + & w(r23b) + & w(r24b) + & w(r25b) + & w(rG57b) - & w(rG101b) + & w(rR120b) - & w(rR132b) - & w(rR145b) cdot(sH2O) = 0.0_WP + & w(r7f) + & w(r8f) + & w(r9f) - & w(r10f) + & w(r10f) + & w(r14f) + & w(r18f) + & w(r20f) + & w(r22f) + & w(r24f) + & w(r25f) - & w(rG34f) + & w(rG42f) - & w(rG47f) + & w(rG47f) + & w(rG51f) - & w(rG54) + & w(rG63f) + & w(rG65f) + & w(rG73f) - & w(r89f) + & w(r89f) + & w(r91f) + & w(rG98f) + & w(rG111f) + & w(rG125f) + & w(rG147f) + & w(rG162f) + & w(rG168f) + & w(rG176) - & w(r7b) - & w(r8b) - & w(r9b) - & w(r10b) + & w(r10b) - & w(r14b) - & w(r18b) - & w(r20b) - & w(r22b) - & w(r24b) - & w(r25b) + & w(rG34b) - & w(rG42b) - & w(rG47b) + & w(rG47b) - & w(rG51b) - & w(rG63b) - & w(rG65b) - & w(rG73b) - & w(r89b) cdot(sH2O) = cdot(sH2O) + & w(r89b) - & w(r91b) - & w(rG98b) - & w(rG111b) - & w(rG125b) - & w(rG147b) - & w(rG162b) - & w(rG168b) cdot(sHO2) = 0.0_WP + & w(r11f) + & w(r13f) - & w(r14f) - & w(r15f) - & w(r17f) - & w(r18f) - & w(r20f) + & w(r21f) + & w(r23f) + & w(r24f) + & w(r25f) - & w(rG40f) + & w(rG57f) - & w(rG67f) - & w(r84f) + & w(r94f) + & w(rG100f) - & w(rG101f) + & w(rR120f) + & w(rG121f) + & w(rR129f) - & w(rR132f) - & w(rR134f) + & w(rG137f) - & w(rR139f) - & w(rR145f) + & w(rG175) - & w(rG181) + & w(rG184f) - & w(r11b) - & w(r13b) + & w(r14b) + & w(r15b) + & w(r17b) + & w(r18b) + & w(r20b) - & w(r21b) - & w(r23b) - & w(r24b) - & w(r25b) + & w(rG40b) - & w(rG57b) + & w(rG67b) + & w(r84b) - & w(r94b) - & w(rG100b) + & w(rG101b) - & w(rR120b) - & w(rG121b) - & w(rR129b) cdot(sHO2) = cdot(sHO2) + & w(rR132b) + & w(rR134b) - & w(rG137b) + & w(rR139b) + & w(rR145b) - & w(rG184b) !cdot(sC) = 0.0_WP cdot(sCO) = 0.0_WP + & w(rG26f) + & w(rG27f) + & w(rG30f) + & w(rG36) + & w(rG49f) + & w(rG50f) + & w(rG51f) + & w(rG69) - & w(rG76f) - & w(rG77f) + & w(rG77f) - & w(r78f) - & w(r79f) - & w(rG80f) - & w(rG81f) - & w(r82f) - & w(r83f) - & w(r84f) + & w(r85f) + & w(r88f) + & w(r89f) + & w(r90f) + & w(r91f) + & w(rG92f) + & w(r94f) + & w(rG104f) + & w(rG105f) + & w(rG106f) + & w(rG107f) + 2_WP * & w(rG149f) + 2_WP * & w(rG151f) + & w(rR154f) + & w(rG155f) + & w(rG156f) + & w(rR157f) + & w(rR161f) + & w(rG170) + & w(rG171f) + & w(rG174) + & w(rG175) + & w(rG176) + & w(rG178) + & w(rG180) + & w(rG181) - & w(rG26b) - & w(rG27b) - & w(rG30b) - & w(rG49b) - & w(rG50b) - & w(rG51b) cdot(sCO) = cdot(sCO) + & w(rG76b) - & w(rG77b) + & w(rG77b) + & w(r78b) + & w(r79b) + & w(rG80b) + & w(rG81b) + & w(r82b) + & w(r83b) + & w(r84b) - & w(r85b) - & w(r88b) - & w(r89b) - & w(r90b) - & w(r91b) - & w(rG92b) - & w(r94b) - & w(rG104b) - & w(rG105b) - & w(rG106b) - & w(rG107b) - 2_WP * & w(rG149b) - 2_WP * & w(rG151b) - & w(rR154b) - & w(rG155b) - & w(rG156b) - & w(rR157b) - & w(rR161b) - & w(rG171b) !cdot(sCH) = 0.0_WP !cdot(sHCO) = 0.0_WP !cdot(sTXCH2) = 0.0_WP cdot(sCH3) = 0.0_WP + & w(rG33f) + & w(rG35f) + & w(rG46f) + & w(rG52f) - & w(rG56) - & w(rG57f) - & w(rG58f) - & w(rG59f) - & w(rG60f) - & w(rG61f) - & w(rG62f) - & w(rG63f) - & w(rG64f) - & w(rG65f) - 2_WP * & w(rG66f) - & w(rG67f) - & w(rG68f) - & w(rG69) + 2_WP * & w(rG71f) + & w(rG72f) + & w(rG73f) + 2_WP * & w(rG74f) + & w(rG75f) - & w(rG87f) - & w(rG92f) - & w(rG97f) + & w(rG107f) - & w(rR116f) - & w(rG122f) + & w(rR124) + & w(rG128f) - & w(rG140f) + & w(rG141f) - & w(rG142f) + 2_WP * & w(rG144f) - & w(rR154f) + & w(rG156f) - & w(rR159f) - & w(rR161f) + & w(rR164f) + & w(rG171f) + & w(rG173f) + & w(rG174) + & w(rG175) + & w(rG176) + & w(rG178) - & w(rG180) + & w(rG180) + & w(rG181) + & w(rG182f) cdot(sCH3) = cdot(sCH3) - & w(rG33b) - & w(rG35b) - & w(rG46b) - & w(rG52b) + & w(rG57b) + & w(rG58b) + & w(rG59b) + & w(rG60b) + & w(rG61b) + & w(rG62b) + & w(rG63b) + & w(rG64b) + & w(rG65b) + 2_WP * & w(rG66b) + & w(rG67b) + & w(rG68b) - 2_WP * & w(rG71b) - & w(rG72b) - & w(rG73b) - 2_WP * & w(rG74b) - & w(rG75b) + & w(rG87b) + & w(rG92b) + & w(rG97b) - & w(rG107b) + & w(rR116b) + & w(rG122b) - & w(rG128b) + & w(rG140b) - & w(rG141b) + & w(rG142b) - 2_WP * & w(rG144b) + & w(rR154b) - & w(rG156b) + & w(rR159b) + & w(rR161b) - & w(rR164b) - & w(rG171b) - & w(rG173b) - & w(rG182b) cdot(sCH2O) = 0.0_WP + & w(rG34f) + & w(rG37f) + & w(rG38f) + & w(rG40f) + & w(rG54) + & w(rG55f) + & w(rG56) + & w(rG58f) + & w(rG60f) + & w(rG80f) + & w(rG86f) - & w(rG95f) - & w(rG96f) - & w(rG97f) - & w(rG98f) - & w(rG99f) - & w(rG100f) - & w(rG101f) + & w(rG104f) + & w(rG117f) + & w(rG131f) + & w(rG166f) + & w(rG170) + & w(rG182f) - & w(rG34b) - & w(rG37b) - & w(rG38b) - & w(rG40b) - & w(rG55b) - & w(rG58b) - & w(rG60b) - & w(rG80b) - & w(rG86b) + & w(rG95b) + & w(rG96b) + & w(rG97b) + & w(rG98b) + & w(rG99b) + & w(rG100b) + & w(rG101b) - & w(rG104b) - & w(rG117b) - & w(rG131b) - & w(rG166b) - & w(rG182b) cdot(sCO2) = 0.0_WP + & w(rG41) + & w(r78f) + & w(r79f) + & w(r82f) + & w(r83f) + & w(r84f) + & w(r93f) - & w(r102f) + & w(r102f) - & w(rG103f) + & w(rG103f) - & w(rG104f) - & w(rG105f) + & w(rR124) + & w(rG160f) - & w(r78b) - & w(r79b) - & w(r82b) - & w(r83b) - & w(r84b) - & w(r93b) - & w(r102b) + & w(r102b) - & w(rG103b) + & w(rG103b) + & w(rG104b) + & w(rG105b) - & w(rG160b) !cdot(sSXCH2) = 0.0_WP cdot(sCH4) = 0.0_WP + & w(rG57f) + & w(rG62f) + & w(rG67f) - & w(rG70f) - & w(rG71f) - & w(rG72f) - & w(rG73f) - & w(rG74f) - & w(rG75f) + & w(rG92f) + & w(rG97f) + & w(rR116f) + & w(rG122f) + & w(rG140f) + & w(rG142f) + & w(rR159f) + & w(rG180) - & w(rG57b) - & w(rG62b) - & w(rG67b) + & w(rG70b) + & w(rG71b) + & w(rG72b) + & w(rG73b) + & w(rG74b) + & w(rG75b) - & w(rG92b) - & w(rG97b) - & w(rR116b) - & w(rG122b) - & w(rG140b) - & w(rG142b) - & w(rR159b) !cdot(sC2H3) = 0.0_WP cdot(sC2H2) = 0.0_WP + & w(rG61f) - & w(rG106f) - & w(rG107f) - & w(rG108f) - & w(rG109f) - & w(rG110f) + & w(rG111f) + & w(rG114f) + & w(rR116f) + & w(rG121f) - & w(rG61b) + & w(rG106b) + & w(rG107b) + & w(rG108b) + & w(rG109b) + & w(rG110b) - & w(rG111b) - & w(rG114b) - & w(rR116b) - & w(rG121b) cdot(sC2H4) = 0.0_WP + & w(rG64f) + & w(rG68f) + & w(rG70f) + & w(rG119f) + & w(rR120f) - & w(rG122f) - & w(rG123f) - & w(rR124) - & w(rG125f) - & w(rG126f) - & w(rG127f) - & w(rG128f) - & w(rR129f) - & w(rG130f) - & w(rG131f) + & w(rR132f) + & w(rG136f) + & w(rG137f) + & w(rG140f) + & w(rR154f) + & w(rR157f) - & w(rG64b) - & w(rG68b) - & w(rG70b) - & w(rG119b) - & w(rR120b) + & w(rG122b) + & w(rG123b) + & w(rG125b) + & w(rG126b) + & w(rG127b) + & w(rG128b) + & w(rR129b) + & w(rG130b) + & w(rG131b) - & w(rR132b) - & w(rG136b) - & w(rG137b) - & w(rG140b) - & w(rR154b) - & w(rR157b) !cdot(sC2H5) = 0.0_WP cdot(sCH2CO) = 0.0_WP + & w(rG76f) + & w(rG99f) + & w(rG109f) - & w(rG156f) - & w(rR157f) - & w(rG158f) - & w(rR159f) - & w(rG160f) - & w(rR161f) - & w(rG162f) - & w(rG163f) - & w(rR164f) + & w(rG167f) + & w(rG168f) + & w(rG169f) - & w(rG76b) - & w(rG99b) - & w(rG109b) + & w(rG156b) + & w(rR157b) + & w(rG158b) + & w(rR159b) + & w(rG160b) + & w(rR161b) + & w(rG162b) + & w(rG163b) + & w(rR164b) - & w(rG167b) - & w(rG168b) - & w(rG169b) !cdot(sHCCO) = 0.0_WP !cdot(sCH3CHO) = 0.0_WP !cdot(sCH2CHO) = 0.0_WP !cdot(sC2H5O) = 0.0_WP cdot(sC2H6) = 0.0_WP + & w(rG133f) + & w(rR139f) - & w(rG141f) - & w(rG142f) - & w(rG143f) - & w(rG144f) - & w(rR145f) - & w(rG146f) - & w(rG147f) - & w(rG133b) - & w(rR139b) + & w(rG141b) + & w(rG142b) + & w(rG143b) + & w(rG144b) + & w(rR145b) + & w(rG146b) + & w(rG147b) return end subroutine get_production_rates ! --- Actual reactions --- ! subroutine reaction_expressions use mechanism implicit none reacexp(1) = '2 H + M1 -> H2 + M1' reacexp(2) = '2 H + H2 -> 2 H2' reacexp(3) = 'O + H2 -> H + OH' reacexp(4) = 'H + O + M3 -> OH + M3' reacexp(5) = '2 O + M4 -> O2 + M4' reacexp(6) = '2 OH + M3 -> H2O2 + M3' reacexp(7) = 'H + OH + M2 -> H2O + M2' reacexp(8) = '2 OH -> O + H2O' reacexp(9) = 'OH + H2 -> H + H2O' reacexp(10) = '2 H + H2O -> H2 + H2O' reacexp(11) = 'H + O2 + M5 -> HO2 + M5' reacexp(12) = 'H + O2 -> O + OH' reacexp(13) = 'H2 + O2 -> HO2 + H' reacexp(14) = 'HO2 + OH -> H2O + O2' reacexp(15) = 'HO2 + H -> 2 OH' reacexp(16) = 'HO2 + O -> OH + O2' reacexp(17) = 'HO2 + H -> O + H2O' reacexp(18) = 'HO2 + OH -> H2O + O2' reacexp(19) = 'H2O2 + O -> HO2 + OH' reacexp(20) = 'H2O2 + H -> H2O + OH' reacexp(21) = 'H2O2 + H -> HO2 + H2' reacexp(22) = 'H2O2 + OH -> HO2 + H2O' reacexp(23) = 'H2O2 + OH -> HO2 + H2O' reacexp(24) = 'C + O2 -> CO + O' reacexp(25) = 'C + OH -> CO + H' reacexp(26) = 'CH + OH -> HCO + H' reacexp(27) = 'CH + H2 -> T-CH2 + H' reacexp(28) = 'CH + O -> CO + H' reacexp(29) = 'CH + O2 -> HCO + O' reacexp(30) = 'CH + H -> C + H2' reacexp(31) = 'CH + H2 + M3 -> CH3 + M3' reacexp(32) = 'CH + H2O -> CH2O + H' reacexp(33) = 'T-CH2 + H + M3 -> CH3 + M3' reacexp(34) = 'T-CH2 + O2 -> OH + H + CO' reacexp(35) = 'T-CH2 + O2 -> CH2O + O' reacexp(36) = 'T-CH2 + OH -> CH2O + H' reacexp(37) = 'T-CH2 + HO2 -> CH2O + OH' reacexp(38) = 'T-CH2 + O2 -> CO2 + 2 H' reacexp(39) = 'T-CH2 + OH -> CH + H2O' reacexp(40) = 'T-CH2 + O -> HCO + H' reacexp(41) = 'T-CH2 + H2 -> H + CH3' reacexp(42) = 'S-CH2 + H2O -> T-CH2 + H2O' reacexp(43) = 'S-CH2 + H -> CH + H2' reacexp(44) = 'S-CH2 + O2 -> H + OH + CO' reacexp(45) = 'S-CH2 + O -> CO + H2' reacexp(46) = 'S-CH2 + O2 -> CO + H2O' reacexp(47) = 'S-CH2 + H2 -> CH3 + H' reacexp(48) = 'S-CH2 + O -> HCO + H' reacexp(49) = 'S-CH2 + H2O -> H2 + CH2O' reacexp(50) = 'S-CH2 + OH -> CH2O + H' reacexp(51) = 'CH3 + OH -> H2 + CH2O' reacexp(52) = 'CH3 + H2O2 -> CH4 + HO2' reacexp(53) = 'CH3 + O2 -> CH2O + OH' reacexp(54) = 'CH3 + CH -> C2H3 + H' reacexp(55) = 'CH3 + O -> CH2O + H' reacexp(56) = 'CH3 + C -> C2H2 + H' reacexp(57) = 'CH3 + H + M9 -> CH4 + M9' reacexp(58) = 'CH3 + OH -> T-CH2 + H2O' reacexp(59) = 'CH3 + S-CH2 -> C2H4 + H' reacexp(60) = 'CH3 + OH -> S-CH2 + H2O' reacexp(61) = '2 CH3 -> C2H5 + H' reacexp(62) = 'CH3 + HO2 -> CH4 + O2' reacexp(63) = 'CH3 + T-CH2 -> C2H4 + H' reacexp(64) = 'CH3 + O -> H + H2 + CO' reacexp(65) = 'CH4 + CH -> C2H4 + H' reacexp(66) = 'CH4 + S-CH2 -> 2 CH3' reacexp(67) = 'CH4 + O -> CH3 + OH' reacexp(68) = 'CH4 + OH -> CH3 + H2O' reacexp(69) = 'CH4 + T-CH2 -> 2 CH3' reacexp(70) = 'CH4 + H -> CH3 + H2' reacexp(71) = 'T-CH2 + CO + M3 -> CH2CO + M3' reacexp(72) = 'S-CH2 + CO -> T-CH2 + CO' reacexp(73) = 'CO + O2 -> CO2 + O' reacexp(74) = 'CO + OH -> CO2 + H' reacexp(75) = 'CO + H2 + M3 -> CH2O + M3' reacexp(76) = 'CH + CO + M3 -> HCCO + M3' reacexp(77) = 'CO + OH -> CO2 + H' reacexp(78) = 'CO + O + M7 -> CO2 + M7' reacexp(79) = 'CO + HO2 -> CO2 + OH' reacexp(80) = 'HCO + H -> CO + H2' reacexp(81) = 'HCO + H + M3 -> CH2O + M3' reacexp(82) = 'CH3 + HCO -> CH3CHO' reacexp(83) = 'HCO + M8 -> CO + H + M8' reacexp(84) = 'HCO + H2O -> CO + H + H2O' reacexp(85) = 'HCO + O -> CO + OH' reacexp(86) = 'HCO + OH -> CO + H2O' reacexp(87) = 'CH3 + HCO -> CH4 + CO' reacexp(88) = 'HCO + O -> CO2 + H' reacexp(89) = 'HCO + O2 -> CO + HO2' reacexp(90) = 'CH2O + H -> HCO + H2' reacexp(91) = 'CH2O + O -> HCO + OH' reacexp(92) = 'CH3 + CH2O -> CH4 + HCO' reacexp(93) = 'CH2O + OH -> HCO + H2O' reacexp(94) = 'CH2O + CH -> CH2CO + H' reacexp(95) = 'CH2O + O2 -> HCO + HO2' reacexp(96) = 'CH2O + HO2 -> HCO + H2O2' reacexp(97) = '2 H + CO2 -> H2 + CO2' reacexp(98) = 'S-CH2 + CO2 -> T-CH2 + CO2' reacexp(99) = 'S-CH2 + CO2 -> CH2O + CO' reacexp(100) = 'CH + CO2 -> HCO + CO' reacexp(101) = 'C2H2 + O -> T-CH2 + CO' reacexp(102) = 'C2H2 + OH -> CH3 + CO' reacexp(103) = 'C2H2 + H + M3 -> C2H3 + M3' reacexp(104) = 'C2H2 + OH -> CH2CO + H' reacexp(105) = 'C2H2 + O -> HCCO + H' reacexp(106) = 'C2H3 + OH -> C2H2 + H2O' reacexp(107) = 'C2H3 + O2 -> CH2CHO + O' reacexp(108) = 'C2H3 + O -> CH2CHO' reacexp(109) = 'C2H3 + H -> C2H2 + H2' reacexp(110) = 'C2H3 + CH3 -> C2H2 + CH4' reacexp(111) = 'C2H3 + O2 -> HCO + CH2O' reacexp(112) = 'C2H3 + H + M3 -> C2H4 + M3' reacexp(113) = 'C2H3 + H2O2 -> C2H4 + HO2' reacexp(114) = 'C2H3 + O2 -> C2H2 + HO2' reacexp(115) = 'C2H4 + CH3 -> C2H3 + CH4' reacexp(116) = 'C2H4 + H + M3 -> C2H5 + M3' reacexp(117) = 'C2H4 + O2 -> CH3 + CO2 + H' reacexp(118) = 'C2H4 + OH -> C2H3 + H2O' reacexp(119) = 'C2H4 + OH -> C2H5O' reacexp(120) = 'C2H4 + O -> CH2CHO + H' reacexp(121) = 'C2H4 + O -> CH3 + HCO' reacexp(122) = 'C2H4 + O2 -> C2H3 + HO2' reacexp(123) = 'C2H4 + H -> C2H3 + H2' reacexp(124) = 'C2H4 + O -> T-CH2 + CH2O' reacexp(125) = 'C2H5 + HO2 -> C2H4 + H2O2' reacexp(126) = 'C2H5 + H + M3 -> C2H6 + M3' reacexp(127) = 'C2H5 + HO2 -> C2H5O + OH' reacexp(128) = 'C2H5 + O -> C2H5O' reacexp(129) = 'C2H5 + H -> C2H4 + H2' reacexp(130) = 'C2H5 + O2 -> C2H4 + HO2' reacexp(131) = 'C2H5 + HO2 -> C2H6 + O2' reacexp(132) = 'C2H5 + CH3 -> C2H4 + CH4' reacexp(133) = 'C2H6 + S-CH2 -> C2H5 + CH3' reacexp(134) = 'C2H6 + CH3 -> C2H5 + CH4' reacexp(135) = 'C2H6 + O -> C2H5 + OH' reacexp(136) = 'C2H6 + M3 -> 2 CH3 + M3' reacexp(137) = 'C2H6 + HO2 -> C2H5 + H2O2' reacexp(138) = 'C2H6 + H -> C2H5 + H2' reacexp(139) = 'C2H6 + OH -> C2H5 + H2O' reacexp(140) = 'HCCO + O2 -> OH + 2 CO' reacexp(141) = 'HCCO + O -> H + 2 CO' reacexp(142) = 'HCCO + CH3 -> C2H4 + CO' reacexp(143) = 'HCCO + H -> S-CH2 + CO' reacexp(144) = 'CH2CO + H -> CH3 + CO' reacexp(145) = 'CH2CO + T-CH2 -> C2H4 + CO' reacexp(146) = 'CH2CO + O -> HCCO + OH' reacexp(147) = 'CH2CO + CH3 -> HCCO + CH4' reacexp(148) = 'CH2CO + O -> T-CH2 + CO2' reacexp(149) = 'CH2CO + CH3 -> C2H5 + CO' reacexp(150) = 'CH2CO + OH -> HCCO + H2O' reacexp(151) = 'CH2CO + H -> HCCO + H2' reacexp(152) = 'CH2CO + T-CH2 -> HCCO + CH3' reacexp(153) = 'CH2CHO + O -> CH2O + HCO' reacexp(154) = 'CH2CHO -> CH2CO + H' reacexp(155) = 'CH2CHO + OH -> H2O + CH2CO' reacexp(156) = 'CH2CHO + H -> CH2CO + H2' reacexp(157) = 'CH2CHO + O2 -> OH + CO + CH2O' reacexp(158) = 'CH2CHO -> CH3 + CO' reacexp(159) = 'CH2CHO + O2 -> OH + 2 HCO' reacexp(160) = 'CH2CHO + H -> CH3 + HCO' reacexp(161) = 'CH3CHO + O -> CH3 + CO + OH' reacexp(162) = 'CH3CHO + O2 -> CH3 + CO + HO2' reacexp(163) = 'CH3CHO + OH -> CH3 + CO + H2O' reacexp(164) = 'CH3CHO + H -> CH2CHO + H2' reacexp(165) = 'CH3CHO + H -> CH3 + CO + H2' reacexp(166) = 'CH3CHO + O -> CH2CHO + OH' reacexp(167) = 'CH3CHO + CH3 -> CH3 + CO + CH4' reacexp(168) = 'CH3CHO + HO2 -> CH3 + CO + H2O2' reacexp(169) = 'C2H5O -> CH3 + CH2O' reacexp(170) = 'C2H5O -> CH3CHO + H' reacexp(171) = 'C2H5O + O2 -> CH3CHO + HO2' reacexp(172) = 'S-CH2 + N2 -> T-CH2 + N2' reacexp(173) = 'Reverse of 2 H + M1 -> H2 + M1' reacexp(174) = 'Reverse of 2 H + H2 -> 2 H2' reacexp(175) = 'Reverse of O + H2 -> H + OH' reacexp(176) = 'Reverse of H + O + M3 -> OH + M3' reacexp(177) = 'Reverse of 2 O + M4 -> O2 + M4' reacexp(178) = 'Reverse of 2 OH + M3 -> H2O2 + M3' reacexp(179) = 'Reverse of H + OH + M2 -> H2O + M2' reacexp(180) = 'Reverse of 2 OH -> O + H2O' reacexp(181) = 'Reverse of OH + H2 -> H + H2O' reacexp(182) = 'Reverse of 2 H + H2O -> H2 + H2O' reacexp(183) = 'Reverse of H + O2 + M5 -> HO2 + M5' reacexp(184) = 'Reverse of H + O2 -> O + OH' reacexp(185) = 'Reverse of H2 + O2 -> HO2 + H' reacexp(186) = 'Reverse of HO2 + OH -> H2O + O2' reacexp(187) = 'Reverse of HO2 + H -> 2 OH' reacexp(188) = 'Reverse of HO2 + O -> OH + O2' reacexp(189) = 'Reverse of HO2 + H -> O + H2O' reacexp(190) = 'Reverse of HO2 + OH -> H2O + O2' reacexp(191) = 'Reverse of H2O2 + O -> HO2 + OH' reacexp(192) = 'Reverse of H2O2 + H -> H2O + OH' reacexp(193) = 'Reverse of H2O2 + H -> HO2 + H2' reacexp(194) = 'Reverse of H2O2 + OH -> HO2 + H2O' reacexp(195) = 'Reverse of H2O2 + OH -> HO2 + H2O' reacexp(196) = 'Reverse of C + O2 -> CO + O' reacexp(197) = 'Reverse of C + OH -> CO + H' reacexp(198) = 'Reverse of CH + OH -> HCO + H' reacexp(199) = 'Reverse of CH + H2 -> T-CH2 + H' reacexp(200) = 'Reverse of CH + O -> CO + H' reacexp(201) = 'Reverse of CH + O2 -> HCO + O' reacexp(202) = 'Reverse of CH + H -> C + H2' reacexp(203) = 'Reverse of CH + H2 + M3 -> CH3 + M3' reacexp(204) = 'Reverse of CH + H2O -> CH2O + H' reacexp(205) = 'Reverse of T-CH2 + H + M3 -> CH3 + M3' reacexp(206) = 'Reverse of T-CH2 + O2 -> CH2O + O' reacexp(207) = 'Reverse of T-CH2 + OH -> CH2O + H' reacexp(208) = 'Reverse of T-CH2 + HO2 -> CH2O + OH' reacexp(209) = 'Reverse of T-CH2 + OH -> CH + H2O' reacexp(210) = 'Reverse of T-CH2 + O -> HCO + H' reacexp(211) = 'Reverse of T-CH2 + H2 -> H + CH3' reacexp(212) = 'Reverse of S-CH2 + H2O -> T-CH2 + H2O' reacexp(213) = 'Reverse of S-CH2 + H -> CH + H2' reacexp(214) = 'Reverse of S-CH2 + O2 -> H + OH + CO' reacexp(215) = 'Reverse of S-CH2 + O -> CO + H2' reacexp(216) = 'Reverse of S-CH2 + O2 -> CO + H2O' reacexp(217) = 'Reverse of S-CH2 + H2 -> CH3 + H' reacexp(218) = 'Reverse of S-CH2 + O -> HCO + H' reacexp(219) = 'Reverse of S-CH2 + OH -> CH2O + H' reacexp(220) = 'Reverse of CH3 + H2O2 -> CH4 + HO2' reacexp(221) = 'Reverse of CH3 + O2 -> CH2O + OH' reacexp(222) = 'Reverse of CH3 + CH -> C2H3 + H' reacexp(223) = 'Reverse of CH3 + O -> CH2O + H' reacexp(224) = 'Reverse of CH3 + C -> C2H2 + H' reacexp(225) = 'Reverse of CH3 + H + M9 -> CH4 + M9' reacexp(226) = 'Reverse of CH3 + OH -> T-CH2 + H2O' reacexp(227) = 'Reverse of CH3 + S-CH2 -> C2H4 + H' reacexp(228) = 'Reverse of CH3 + OH -> S-CH2 + H2O' reacexp(229) = 'Reverse of 2 CH3 -> C2H5 + H' reacexp(230) = 'Reverse of CH3 + HO2 -> CH4 + O2' reacexp(231) = 'Reverse of CH3 + T-CH2 -> C2H4 + H' reacexp(232) = 'Reverse of CH4 + CH -> C2H4 + H' reacexp(233) = 'Reverse of CH4 + S-CH2 -> 2 CH3' reacexp(234) = 'Reverse of CH4 + O -> CH3 + OH' reacexp(235) = 'Reverse of CH4 + OH -> CH3 + H2O' reacexp(236) = 'Reverse of CH4 + T-CH2 -> 2 CH3' reacexp(237) = 'Reverse of CH4 + H -> CH3 + H2' reacexp(238) = 'Reverse of T-CH2 + CO + M3 -> CH2CO + M3' reacexp(239) = 'Reverse of S-CH2 + CO -> T-CH2 + CO' reacexp(240) = 'Reverse of CO + O2 -> CO2 + O' reacexp(241) = 'Reverse of CO + OH -> CO2 + H' reacexp(242) = 'Reverse of CO + H2 + M3 -> CH2O + M3' reacexp(243) = 'Reverse of CH + CO + M3 -> HCCO + M3' reacexp(244) = 'Reverse of CO + OH -> CO2 + H' reacexp(245) = 'Reverse of CO + O + M7 -> CO2 + M7' reacexp(246) = 'Reverse of CO + HO2 -> CO2 + OH' reacexp(247) = 'Reverse of HCO + H -> CO + H2' reacexp(248) = 'Reverse of HCO + H + M3 -> CH2O + M3' reacexp(249) = 'Reverse of CH3 + HCO -> CH3CHO' reacexp(250) = 'Reverse of HCO + M8 -> CO + H + M8' reacexp(251) = 'Reverse of HCO + H2O -> CO + H + H2O' reacexp(252) = 'Reverse of HCO + O -> CO + OH' reacexp(253) = 'Reverse of HCO + OH -> CO + H2O' reacexp(254) = 'Reverse of CH3 + HCO -> CH4 + CO' reacexp(255) = 'Reverse of HCO + O -> CO2 + H' reacexp(256) = 'Reverse of HCO + O2 -> CO + HO2' reacexp(257) = 'Reverse of CH2O + H -> HCO + H2' reacexp(258) = 'Reverse of CH2O + O -> HCO + OH' reacexp(259) = 'Reverse of CH3 + CH2O -> CH4 + HCO' reacexp(260) = 'Reverse of CH2O + OH -> HCO + H2O' reacexp(261) = 'Reverse of CH2O + CH -> CH2CO + H' reacexp(262) = 'Reverse of CH2O + O2 -> HCO + HO2' reacexp(263) = 'Reverse of CH2O + HO2 -> HCO + H2O2' reacexp(264) = 'Reverse of 2 H + CO2 -> H2 + CO2' reacexp(265) = 'Reverse of S-CH2 + CO2 -> T-CH2 + CO2' reacexp(266) = 'Reverse of S-CH2 + CO2 -> CH2O + CO' reacexp(267) = 'Reverse of CH + CO2 -> HCO + CO' reacexp(268) = 'Reverse of C2H2 + O -> T-CH2 + CO' reacexp(269) = 'Reverse of C2H2 + OH -> CH3 + CO' reacexp(270) = 'Reverse of C2H2 + H + M3 -> C2H3 + M3' reacexp(271) = 'Reverse of C2H2 + OH -> CH2CO + H' reacexp(272) = 'Reverse of C2H2 + O -> HCCO + H' reacexp(273) = 'Reverse of C2H3 + OH -> C2H2 + H2O' reacexp(274) = 'Reverse of C2H3 + O2 -> CH2CHO + O' reacexp(275) = 'Reverse of C2H3 + O -> CH2CHO' reacexp(276) = 'Reverse of C2H3 + H -> C2H2 + H2' reacexp(277) = 'Reverse of C2H3 + CH3 -> C2H2 + CH4' reacexp(278) = 'Reverse of C2H3 + O2 -> HCO + CH2O' reacexp(279) = 'Reverse of C2H3 + H + M3 -> C2H4 + M3' reacexp(280) = 'Reverse of C2H3 + H2O2 -> C2H4 + HO2' reacexp(281) = 'Reverse of C2H3 + O2 -> C2H2 + HO2' reacexp(282) = 'Reverse of C2H4 + CH3 -> C2H3 + CH4' reacexp(283) = 'Reverse of C2H4 + H + M3 -> C2H5 + M3' reacexp(284) = 'Reverse of C2H4 + OH -> C2H3 + H2O' reacexp(285) = 'Reverse of C2H4 + OH -> C2H5O' reacexp(286) = 'Reverse of C2H4 + O -> CH2CHO + H' reacexp(287) = 'Reverse of C2H4 + O -> CH3 + HCO' reacexp(288) = 'Reverse of C2H4 + O2 -> C2H3 + HO2' reacexp(289) = 'Reverse of C2H4 + H -> C2H3 + H2' reacexp(290) = 'Reverse of C2H4 + O -> T-CH2 + CH2O' reacexp(291) = 'Reverse of C2H5 + HO2 -> C2H4 + H2O2' reacexp(292) = 'Reverse of C2H5 + H + M3 -> C2H6 + M3' reacexp(293) = 'Reverse of C2H5 + HO2 -> C2H5O + OH' reacexp(294) = 'Reverse of C2H5 + O -> C2H5O' reacexp(295) = 'Reverse of C2H5 + H -> C2H4 + H2' reacexp(296) = 'Reverse of C2H5 + O2 -> C2H4 + HO2' reacexp(297) = 'Reverse of C2H5 + HO2 -> C2H6 + O2' reacexp(298) = 'Reverse of C2H5 + CH3 -> C2H4 + CH4' reacexp(299) = 'Reverse of C2H6 + S-CH2 -> C2H5 + CH3' reacexp(300) = 'Reverse of C2H6 + CH3 -> C2H5 + CH4' reacexp(301) = 'Reverse of C2H6 + O -> C2H5 + OH' reacexp(302) = 'Reverse of C2H6 + M3 -> 2 CH3 + M3' reacexp(303) = 'Reverse of C2H6 + HO2 -> C2H5 + H2O2' reacexp(304) = 'Reverse of C2H6 + H -> C2H5 + H2' reacexp(305) = 'Reverse of C2H6 + OH -> C2H5 + H2O' reacexp(306) = 'Reverse of HCCO + O2 -> OH + 2 CO' reacexp(307) = 'Reverse of HCCO + O -> H + 2 CO' reacexp(308) = 'Reverse of HCCO + CH3 -> C2H4 + CO' reacexp(309) = 'Reverse of HCCO + H -> S-CH2 + CO' reacexp(310) = 'Reverse of CH2CO + H -> CH3 + CO' reacexp(311) = 'Reverse of CH2CO + T-CH2 -> C2H4 + CO' reacexp(312) = 'Reverse of CH2CO + O -> HCCO + OH' reacexp(313) = 'Reverse of CH2CO + CH3 -> HCCO + CH4' reacexp(314) = 'Reverse of CH2CO + O -> T-CH2 + CO2' reacexp(315) = 'Reverse of CH2CO + CH3 -> C2H5 + CO' reacexp(316) = 'Reverse of CH2CO + OH -> HCCO + H2O' reacexp(317) = 'Reverse of CH2CO + H -> HCCO + H2' reacexp(318) = 'Reverse of CH2CO + T-CH2 -> HCCO + CH3' reacexp(319) = 'Reverse of CH2CHO + O -> CH2O + HCO' reacexp(320) = 'Reverse of CH2CHO -> CH2CO + H' reacexp(321) = 'Reverse of CH2CHO + OH -> H2O + CH2CO' reacexp(322) = 'Reverse of CH2CHO + H -> CH2CO + H2' reacexp(323) = 'Reverse of CH2CHO -> CH3 + CO' reacexp(324) = 'Reverse of CH2CHO + H -> CH3 + HCO' reacexp(325) = 'Reverse of CH3CHO + H -> CH2CHO + H2' reacexp(326) = 'Reverse of CH3CHO + O -> CH2CHO + OH' reacexp(327) = 'Reverse of C2H5O -> CH3 + CH2O' reacexp(328) = 'Reverse of C2H5O -> CH3CHO + H' reacexp(329) = 'Reverse of C2H5O + O2 -> CH3CHO + HO2' reacexp(330) = 'Reverse of S-CH2 + N2 -> T-CH2 + N2' return end subroutine reaction_expressions ! --- Forward/Backward link --- ! subroutine reverse_reactions use mechanism implicit none fofb = 0 ! Attach corresponding forward reaction to each backward reaction fofb(173) = 1 fofb(174) = 2 fofb(175) = 3 fofb(176) = 4 fofb(177) = 5 fofb(178) = 6 fofb(179) = 7 fofb(180) = 8 fofb(181) = 9 fofb(182) = 10 fofb(183) = 11 fofb(184) = 12 fofb(185) = 13 fofb(186) = 14 fofb(187) = 15 fofb(188) = 16 fofb(189) = 17 fofb(190) = 18 fofb(191) = 19 fofb(192) = 20 fofb(193) = 21 fofb(194) = 22 fofb(195) = 23 fofb(196) = 24 fofb(197) = 25 fofb(198) = 26 fofb(199) = 27 fofb(200) = 28 fofb(201) = 29 fofb(202) = 30 fofb(203) = 31 fofb(204) = 32 fofb(205) = 33 fofb(206) = 35 fofb(207) = 36 fofb(208) = 37 fofb(209) = 39 fofb(210) = 40 fofb(211) = 41 fofb(212) = 42 fofb(213) = 43 fofb(214) = 44 fofb(215) = 45 fofb(216) = 46 fofb(217) = 47 fofb(218) = 48 fofb(219) = 50 fofb(220) = 52 fofb(221) = 53 fofb(222) = 54 fofb(223) = 55 fofb(224) = 56 fofb(225) = 57 fofb(226) = 58 fofb(227) = 59 fofb(228) = 60 fofb(229) = 61 fofb(230) = 62 fofb(231) = 63 fofb(232) = 65 fofb(233) = 66 fofb(234) = 67 fofb(235) = 68 fofb(236) = 69 fofb(237) = 70 fofb(238) = 71 fofb(239) = 72 fofb(240) = 73 fofb(241) = 74 fofb(242) = 75 fofb(243) = 76 fofb(244) = 77 fofb(245) = 78 fofb(246) = 79 fofb(247) = 80 fofb(248) = 81 fofb(249) = 82 fofb(250) = 83 fofb(251) = 84 fofb(252) = 85 fofb(253) = 86 fofb(254) = 87 fofb(255) = 88 fofb(256) = 89 fofb(257) = 90 fofb(258) = 91 fofb(259) = 92 fofb(260) = 93 fofb(261) = 94 fofb(262) = 95 fofb(263) = 96 fofb(264) = 97 fofb(265) = 98 fofb(266) = 99 fofb(267) = 100 fofb(268) = 101 fofb(269) = 102 fofb(270) = 103 fofb(271) = 104 fofb(272) = 105 fofb(273) = 106 fofb(274) = 107 fofb(275) = 108 fofb(276) = 109 fofb(277) = 110 fofb(278) = 111 fofb(279) = 112 fofb(280) = 113 fofb(281) = 114 fofb(282) = 115 fofb(283) = 116 fofb(284) = 118 fofb(285) = 119 fofb(286) = 120 fofb(287) = 121 fofb(288) = 122 fofb(289) = 123 fofb(290) = 124 fofb(291) = 125 fofb(292) = 126 fofb(293) = 127 fofb(294) = 128 fofb(295) = 129 fofb(296) = 130 fofb(297) = 131 fofb(298) = 132 fofb(299) = 133 fofb(300) = 134 fofb(301) = 135 fofb(302) = 136 fofb(303) = 137 fofb(304) = 138 fofb(305) = 139 fofb(306) = 140 fofb(307) = 141 fofb(308) = 142 fofb(309) = 143 fofb(310) = 144 fofb(311) = 145 fofb(312) = 146 fofb(313) = 147 fofb(314) = 148 fofb(315) = 149 fofb(316) = 150 fofb(317) = 151 fofb(318) = 152 fofb(319) = 153 fofb(320) = 154 fofb(321) = 155 fofb(322) = 156 fofb(323) = 158 fofb(324) = 160 fofb(325) = 164 fofb(326) = 166 fofb(327) = 169 fofb(328) = 170 fofb(329) = 171 fofb(330) = 172 return end subroutine reverse_reactions ! --- Evaluation of QSS concentrations --- ! subroutine get_QSS(cqss,c,k,M) use mechanism implicit none real(WP), dimension(nqss) :: cqss real(WP), dimension(nspec) :: c real(WP), dimension(nreac) :: k real(WP), dimension(9) :: M real(WP) :: C2H5_denom1 & , C2H5_ct1 & , C2H5_denom2 & , C2H5_ct2 & , C2H5_SXCH2 & , C2H5_CH & , C2H5_TXCH2 & , C2H5_HCCO & , C2H5_C2H3 & , C2H5_C & , C2H5_SXCH2_coeff & , C2H5_CH_coeff & , C2H5_TXCH2_coeff & , C2H5_HCCO_coeff & , C2H5_C2H3_coeff & , C2H5_C_coeff real(WP) :: TXCH2_denom1 & , TXCH2_ct1 & , TXCH2_denom2 & , TXCH2_ct2 & , TXCH2_HCCO & , TXCH2_C2H3 & , TXCH2_C & , TXCH2_HCCO_coeff & , TXCH2_C2H3_coeff & , TXCH2_C_coeff real(WP) :: SXCH2_denom1 & , SXCH2_ct1 & , SXCH2_denom2 & , SXCH2_ct2 & , SXCH2_CH & , SXCH2_TXCH2 & , SXCH2_HCCO & , SXCH2_C2H3 & , SXCH2_C & , SXCH2_CH_coeff & , SXCH2_TXCH2_coeff & , SXCH2_HCCO_coeff & , SXCH2_C2H3_coeff & , SXCH2_C_coeff real(WP) :: CH_denom1 & , CH_ct1 & , CH_denom2 & , CH_ct2 & , CH_TXCH2 & , CH_HCCO & , CH_C2H3 & , CH_C & , CH_TXCH2_coeff & , CH_HCCO_coeff & , CH_C2H3_coeff & , CH_C_coeff real(WP) :: CH2CHO_denom1 & , CH2CHO_ct1 & , CH2CHO_denom2 & , CH2CHO_ct2 & , CH2CHO_C2H5 & , CH2CHO_SXCH2 & , CH2CHO_CH & , CH2CHO_TXCH2 & , CH2CHO_HCCO & , CH2CHO_C2H3 & , CH2CHO_C & , CH2CHO_C2H5_coeff & , CH2CHO_SXCH2_coeff & , CH2CHO_CH_coeff & , CH2CHO_TXCH2_coeff & , CH2CHO_HCCO_coeff & , CH2CHO_C2H3_coeff & , CH2CHO_C_coeff real(WP) :: C2H3_denom1 & , C2H3_ct1 & , C2H3_denom2 & , C2H3_ct2 & , C2H3_C & , C2H3_C_coeff real(WP) :: C2H5O_denom1 & , C2H5O_ct1 & , C2H5O_denom2 & , C2H5O_ct2 & , C2H5O_HCO & , C2H5O_CH2CHO & , C2H5O_C2H5 & , C2H5O_SXCH2 & , C2H5O_CH & , C2H5O_TXCH2 & , C2H5O_HCCO & , C2H5O_C2H3 & , C2H5O_C & , C2H5O_HCO_coeff & , C2H5O_CH2CHO_coeff & , C2H5O_C2H5_coeff & , C2H5O_SXCH2_coeff & , C2H5O_CH_coeff & , C2H5O_TXCH2_coeff & , C2H5O_HCCO_coeff & , C2H5O_C2H3_coeff & , C2H5O_C_coeff real(WP) :: C_denom1 & , C_ct1 & , C_denom2 & , C_ct2 real(WP) :: CH3CHO_denom1 & , CH3CHO_ct1 & , CH3CHO_denom2 & , CH3CHO_ct2 & , CH3CHO_C2H5O & , CH3CHO_HCO & , CH3CHO_CH2CHO & , CH3CHO_C2H5 & , CH3CHO_SXCH2 & , CH3CHO_CH & , CH3CHO_TXCH2 & , CH3CHO_HCCO & , CH3CHO_C2H3 & , CH3CHO_C & , CH3CHO_C2H5O_coeff & , CH3CHO_HCO_coeff & , CH3CHO_CH2CHO_coeff & , CH3CHO_C2H5_coeff & , CH3CHO_SXCH2_coeff & , CH3CHO_CH_coeff & , CH3CHO_TXCH2_coeff & , CH3CHO_HCCO_coeff & , CH3CHO_C2H3_coeff & , CH3CHO_C_coeff real(WP) :: HCCO_denom1 & , HCCO_ct1 & , HCCO_denom2 & , HCCO_ct2 & , HCCO_C2H3 & , HCCO_C & , HCCO_C2H3_coeff & , HCCO_C_coeff real(WP) :: HCO_denom1 & , HCO_ct1 & , HCO_denom2 & , HCO_ct2 & , HCO_CH2CHO & , HCO_C2H5 & , HCO_SXCH2 & , HCO_CH & , HCO_TXCH2 & , HCO_HCCO & , HCO_C2H3 & , HCO_C & , HCO_CH2CHO_coeff & , HCO_C2H5_coeff & , HCO_SXCH2_coeff & , HCO_CH_coeff & , HCO_TXCH2_coeff & , HCO_HCCO_coeff & , HCO_C2H3_coeff & , HCO_C_coeff ! c(sCH3CHO) c(sC2H5O) c(sHCO) c(sCH2CHO) c(sC2H5) c(sSXCH2) c(sCH) c(sTXCH2) c(sHCCO) c(sC2H3) c(sC) (coupled) -------------------- ! Primary denominators----------------------- CH3CHO_denom1 = tiny(1.0_WP) + ( 0.0_WP & + k(rG87b) & + k(rG174) * c(sO) & + k(rG175) * c(sO2) & + k(rG176) * c(sOH) & + k(rG177f) * c(sH) & + k(rG178) * c(sH) & + k(rG179f) * c(sO) & + k(rG180) * c(sCH3) & + k(rG181) * c(sHO2) & + k(rG183b) * c(sH) & + k(rG184b) * c(sHO2) & ) C2H5O_denom1 = tiny(1.0_WP) + ( 0.0_WP & + k(rG126b) & + k(rR134b) * c(sOH) & + k(rG135b) & + k(rG182f) & + k(rG183f) & + k(rG184f) * c(sO2) & ) HCO_denom1 = tiny(1.0_WP) + ( 0.0_WP & + k(rG28b) * c(sH) & + k(rG31b) * c(sO) & + k(rG43b) * c(sH) & + k(rG53b) * c(sH) & + k(r85f) * c(sH) & + k(rG86f) * c(sH) & + k(rG87f) * c(sCH3) & + k(r88f) * M(mM8) & + k(r89f) * c(sH2O) & + k(r90f) * c(sO) & + k(r91f) * c(sOH) & + k(rG92f) * c(sCH3) & + k(r93f) * c(sO) & + k(r94f) * c(sO2) & + k(rG95b) * c(sH2) & + k(rG96b) * c(sOH) & + k(rG97b) * c(sCH4) & + k(rG98b) * c(sH2O) & + k(rG100b) * c(sHO2) & + k(rG101b) * c(sH2O2) & + k(rG105b) * c(sCO) & + k(rG117b) * c(sCH2O) & + k(rG128b) * c(sCH3) & + k(rG166b) * c(sCH2O) & + k(rG173b) * c(sCH3) & ) CH2CHO_denom1 = tiny(1.0_WP) + ( 0.0_WP & + k(rG112b) * c(sO) & + k(rG113b) & + k(rG127b) * c(sH) & + k(rG166f) * c(sO) & + k(rG167f) & + k(rG168f) * c(sOH) & + k(rG169f) * c(sH) & + k(rG170) * c(sO2) & + k(rG171f) & + k(rG172) * c(sO2) & + k(rG173f) * c(sH) & + k(rG177b) * c(sH2) & + k(rG179b) * c(sOH) & ) C2H5_denom1 = tiny(1.0_WP) + ( 0.0_WP & + k(rG66b) * c(sH) & + k(rG123b) & + k(rR132f) * c(sHO2) & + k(rG133f) * c(sH) & + k(rR134f) * c(sHO2) & + k(rG135f) * c(sO) & + k(rG136f) * c(sH) & + k(rG137f) * c(sO2) & + k(rR139f) * c(sHO2) & + k(rG140f) * c(sCH3) & + k(rG141b) * c(sCH3) & + k(rG142b) * c(sCH4) & + k(rG143b) * c(sOH) & + k(rR145b) * c(sH2O2) & + k(rG146b) * c(sH2) & + k(rG147b) * c(sH2O) & + k(rR161b) * c(sCO) & ) SXCH2_denom1 = tiny(1.0_WP) + ( 0.0_WP & + k(rG47f) * c(sH2O) & + k(rG48f) * c(sH) & + k(rG49f) * c(sO2) & + k(rG50f) * c(sO) & + k(rG51f) * c(sO2) & + k(rG52f) * c(sH2) & + k(rG53f) * c(sO) & + k(rG54) * c(sH2O) & + k(rG55f) * c(sOH) & + k(rG64f) * c(sCH3) & + k(rG65b) * c(sH2O) & + k(rG71f) * c(sCH4) & + k(rG77f) * c(sCO) & + k(rG103f) * c(sCO2) & + k(rG104f) * c(sCO2) & + k(rG141f) * c(sC2H6) & + k(rG155b) * c(sCO) & + k(rG185f) * c(sN2) & ) CH_denom1 = tiny(1.0_WP) + ( 0.0_WP & + k(rG28f) * c(sOH) & + k(rG29f) * c(sH2) & + k(rG30f) * c(sO) & + k(rG31f) * c(sO2) & + k(rG32f) * c(sH) & + k(rG33f) * c(sH2) & + k(rG34f) * c(sH2O) & + k(rG42b) * c(sH2O) & + k(rG48b) * c(sH2) & + k(rG59f) * c(sCH3) & + k(rG70f) * c(sCH4) & + k(rG81f) * c(sCO) & + k(rG99f) * c(sCH2O) & + k(rG105f) * c(sCO2) & ) TXCH2_denom1 = tiny(1.0_WP) + ( 0.0_WP & + k(rG29b) * c(sH) & + k(rG35f) * c(sH) & + k(rG36) * c(sO2) & + k(rG37f) * c(sO2) & + k(rG38f) * c(sOH) & + k(rG40f) * c(sHO2) & + k(rG41) * c(sO2) & + k(rG42f) * c(sOH) & + k(rG43f) * c(sO) & + k(rG46f) * c(sH2) & + k(rG47b) * c(sH2O) & + k(rG63b) * c(sH2O) & + k(rG68f) * c(sCH3) & + k(rG74f) * c(sCH4) & + k(rG76f) * c(sCO) & + k(rG77b) * c(sCO) & + k(rG103b) * c(sCO2) & + k(rG106b) * c(sCO) & + k(rG131b) * c(sCH2O) & + k(rR157f) * c(sCH2CO) & + k(rG160b) * c(sCO2) & + k(rR164f) * c(sCH2CO) & + k(rG185b) * c(sN2) & ) HCCO_denom1 = tiny(1.0_WP) + ( 0.0_WP & + k(rG81b) & + k(rG110b) * c(sH) & + k(rG149f) * c(sO2) & + k(rG151f) * c(sO) & + k(rR154f) * c(sCH3) & + k(rG155f) * c(sH) & + k(rG158b) * c(sOH) & + k(rR159b) * c(sCH4) & + k(rG162b) * c(sH2O) & + k(rG163b) * c(sH2) & + k(rR164b) * c(sCH3) & ) C2H3_denom1 = tiny(1.0_WP) + ( 0.0_WP & + k(rG59b) * c(sH) & + k(rG108b) & + k(rG111f) * c(sOH) & + k(rG112f) * c(sO2) & + k(rG113f) * c(sO) & + k(rG114f) * c(sH) & + k(rR116f) * c(sCH3) & + k(rG117f) * c(sO2) & + k(rG119f) * c(sH) & + k(rR120f) * c(sH2O2) & + k(rG121f) * c(sO2) & + k(rG122b) * c(sCH4) & + k(rG125b) * c(sH2O) & + k(rR129b) * c(sHO2) & + k(rG130b) * c(sH2) & ) C_denom1 = tiny(1.0_WP) + ( 0.0_WP & + k(rG26f) * c(sO2) & + k(rG27f) * c(sOH) & + k(rG32b) * c(sH2) & + k(rG61f) * c(sCH3) & ) ! Primary constant parts ----------------------- CH3CHO_ct1 = ( 0.0_WP & ) C2H5O_ct1 = ( 0.0_WP & + k(rG126f) * c(sC2H4) * c(sOH) & + k(rG182b) * c(sCH2O) * c(sCH3) & ) HCO_ct1 = ( 0.0_WP & + k(r85b) * c(sH2) * c(sCO) & + k(rG86b) * c(sCH2O) & + k(r88b) * c(sH) * c(sCO) * M(mM8) & + k(r89b) * c(sH2O) * c(sH) * c(sCO) & + k(r90b) * c(sOH) * c(sCO) & + k(r91b) * c(sH2O) * c(sCO) & + k(rG92b) * c(sCO) * c(sCH4) & + k(r93b) * c(sH) * c(sCO2) & + k(r94b) * c(sHO2) * c(sCO) & + k(rG95f) * c(sCH2O) * c(sH) & + k(rG96f) * c(sCH2O) * c(sO) & + k(rG97f) * c(sCH3) * c(sCH2O) & + k(rG98f) * c(sCH2O) * c(sOH) & + k(rG100f) * c(sCH2O) * c(sO2) & + k(rG101f) * c(sCH2O) * c(sHO2) & + k(rG128f) * c(sC2H4) * c(sO) & ) CH2CHO_ct1 = ( 0.0_WP & + k(rG127f) * c(sC2H4) * c(sO) & + k(rG167b) * c(sH) * c(sCH2CO) & + k(rG168b) * c(sCH2CO) * c(sH2O) & + k(rG169b) * c(sH2) * c(sCH2CO) & + k(rG171b) * c(sCO) * c(sCH3) & ) C2H5_ct1 = ( 0.0_WP & + k(rG66f) * c(sCH3) * c(sCH3) & + k(rG123f) * c(sC2H4) * c(sH) & + k(rR132b) * c(sH2O2) * c(sC2H4) & + k(rG133b) * c(sC2H6) & + k(rG136b) * c(sH2) * c(sC2H4) & + k(rG137b) * c(sHO2) * c(sC2H4) & + k(rR139b) * c(sO2) * c(sC2H6) & + k(rG140b) * c(sCH4) * c(sC2H4) & + k(rG142f) * c(sC2H6) * c(sCH3) & + k(rG143f) * c(sC2H6) * c(sO) & + k(rR145f) * c(sC2H6) * c(sHO2) & + k(rG146f) * c(sC2H6) * c(sH) & + k(rG147f) * c(sC2H6) * c(sOH) & + k(rR161f) * c(sCH2CO) * c(sCH3) & ) SXCH2_ct1 = ( 0.0_WP & + k(rG49b) * c(sCO) * c(sOH) * c(sH) & + k(rG50b) * c(sH2) * c(sCO) & + k(rG51b) * c(sH2O) * c(sCO) & + k(rG52b) * c(sH) * c(sCH3) & + k(rG55b) * c(sH) * c(sCH2O) & + k(rG64b) * c(sH) * c(sC2H4) & + k(rG65f) * c(sCH3) * c(sOH) & + k(rG71b) * c(sCH3) * c(sCH3) & + k(rG104b) * c(sCO) * c(sCH2O) & ) CH_ct1 = ( 0.0_WP & + k(rG30b) * c(sH) * c(sCO) & + k(rG33b) * c(sCH3) & + k(rG34b) * c(sH) * c(sCH2O) & + k(rG70b) * c(sH) * c(sC2H4) & + k(rG99b) * c(sH) * c(sCH2CO) & ) TXCH2_ct1 = ( 0.0_WP & + k(rG35b) * c(sCH3) & + k(rG37b) * c(sO) * c(sCH2O) & + k(rG38b) * c(sH) * c(sCH2O) & + k(rG40b) * c(sOH) * c(sCH2O) & + k(rG46b) * c(sCH3) * c(sH) & + k(rG63f) * c(sCH3) * c(sOH) & + k(rG68b) * c(sH) * c(sC2H4) & + k(rG74b) * c(sCH3) * c(sCH3) & + k(rG76b) * c(sCH2CO) & + k(rG106f) * c(sC2H2) * c(sO) & + k(rG131f) * c(sC2H4) * c(sO) & + k(rR157b) * c(sCO) * c(sC2H4) & + k(rG160f) * c(sCH2CO) * c(sO) & ) HCCO_ct1 = ( 0.0_WP & + k(rG110f) * c(sC2H2) * c(sO) & + k(rG149b) * c(sCO) * c(sCO) * c(sOH) & + k(rG151b) * c(sCO) * c(sCO) * c(sH) & + k(rR154b) * c(sCO) * c(sC2H4) & + k(rG158f) * c(sCH2CO) * c(sO) & + k(rR159f) * c(sCH2CO) * c(sCH3) & + k(rG162f) * c(sCH2CO) * c(sOH) & + k(rG163f) * c(sCH2CO) * c(sH) & ) C2H3_ct1 = ( 0.0_WP & + k(rG108f) * c(sC2H2) * c(sH) & + k(rG111b) * c(sH2O) * c(sC2H2) & + k(rG114b) * c(sH2) * c(sC2H2) & + k(rR116b) * c(sCH4) * c(sC2H2) & + k(rG119b) * c(sC2H4) & + k(rR120b) * c(sHO2) * c(sC2H4) & + k(rG121b) * c(sHO2) * c(sC2H2) & + k(rG122f) * c(sC2H4) * c(sCH3) & + k(rG125f) * c(sC2H4) * c(sOH) & + k(rR129f) * c(sC2H4) * c(sO2) & + k(rG130f) * c(sC2H4) * c(sH) & ) C_ct1 = ( 0.0_WP & + k(rG26b) * c(sO) * c(sCO) & + k(rG27b) * c(sH) * c(sCO) & + k(rG61b) * c(sH) * c(sC2H2) & ) ! CH3CHO --------------------------------------- CH3CHO_denom2 = tiny(1.0_WP) + ( CH3CHO_denom1 & ) CH3CHO_ct2 = ( CH3CHO_ct1 & ) / CH3CHO_denom2 CH3CHO_C2H5O = ( 0.0_WP & + k(rG183f) + k(rG184f) * c(sO2) & ) / CH3CHO_denom2 CH3CHO_HCO = ( 0.0_WP & + k(rG87f) * c(sCH3) & ) / CH3CHO_denom2 CH3CHO_CH2CHO = ( 0.0_WP & + k(rG177b) * c(sH2) + & k(rG179b) * c(sOH) & ) / CH3CHO_denom2 CH3CHO_C2H5 = ( 0.0_WP & ) / CH3CHO_denom2 CH3CHO_SXCH2 = ( 0.0_WP & ) / CH3CHO_denom2 CH3CHO_CH = ( 0.0_WP & ) / CH3CHO_denom2 CH3CHO_TXCH2 = ( 0.0_WP & ) / CH3CHO_denom2 CH3CHO_HCCO = ( 0.0_WP & ) / CH3CHO_denom2 CH3CHO_C2H3 = ( 0.0_WP & ) / CH3CHO_denom2 CH3CHO_C = ( 0.0_WP & ) / CH3CHO_denom2 CH3CHO_C2H5O_coeff = ( 0.0_WP & + k(rG183b) * c(sH) + & k(rG184b) * c(sHO2) & ) CH3CHO_HCO_coeff = ( 0.0_WP & + k(rG87b) & ) CH3CHO_CH2CHO_coeff = ( 0.0_WP & + k(rG177f) * c(sH)+ & k(rG179f) * c(sO) & ) CH3CHO_C2H5_coeff = ( 0.0_WP & ) CH3CHO_SXCH2_coeff = ( 0.0_WP & ) CH3CHO_CH_coeff = ( 0.0_WP & ) CH3CHO_TXCH2_coeff = ( 0.0_WP & ) CH3CHO_HCCO_coeff = ( 0.0_WP & ) CH3CHO_C2H3_coeff = ( 0.0_WP & ) CH3CHO_C_coeff = ( 0.0_WP & ) ! C2H5O --------------------------------------- C2H5O_denom2 = tiny(1.0_WP) + ( C2H5O_denom1 & - CH3CHO_C2H5O_coeff * CH3CHO_C2H5O & ) C2H5O_ct2 = ( C2H5O_ct1 & + CH3CHO_C2H5O_coeff * CH3CHO_ct2 & ) / C2H5O_denom2 C2H5O_HCO = ( 0.0_WP & + CH3CHO_C2H5O_coeff * CH3CHO_HCO & ) / C2H5O_denom2 C2H5O_CH2CHO = ( 0.0_WP & + CH3CHO_C2H5O_coeff * CH3CHO_CH2CHO & ) / C2H5O_denom2 C2H5O_C2H5 = ( 0.0_WP & + k(rR134f) * c(sHO2)+ & k(rG135f) * c(sO) & + CH3CHO_C2H5O_coeff * CH3CHO_C2H5 & ) / C2H5O_denom2 C2H5O_SXCH2 = ( 0.0_WP & + CH3CHO_C2H5O_coeff * CH3CHO_SXCH2 & ) / C2H5O_denom2 C2H5O_CH = ( 0.0_WP & + CH3CHO_C2H5O_coeff * CH3CHO_CH & ) / C2H5O_denom2 C2H5O_TXCH2 = ( 0.0_WP & + CH3CHO_C2H5O_coeff * CH3CHO_TXCH2 & ) / C2H5O_denom2 C2H5O_HCCO = ( 0.0_WP & + CH3CHO_C2H5O_coeff * CH3CHO_HCCO & ) / C2H5O_denom2 C2H5O_C2H3 = ( 0.0_WP & + CH3CHO_C2H5O_coeff * CH3CHO_C2H3 & ) / C2H5O_denom2 C2H5O_C = ( 0.0_WP & + CH3CHO_C2H5O_coeff * CH3CHO_C & ) / C2H5O_denom2 C2H5O_HCO_coeff = ( 0.0_WP & + CH3CHO_HCO_coeff * CH3CHO_C2H5O & ) C2H5O_CH2CHO_coeff = ( 0.0_WP & + CH3CHO_CH2CHO_coeff * CH3CHO_C2H5O & ) C2H5O_C2H5_coeff = ( 0.0_WP & + k(rR134b) * c(sOH) + & k(rG135b) & + CH3CHO_C2H5_coeff * CH3CHO_C2H5O & ) C2H5O_SXCH2_coeff = ( 0.0_WP & + CH3CHO_SXCH2_coeff * CH3CHO_C2H5O & ) C2H5O_CH_coeff = ( 0.0_WP & + CH3CHO_CH_coeff * CH3CHO_C2H5O & ) C2H5O_TXCH2_coeff = ( 0.0_WP & + CH3CHO_TXCH2_coeff * CH3CHO_C2H5O & ) C2H5O_HCCO_coeff = ( 0.0_WP & + CH3CHO_HCCO_coeff * CH3CHO_C2H5O & ) C2H5O_C2H3_coeff = ( 0.0_WP & + CH3CHO_C2H3_coeff * CH3CHO_C2H5O & ) C2H5O_C_coeff = ( 0.0_WP & + CH3CHO_C_coeff * CH3CHO_C2H5O & ) ! HCO --------------------------------------- HCO_denom2 = tiny(1.0_WP) + ( HCO_denom1 & - CH3CHO_HCO_coeff * CH3CHO_HCO & - C2H5O_HCO_coeff * C2H5O_HCO & ) HCO_ct2 = ( HCO_ct1 & + CH3CHO_HCO_coeff * CH3CHO_ct2 & + C2H5O_HCO_coeff * C2H5O_ct2 & ) / HCO_denom2 HCO_CH2CHO = ( 0.0_WP & + k(rG166f) * c(sO)+ & k(rG172) * 2.0 * c(sO2)+ & k(rG173f) * c(sH) & + CH3CHO_HCO_coeff * CH3CHO_CH2CHO & + C2H5O_HCO_coeff * C2H5O_CH2CHO & ) / HCO_denom2 HCO_C2H5 = ( 0.0_WP & + CH3CHO_HCO_coeff * CH3CHO_C2H5 & + C2H5O_HCO_coeff * C2H5O_C2H5 & ) / HCO_denom2 HCO_SXCH2 = ( 0.0_WP & + k(rG53f) * c(sO) & + CH3CHO_HCO_coeff * CH3CHO_SXCH2 & + C2H5O_HCO_coeff * C2H5O_SXCH2 & ) / HCO_denom2 HCO_CH = ( 0.0_WP & + k(rG28f) * c(sOH)+ & k(rG31f) * c(sO2)+ & k(rG105f) * c(sCO2) & + CH3CHO_HCO_coeff * CH3CHO_CH & + C2H5O_HCO_coeff * C2H5O_CH & ) / HCO_denom2 HCO_TXCH2 = ( 0.0_WP & + k(rG43f) * c(sO) & + CH3CHO_HCO_coeff * CH3CHO_TXCH2 & + C2H5O_HCO_coeff * C2H5O_TXCH2 & ) / HCO_denom2 HCO_HCCO = ( 0.0_WP & + CH3CHO_HCO_coeff * CH3CHO_HCCO & + C2H5O_HCO_coeff * C2H5O_HCCO & ) / HCO_denom2 HCO_C2H3 = ( 0.0_WP & + k(rG117f) * c(sO2) & + CH3CHO_HCO_coeff * CH3CHO_C2H3 & + C2H5O_HCO_coeff * C2H5O_C2H3 & ) / HCO_denom2 HCO_C = ( 0.0_WP & + CH3CHO_HCO_coeff * CH3CHO_C & + C2H5O_HCO_coeff * C2H5O_C & ) / HCO_denom2 HCO_CH2CHO_coeff = ( 0.0_WP & + k(rG166b) * c(sCH2O)+ & k(rG173b) * c(sCH3) & + CH3CHO_CH2CHO_coeff * CH3CHO_HCO & + C2H5O_CH2CHO_coeff * C2H5O_HCO & ) HCO_C2H5_coeff = ( 0.0_WP & + CH3CHO_C2H5_coeff * CH3CHO_HCO & + C2H5O_C2H5_coeff * C2H5O_HCO & ) HCO_SXCH2_coeff = ( 0.0_WP & + k(rG53b) * c(sH) & + CH3CHO_SXCH2_coeff * CH3CHO_HCO & + C2H5O_SXCH2_coeff * C2H5O_HCO & ) HCO_CH_coeff = ( 0.0_WP & + k(rG28b) * c(sH) + & k(rG31b) * c(sO) + & k(rG105b) * c(sCO) & + CH3CHO_CH_coeff * CH3CHO_HCO & + C2H5O_CH_coeff * C2H5O_HCO & ) HCO_TXCH2_coeff = ( 0.0_WP & + k(rG43b) * c(sH) & + CH3CHO_TXCH2_coeff * CH3CHO_HCO & + C2H5O_TXCH2_coeff * C2H5O_HCO & ) HCO_HCCO_coeff = ( 0.0_WP & + CH3CHO_HCCO_coeff * CH3CHO_HCO & + C2H5O_HCCO_coeff * C2H5O_HCO & ) HCO_C2H3_coeff = ( 0.0_WP & + k(rG117b) * c(sCH2O) & + CH3CHO_C2H3_coeff * CH3CHO_HCO & + C2H5O_C2H3_coeff * C2H5O_HCO & ) HCO_C_coeff = ( 0.0_WP & + CH3CHO_C_coeff * CH3CHO_HCO & + C2H5O_C_coeff * C2H5O_HCO & ) ! CH2CHO --------------------------------------- CH2CHO_denom2 = tiny(1.0_WP) + ( CH2CHO_denom1 & - CH3CHO_CH2CHO_coeff * CH3CHO_CH2CHO & - C2H5O_CH2CHO_coeff * C2H5O_CH2CHO & - HCO_CH2CHO_coeff * HCO_CH2CHO & ) CH2CHO_ct2 = ( CH2CHO_ct1 & + CH3CHO_CH2CHO_coeff * CH3CHO_ct2 & + C2H5O_CH2CHO_coeff * C2H5O_ct2 & + HCO_CH2CHO_coeff * HCO_ct2 & ) / CH2CHO_denom2 CH2CHO_C2H5 = ( 0.0_WP & + CH3CHO_CH2CHO_coeff * CH3CHO_C2H5 & + C2H5O_CH2CHO_coeff * C2H5O_C2H5 & + HCO_CH2CHO_coeff * HCO_C2H5 & ) / CH2CHO_denom2 CH2CHO_SXCH2 = ( 0.0_WP & + CH3CHO_CH2CHO_coeff * CH3CHO_SXCH2 & + C2H5O_CH2CHO_coeff * C2H5O_SXCH2 & + HCO_CH2CHO_coeff * HCO_SXCH2 & ) / CH2CHO_denom2 CH2CHO_CH = ( 0.0_WP & + CH3CHO_CH2CHO_coeff * CH3CHO_CH & + C2H5O_CH2CHO_coeff * C2H5O_CH & + HCO_CH2CHO_coeff * HCO_CH & ) / CH2CHO_denom2 CH2CHO_TXCH2 = ( 0.0_WP & + CH3CHO_CH2CHO_coeff * CH3CHO_TXCH2 & + C2H5O_CH2CHO_coeff * C2H5O_TXCH2 & + HCO_CH2CHO_coeff * HCO_TXCH2 & ) / CH2CHO_denom2 CH2CHO_HCCO = ( 0.0_WP & + CH3CHO_CH2CHO_coeff * CH3CHO_HCCO & + C2H5O_CH2CHO_coeff * C2H5O_HCCO & + HCO_CH2CHO_coeff * HCO_HCCO & ) / CH2CHO_denom2 CH2CHO_C2H3 = ( 0.0_WP & + k(rG112f) * c(sO2)+ & k(rG113f) * c(sO) & + CH3CHO_CH2CHO_coeff * CH3CHO_C2H3 & + C2H5O_CH2CHO_coeff * C2H5O_C2H3 & + HCO_CH2CHO_coeff * HCO_C2H3 & ) / CH2CHO_denom2 CH2CHO_C = ( 0.0_WP & + CH3CHO_CH2CHO_coeff * CH3CHO_C & + C2H5O_CH2CHO_coeff * C2H5O_C & + HCO_CH2CHO_coeff * HCO_C & ) / CH2CHO_denom2 CH2CHO_C2H5_coeff = ( 0.0_WP & + CH3CHO_C2H5_coeff * CH3CHO_CH2CHO & + C2H5O_C2H5_coeff * C2H5O_CH2CHO & + HCO_C2H5_coeff * HCO_CH2CHO & ) CH2CHO_SXCH2_coeff = ( 0.0_WP & + CH3CHO_SXCH2_coeff * CH3CHO_CH2CHO & + C2H5O_SXCH2_coeff * C2H5O_CH2CHO & + HCO_SXCH2_coeff * HCO_CH2CHO & ) CH2CHO_CH_coeff = ( 0.0_WP & + CH3CHO_CH_coeff * CH3CHO_CH2CHO & + C2H5O_CH_coeff * C2H5O_CH2CHO & + HCO_CH_coeff * HCO_CH2CHO & ) CH2CHO_TXCH2_coeff = ( 0.0_WP & + CH3CHO_TXCH2_coeff * CH3CHO_CH2CHO & + C2H5O_TXCH2_coeff * C2H5O_CH2CHO & + HCO_TXCH2_coeff * HCO_CH2CHO & ) CH2CHO_HCCO_coeff = ( 0.0_WP & + CH3CHO_HCCO_coeff * CH3CHO_CH2CHO & + C2H5O_HCCO_coeff * C2H5O_CH2CHO & + HCO_HCCO_coeff * HCO_CH2CHO & ) CH2CHO_C2H3_coeff = ( 0.0_WP & + k(rG112b) * c(sO) + & k(rG113b) & + CH3CHO_C2H3_coeff * CH3CHO_CH2CHO & + C2H5O_C2H3_coeff * C2H5O_CH2CHO & + HCO_C2H3_coeff * HCO_CH2CHO & ) CH2CHO_C_coeff = ( 0.0_WP & + CH3CHO_C_coeff * CH3CHO_CH2CHO & + C2H5O_C_coeff * C2H5O_CH2CHO & + HCO_C_coeff * HCO_CH2CHO & ) ! C2H5 --------------------------------------- C2H5_denom2 = tiny(1.0_WP) + ( C2H5_denom1 & - CH3CHO_C2H5_coeff * CH3CHO_C2H5 & - C2H5O_C2H5_coeff * C2H5O_C2H5 & - HCO_C2H5_coeff * HCO_C2H5 & - CH2CHO_C2H5_coeff * CH2CHO_C2H5 & ) C2H5_ct2 = ( C2H5_ct1 & + CH3CHO_C2H5_coeff * CH3CHO_ct2 & + C2H5O_C2H5_coeff * C2H5O_ct2 & + HCO_C2H5_coeff * HCO_ct2 & + CH2CHO_C2H5_coeff * CH2CHO_ct2 & ) / C2H5_denom2 C2H5_SXCH2 = ( 0.0_WP & + k(rG141f) * c(sC2H6) & + CH3CHO_C2H5_coeff * CH3CHO_SXCH2 & + C2H5O_C2H5_coeff * C2H5O_SXCH2 & + HCO_C2H5_coeff * HCO_SXCH2 & + CH2CHO_C2H5_coeff * CH2CHO_SXCH2 & ) / C2H5_denom2 C2H5_CH = ( 0.0_WP & + CH3CHO_C2H5_coeff * CH3CHO_CH & + C2H5O_C2H5_coeff * C2H5O_CH & + HCO_C2H5_coeff * HCO_CH & + CH2CHO_C2H5_coeff * CH2CHO_CH & ) / C2H5_denom2 C2H5_TXCH2 = ( 0.0_WP & + CH3CHO_C2H5_coeff * CH3CHO_TXCH2 & + C2H5O_C2H5_coeff * C2H5O_TXCH2 & + HCO_C2H5_coeff * HCO_TXCH2 & + CH2CHO_C2H5_coeff * CH2CHO_TXCH2 & ) / C2H5_denom2 C2H5_HCCO = ( 0.0_WP & + CH3CHO_C2H5_coeff * CH3CHO_HCCO & + C2H5O_C2H5_coeff * C2H5O_HCCO & + HCO_C2H5_coeff * HCO_HCCO & + CH2CHO_C2H5_coeff * CH2CHO_HCCO & ) / C2H5_denom2 C2H5_C2H3 = ( 0.0_WP & + CH3CHO_C2H5_coeff * CH3CHO_C2H3 & + C2H5O_C2H5_coeff * C2H5O_C2H3 & + HCO_C2H5_coeff * HCO_C2H3 & + CH2CHO_C2H5_coeff * CH2CHO_C2H3 & ) / C2H5_denom2 C2H5_C = ( 0.0_WP & + CH3CHO_C2H5_coeff * CH3CHO_C & + C2H5O_C2H5_coeff * C2H5O_C & + HCO_C2H5_coeff * HCO_C & + CH2CHO_C2H5_coeff * CH2CHO_C & ) / C2H5_denom2 C2H5_SXCH2_coeff = ( 0.0_WP & + k(rG141b) * c(sCH3) & + CH3CHO_SXCH2_coeff * CH3CHO_C2H5 & + C2H5O_SXCH2_coeff * C2H5O_C2H5 & + HCO_SXCH2_coeff * HCO_C2H5 & + CH2CHO_SXCH2_coeff * CH2CHO_C2H5 & ) C2H5_CH_coeff = ( 0.0_WP & + CH3CHO_CH_coeff * CH3CHO_C2H5 & + C2H5O_CH_coeff * C2H5O_C2H5 & + HCO_CH_coeff * HCO_C2H5 & + CH2CHO_CH_coeff * CH2CHO_C2H5 & ) C2H5_TXCH2_coeff = ( 0.0_WP & + CH3CHO_TXCH2_coeff * CH3CHO_C2H5 & + C2H5O_TXCH2_coeff * C2H5O_C2H5 & + HCO_TXCH2_coeff * HCO_C2H5 & + CH2CHO_TXCH2_coeff * CH2CHO_C2H5 & ) C2H5_HCCO_coeff = ( 0.0_WP & + CH3CHO_HCCO_coeff * CH3CHO_C2H5 & + C2H5O_HCCO_coeff * C2H5O_C2H5 & + HCO_HCCO_coeff * HCO_C2H5 & + CH2CHO_HCCO_coeff * CH2CHO_C2H5 & ) C2H5_C2H3_coeff = ( 0.0_WP & + CH3CHO_C2H3_coeff * CH3CHO_C2H5 & + C2H5O_C2H3_coeff * C2H5O_C2H5 & + HCO_C2H3_coeff * HCO_C2H5 & + CH2CHO_C2H3_coeff * CH2CHO_C2H5 & ) C2H5_C_coeff = ( 0.0_WP & + CH3CHO_C_coeff * CH3CHO_C2H5 & + C2H5O_C_coeff * C2H5O_C2H5 & + HCO_C_coeff * HCO_C2H5 & + CH2CHO_C_coeff * CH2CHO_C2H5 & ) ! SXCH2 --------------------------------------- SXCH2_denom2 = tiny(1.0_WP) + ( SXCH2_denom1 & - CH3CHO_SXCH2_coeff * CH3CHO_SXCH2 & - C2H5O_SXCH2_coeff * C2H5O_SXCH2 & - HCO_SXCH2_coeff * HCO_SXCH2 & - CH2CHO_SXCH2_coeff * CH2CHO_SXCH2 & - C2H5_SXCH2_coeff * C2H5_SXCH2 & ) SXCH2_ct2 = ( SXCH2_ct1 & + CH3CHO_SXCH2_coeff * CH3CHO_ct2 & + C2H5O_SXCH2_coeff * C2H5O_ct2 & + HCO_SXCH2_coeff * HCO_ct2 & + CH2CHO_SXCH2_coeff * CH2CHO_ct2 & + C2H5_SXCH2_coeff * C2H5_ct2 & ) / SXCH2_denom2 SXCH2_CH = ( 0.0_WP & + k(rG48b) * c(sH2) & + CH3CHO_SXCH2_coeff * CH3CHO_CH & + C2H5O_SXCH2_coeff * C2H5O_CH & + HCO_SXCH2_coeff * HCO_CH & + CH2CHO_SXCH2_coeff * CH2CHO_CH & + C2H5_SXCH2_coeff * C2H5_CH & ) / SXCH2_denom2 SXCH2_TXCH2 = ( 0.0_WP & + k(rG47b) * c(sH2O) + & k(rG77b) * c(sCO) + & k(rG103b) * c(sCO2) + & k(rG185b) * c(sN2) & + CH3CHO_SXCH2_coeff * CH3CHO_TXCH2 & + C2H5O_SXCH2_coeff * C2H5O_TXCH2 & + HCO_SXCH2_coeff * HCO_TXCH2 & + CH2CHO_SXCH2_coeff * CH2CHO_TXCH2 & + C2H5_SXCH2_coeff * C2H5_TXCH2 & ) / SXCH2_denom2 SXCH2_HCCO = ( 0.0_WP & + k(rG155f) * c(sH) & + CH3CHO_SXCH2_coeff * CH3CHO_HCCO & + C2H5O_SXCH2_coeff * C2H5O_HCCO & + HCO_SXCH2_coeff * HCO_HCCO & + CH2CHO_SXCH2_coeff * CH2CHO_HCCO & + C2H5_SXCH2_coeff * C2H5_HCCO & ) / SXCH2_denom2 SXCH2_C2H3 = ( 0.0_WP & + CH3CHO_SXCH2_coeff * CH3CHO_C2H3 & + C2H5O_SXCH2_coeff * C2H5O_C2H3 & + HCO_SXCH2_coeff * HCO_C2H3 & + CH2CHO_SXCH2_coeff * CH2CHO_C2H3 & + C2H5_SXCH2_coeff * C2H5_C2H3 & ) / SXCH2_denom2 SXCH2_C = ( 0.0_WP & + CH3CHO_SXCH2_coeff * CH3CHO_C & + C2H5O_SXCH2_coeff * C2H5O_C & + HCO_SXCH2_coeff * HCO_C & + CH2CHO_SXCH2_coeff * CH2CHO_C & + C2H5_SXCH2_coeff * C2H5_C & ) / SXCH2_denom2 SXCH2_CH_coeff = ( 0.0_WP & + k(rG48f) * c(sH) & + CH3CHO_CH_coeff * CH3CHO_SXCH2 & + C2H5O_CH_coeff * C2H5O_SXCH2 & + HCO_CH_coeff * HCO_SXCH2 & + CH2CHO_CH_coeff * CH2CHO_SXCH2 & + C2H5_CH_coeff * C2H5_SXCH2 & ) SXCH2_TXCH2_coeff = ( 0.0_WP & + k(rG47f) * c(sH2O)+ & k(rG77f) * c(sCO)+ & k(rG103f) * c(sCO2)+ & k(rG185f) * c(sN2) & + CH3CHO_TXCH2_coeff * CH3CHO_SXCH2 & + C2H5O_TXCH2_coeff * C2H5O_SXCH2 & + HCO_TXCH2_coeff * HCO_SXCH2 & + CH2CHO_TXCH2_coeff * CH2CHO_SXCH2 & + C2H5_TXCH2_coeff * C2H5_SXCH2 & ) SXCH2_HCCO_coeff = ( 0.0_WP & + k(rG155b) * c(sCO) & + CH3CHO_HCCO_coeff * CH3CHO_SXCH2 & + C2H5O_HCCO_coeff * C2H5O_SXCH2 & + HCO_HCCO_coeff * HCO_SXCH2 & + CH2CHO_HCCO_coeff * CH2CHO_SXCH2 & + C2H5_HCCO_coeff * C2H5_SXCH2 & ) SXCH2_C2H3_coeff = ( 0.0_WP & + CH3CHO_C2H3_coeff * CH3CHO_SXCH2 & + C2H5O_C2H3_coeff * C2H5O_SXCH2 & + HCO_C2H3_coeff * HCO_SXCH2 & + CH2CHO_C2H3_coeff * CH2CHO_SXCH2 & + C2H5_C2H3_coeff * C2H5_SXCH2 & ) SXCH2_C_coeff = ( 0.0_WP & + CH3CHO_C_coeff * CH3CHO_SXCH2 & + C2H5O_C_coeff * C2H5O_SXCH2 & + HCO_C_coeff * HCO_SXCH2 & + CH2CHO_C_coeff * CH2CHO_SXCH2 & + C2H5_C_coeff * C2H5_SXCH2 & ) ! CH --------------------------------------- CH_denom2 = tiny(1.0_WP) + ( CH_denom1 & - CH3CHO_CH_coeff * CH3CHO_CH & - C2H5O_CH_coeff * C2H5O_CH & - HCO_CH_coeff * HCO_CH & - CH2CHO_CH_coeff * CH2CHO_CH & - C2H5_CH_coeff * C2H5_CH & - SXCH2_CH_coeff * SXCH2_CH & ) CH_ct2 = ( CH_ct1 & + CH3CHO_CH_coeff * CH3CHO_ct2 & + C2H5O_CH_coeff * C2H5O_ct2 & + HCO_CH_coeff * HCO_ct2 & + CH2CHO_CH_coeff * CH2CHO_ct2 & + C2H5_CH_coeff * C2H5_ct2 & + SXCH2_CH_coeff * SXCH2_ct2 & ) / CH_denom2 CH_TXCH2 = ( 0.0_WP & + k(rG29b) * c(sH) + & k(rG42f) * c(sOH) & + CH3CHO_CH_coeff * CH3CHO_TXCH2 & + C2H5O_CH_coeff * C2H5O_TXCH2 & + HCO_CH_coeff * HCO_TXCH2 & + CH2CHO_CH_coeff * CH2CHO_TXCH2 & + C2H5_CH_coeff * C2H5_TXCH2 & + SXCH2_CH_coeff * SXCH2_TXCH2 & ) / CH_denom2 CH_HCCO = ( 0.0_WP & + k(rG81b) & + CH3CHO_CH_coeff * CH3CHO_HCCO & + C2H5O_CH_coeff * C2H5O_HCCO & + HCO_CH_coeff * HCO_HCCO & + CH2CHO_CH_coeff * CH2CHO_HCCO & + C2H5_CH_coeff * C2H5_HCCO & + SXCH2_CH_coeff * SXCH2_HCCO & ) / CH_denom2 CH_C2H3 = ( 0.0_WP & + k(rG59b) * c(sH) & + CH3CHO_CH_coeff * CH3CHO_C2H3 & + C2H5O_CH_coeff * C2H5O_C2H3 & + HCO_CH_coeff * HCO_C2H3 & + CH2CHO_CH_coeff * CH2CHO_C2H3 & + C2H5_CH_coeff * C2H5_C2H3 & + SXCH2_CH_coeff * SXCH2_C2H3 & ) / CH_denom2 CH_C = ( 0.0_WP & + k(rG32b) * c(sH2) & + CH3CHO_CH_coeff * CH3CHO_C & + C2H5O_CH_coeff * C2H5O_C & + HCO_CH_coeff * HCO_C & + CH2CHO_CH_coeff * CH2CHO_C & + C2H5_CH_coeff * C2H5_C & + SXCH2_CH_coeff * SXCH2_C & ) / CH_denom2 CH_TXCH2_coeff = ( 0.0_WP & + k(rG29f) * c(sH2)+ & k(rG42b) * c(sH2O) & + CH3CHO_TXCH2_coeff * CH3CHO_CH & + C2H5O_TXCH2_coeff * C2H5O_CH & + HCO_TXCH2_coeff * HCO_CH & + CH2CHO_TXCH2_coeff * CH2CHO_CH & + C2H5_TXCH2_coeff * C2H5_CH & + SXCH2_TXCH2_coeff * SXCH2_CH & ) CH_HCCO_coeff = ( 0.0_WP & + k(rG81f) * c(sCO) & + CH3CHO_HCCO_coeff * CH3CHO_CH & + C2H5O_HCCO_coeff * C2H5O_CH & + HCO_HCCO_coeff * HCO_CH & + CH2CHO_HCCO_coeff * CH2CHO_CH & + C2H5_HCCO_coeff * C2H5_CH & + SXCH2_HCCO_coeff * SXCH2_CH & ) CH_C2H3_coeff = ( 0.0_WP & + k(rG59f) * c(sCH3) & + CH3CHO_C2H3_coeff * CH3CHO_CH & + C2H5O_C2H3_coeff * C2H5O_CH & + HCO_C2H3_coeff * HCO_CH & + CH2CHO_C2H3_coeff * CH2CHO_CH & + C2H5_C2H3_coeff * C2H5_CH & + SXCH2_C2H3_coeff * SXCH2_CH & ) CH_C_coeff = ( 0.0_WP & + k(rG32f) * c(sH) & + CH3CHO_C_coeff * CH3CHO_CH & + C2H5O_C_coeff * C2H5O_CH & + HCO_C_coeff * HCO_CH & + CH2CHO_C_coeff * CH2CHO_CH & + C2H5_C_coeff * C2H5_CH & + SXCH2_C_coeff * SXCH2_CH & ) ! TXCH2 --------------------------------------- TXCH2_denom2 = tiny(1.0_WP) + ( TXCH2_denom1 & - CH3CHO_TXCH2_coeff * CH3CHO_TXCH2 & - C2H5O_TXCH2_coeff * C2H5O_TXCH2 & - HCO_TXCH2_coeff * HCO_TXCH2 & - CH2CHO_TXCH2_coeff * CH2CHO_TXCH2 & - C2H5_TXCH2_coeff * C2H5_TXCH2 & - SXCH2_TXCH2_coeff * SXCH2_TXCH2 & - CH_TXCH2_coeff * CH_TXCH2 & ) TXCH2_ct2 = ( TXCH2_ct1 & + CH3CHO_TXCH2_coeff * CH3CHO_ct2 & + C2H5O_TXCH2_coeff * C2H5O_ct2 & + HCO_TXCH2_coeff * HCO_ct2 & + CH2CHO_TXCH2_coeff * CH2CHO_ct2 & + C2H5_TXCH2_coeff * C2H5_ct2 & + SXCH2_TXCH2_coeff * SXCH2_ct2 & + CH_TXCH2_coeff * CH_ct2 & ) / TXCH2_denom2 TXCH2_HCCO = ( 0.0_WP & + k(rR164b) * c(sCH3) & + CH3CHO_TXCH2_coeff * CH3CHO_HCCO & + C2H5O_TXCH2_coeff * C2H5O_HCCO & + HCO_TXCH2_coeff * HCO_HCCO & + CH2CHO_TXCH2_coeff * CH2CHO_HCCO & + C2H5_TXCH2_coeff * C2H5_HCCO & + SXCH2_TXCH2_coeff * SXCH2_HCCO & + CH_TXCH2_coeff * CH_HCCO & ) / TXCH2_denom2 TXCH2_C2H3 = ( 0.0_WP & + CH3CHO_TXCH2_coeff * CH3CHO_C2H3 & + C2H5O_TXCH2_coeff * C2H5O_C2H3 & + HCO_TXCH2_coeff * HCO_C2H3 & + CH2CHO_TXCH2_coeff * CH2CHO_C2H3 & + C2H5_TXCH2_coeff * C2H5_C2H3 & + SXCH2_TXCH2_coeff * SXCH2_C2H3 & + CH_TXCH2_coeff * CH_C2H3 & ) / TXCH2_denom2 TXCH2_C = ( 0.0_WP & + CH3CHO_TXCH2_coeff * CH3CHO_C & + C2H5O_TXCH2_coeff * C2H5O_C & + HCO_TXCH2_coeff * HCO_C & + CH2CHO_TXCH2_coeff * CH2CHO_C & + C2H5_TXCH2_coeff * C2H5_C & + SXCH2_TXCH2_coeff * SXCH2_C & + CH_TXCH2_coeff * CH_C & ) / TXCH2_denom2 TXCH2_HCCO_coeff = ( 0.0_WP & + k(rR164f) * c(sCH2CO) & + CH3CHO_HCCO_coeff * CH3CHO_TXCH2 & + C2H5O_HCCO_coeff * C2H5O_TXCH2 & + HCO_HCCO_coeff * HCO_TXCH2 & + CH2CHO_HCCO_coeff * CH2CHO_TXCH2 & + C2H5_HCCO_coeff * C2H5_TXCH2 & + SXCH2_HCCO_coeff * SXCH2_TXCH2 & + CH_HCCO_coeff * CH_TXCH2 & ) TXCH2_C2H3_coeff = ( 0.0_WP & + CH3CHO_C2H3_coeff * CH3CHO_TXCH2 & + C2H5O_C2H3_coeff * C2H5O_TXCH2 & + HCO_C2H3_coeff * HCO_TXCH2 & + CH2CHO_C2H3_coeff * CH2CHO_TXCH2 & + C2H5_C2H3_coeff * C2H5_TXCH2 & + SXCH2_C2H3_coeff * SXCH2_TXCH2 & + CH_C2H3_coeff * CH_TXCH2 & ) TXCH2_C_coeff = ( 0.0_WP & + CH3CHO_C_coeff * CH3CHO_TXCH2 & + C2H5O_C_coeff * C2H5O_TXCH2 & + HCO_C_coeff * HCO_TXCH2 & + CH2CHO_C_coeff * CH2CHO_TXCH2 & + C2H5_C_coeff * C2H5_TXCH2 & + SXCH2_C_coeff * SXCH2_TXCH2 & + CH_C_coeff * CH_TXCH2 & ) ! HCCO --------------------------------------- HCCO_denom2 = tiny(1.0_WP) + ( HCCO_denom1 & - CH3CHO_HCCO_coeff * CH3CHO_HCCO & - C2H5O_HCCO_coeff * C2H5O_HCCO & - HCO_HCCO_coeff * HCO_HCCO & - CH2CHO_HCCO_coeff * CH2CHO_HCCO & - C2H5_HCCO_coeff * C2H5_HCCO & - SXCH2_HCCO_coeff * SXCH2_HCCO & - CH_HCCO_coeff * CH_HCCO & - TXCH2_HCCO_coeff * TXCH2_HCCO & ) HCCO_ct2 = ( HCCO_ct1 & + CH3CHO_HCCO_coeff * CH3CHO_ct2 & + C2H5O_HCCO_coeff * C2H5O_ct2 & + HCO_HCCO_coeff * HCO_ct2 & + CH2CHO_HCCO_coeff * CH2CHO_ct2 & + C2H5_HCCO_coeff * C2H5_ct2 & + SXCH2_HCCO_coeff * SXCH2_ct2 & + CH_HCCO_coeff * CH_ct2 & + TXCH2_HCCO_coeff * TXCH2_ct2 & ) / HCCO_denom2 HCCO_C2H3 = ( 0.0_WP & + CH3CHO_HCCO_coeff * CH3CHO_C2H3 & + C2H5O_HCCO_coeff * C2H5O_C2H3 & + HCO_HCCO_coeff * HCO_C2H3 & + CH2CHO_HCCO_coeff * CH2CHO_C2H3 & + C2H5_HCCO_coeff * C2H5_C2H3 & + SXCH2_HCCO_coeff * SXCH2_C2H3 & + CH_HCCO_coeff * CH_C2H3 & + TXCH2_HCCO_coeff * TXCH2_C2H3 & ) / HCCO_denom2 HCCO_C = ( 0.0_WP & + CH3CHO_HCCO_coeff * CH3CHO_C & + C2H5O_HCCO_coeff * C2H5O_C & + HCO_HCCO_coeff * HCO_C & + CH2CHO_HCCO_coeff * CH2CHO_C & + C2H5_HCCO_coeff * C2H5_C & + SXCH2_HCCO_coeff * SXCH2_C & + CH_HCCO_coeff * CH_C & + TXCH2_HCCO_coeff * TXCH2_C & ) / HCCO_denom2 HCCO_C2H3_coeff = ( 0.0_WP & + CH3CHO_C2H3_coeff * CH3CHO_HCCO & + C2H5O_C2H3_coeff * C2H5O_HCCO & + HCO_C2H3_coeff * HCO_HCCO & + CH2CHO_C2H3_coeff * CH2CHO_HCCO & + C2H5_C2H3_coeff * C2H5_HCCO & + SXCH2_C2H3_coeff * SXCH2_HCCO & + CH_C2H3_coeff * CH_HCCO & + TXCH2_C2H3_coeff * TXCH2_HCCO & ) HCCO_C_coeff = ( 0.0_WP & + CH3CHO_C_coeff * CH3CHO_HCCO & + C2H5O_C_coeff * C2H5O_HCCO & + HCO_C_coeff * HCO_HCCO & + CH2CHO_C_coeff * CH2CHO_HCCO & + C2H5_C_coeff * C2H5_HCCO & + SXCH2_C_coeff * SXCH2_HCCO & + CH_C_coeff * CH_HCCO & + TXCH2_C_coeff * TXCH2_HCCO & ) ! C2H3 --------------------------------------- C2H3_denom2 = tiny(1.0_WP) + ( C2H3_denom1 & - CH3CHO_C2H3_coeff * CH3CHO_C2H3 & - C2H5O_C2H3_coeff * C2H5O_C2H3 & - HCO_C2H3_coeff * HCO_C2H3 & - CH2CHO_C2H3_coeff * CH2CHO_C2H3 & - C2H5_C2H3_coeff * C2H5_C2H3 & - SXCH2_C2H3_coeff * SXCH2_C2H3 & - CH_C2H3_coeff * CH_C2H3 & - TXCH2_C2H3_coeff * TXCH2_C2H3 & - HCCO_C2H3_coeff * HCCO_C2H3 & ) C2H3_ct2 = ( C2H3_ct1 & + CH3CHO_C2H3_coeff * CH3CHO_ct2 & + C2H5O_C2H3_coeff * C2H5O_ct2 & + HCO_C2H3_coeff * HCO_ct2 & + CH2CHO_C2H3_coeff * CH2CHO_ct2 & + C2H5_C2H3_coeff * C2H5_ct2 & + SXCH2_C2H3_coeff * SXCH2_ct2 & + CH_C2H3_coeff * CH_ct2 & + TXCH2_C2H3_coeff * TXCH2_ct2 & + HCCO_C2H3_coeff * HCCO_ct2 & ) / C2H3_denom2 C2H3_C = ( 0.0_WP & + CH3CHO_C2H3_coeff * CH3CHO_C & + C2H5O_C2H3_coeff * C2H5O_C & + HCO_C2H3_coeff * HCO_C & + CH2CHO_C2H3_coeff * CH2CHO_C & + C2H5_C2H3_coeff * C2H5_C & + SXCH2_C2H3_coeff * SXCH2_C & + CH_C2H3_coeff * CH_C & + TXCH2_C2H3_coeff * TXCH2_C & + HCCO_C2H3_coeff * HCCO_C & ) / C2H3_denom2 C2H3_C_coeff = ( 0.0_WP & + CH3CHO_C_coeff * CH3CHO_C2H3 & + C2H5O_C_coeff * C2H5O_C2H3 & + HCO_C_coeff * HCO_C2H3 & + CH2CHO_C_coeff * CH2CHO_C2H3 & + C2H5_C_coeff * C2H5_C2H3 & + SXCH2_C_coeff * SXCH2_C2H3 & + CH_C_coeff * CH_C2H3 & + TXCH2_C_coeff * TXCH2_C2H3 & + HCCO_C_coeff * HCCO_C2H3 & ) ! C --------------------------------------- C_denom2 = tiny(1.0_WP) + ( C_denom1 & - CH3CHO_C_coeff * CH3CHO_C & - C2H5O_C_coeff * C2H5O_C & - HCO_C_coeff * HCO_C & - CH2CHO_C_coeff * CH2CHO_C & - C2H5_C_coeff * C2H5_C & - SXCH2_C_coeff * SXCH2_C & - CH_C_coeff * CH_C & - TXCH2_C_coeff * TXCH2_C & - HCCO_C_coeff * HCCO_C & - C2H3_C_coeff * C2H3_C & ) C_ct2 = ( C_ct1 & + CH3CHO_C_coeff * CH3CHO_ct2 & + C2H5O_C_coeff * C2H5O_ct2 & + HCO_C_coeff * HCO_ct2 & + CH2CHO_C_coeff * CH2CHO_ct2 & + C2H5_C_coeff * C2H5_ct2 & + SXCH2_C_coeff * SXCH2_ct2 & + CH_C_coeff * CH_ct2 & + TXCH2_C_coeff * TXCH2_ct2 & + HCCO_C_coeff * HCCO_ct2 & + C2H3_C_coeff * C2H3_ct2 & ) / C_denom2 ! Reconstruction ------------------------------------ cqss(sC-nspec) = ( C_ct2 & ) cqss(sC2H3-nspec) = ( C2H3_ct2 & + C2H3_C * cqss(sC-nspec) & ) cqss(sHCCO-nspec) = ( HCCO_ct2 & + HCCO_C2H3 * cqss(sC2H3-nspec) & + HCCO_C * cqss(sC-nspec) & ) cqss(sTXCH2-nspec) = ( TXCH2_ct2 & + TXCH2_HCCO * cqss(sHCCO-nspec) & + TXCH2_C2H3 * cqss(sC2H3-nspec) & + TXCH2_C * cqss(sC-nspec) & ) cqss(sCH-nspec) = ( CH_ct2 & + CH_TXCH2 * cqss(sTXCH2-nspec) & + CH_HCCO * cqss(sHCCO-nspec) & + CH_C2H3 * cqss(sC2H3-nspec) & + CH_C * cqss(sC-nspec) & ) cqss(sSXCH2-nspec) = ( SXCH2_ct2 & + SXCH2_CH * cqss(sCH-nspec) & + SXCH2_TXCH2 * cqss(sTXCH2-nspec) & + SXCH2_HCCO * cqss(sHCCO-nspec) & + SXCH2_C2H3 * cqss(sC2H3-nspec) & + SXCH2_C * cqss(sC-nspec) & ) cqss(sC2H5-nspec) = ( C2H5_ct2 & + C2H5_SXCH2 * cqss(sSXCH2-nspec) & + C2H5_CH * cqss(sCH-nspec) & + C2H5_TXCH2 * cqss(sTXCH2-nspec) & + C2H5_HCCO * cqss(sHCCO-nspec) & + C2H5_C2H3 * cqss(sC2H3-nspec) & + C2H5_C * cqss(sC-nspec) & ) cqss(sCH2CHO-nspec) = ( CH2CHO_ct2 & + CH2CHO_C2H5 * cqss(sC2H5-nspec) & + CH2CHO_SXCH2 * cqss(sSXCH2-nspec) & + CH2CHO_CH * cqss(sCH-nspec) & + CH2CHO_TXCH2 * cqss(sTXCH2-nspec) & + CH2CHO_HCCO * cqss(sHCCO-nspec) & + CH2CHO_C2H3 * cqss(sC2H3-nspec) & + CH2CHO_C * cqss(sC-nspec) & ) cqss(sHCO-nspec) = ( HCO_ct2 & + HCO_CH2CHO * cqss(sCH2CHO-nspec) & + HCO_C2H5 * cqss(sC2H5-nspec) & + HCO_SXCH2 * cqss(sSXCH2-nspec) & + HCO_CH * cqss(sCH-nspec) & + HCO_TXCH2 * cqss(sTXCH2-nspec) & + HCO_HCCO * cqss(sHCCO-nspec) & + HCO_C2H3 * cqss(sC2H3-nspec) & + HCO_C * cqss(sC-nspec) & ) cqss(sC2H5O-nspec) = ( C2H5O_ct2 & + C2H5O_HCO * cqss(sHCO-nspec) & + C2H5O_CH2CHO * cqss(sCH2CHO-nspec) & + C2H5O_C2H5 * cqss(sC2H5-nspec) & + C2H5O_SXCH2 * cqss(sSXCH2-nspec) & + C2H5O_CH * cqss(sCH-nspec) & + C2H5O_TXCH2 * cqss(sTXCH2-nspec) & + C2H5O_HCCO * cqss(sHCCO-nspec) & + C2H5O_C2H3 * cqss(sC2H3-nspec) & + C2H5O_C * cqss(sC-nspec) & ) cqss(sCH3CHO-nspec) = ( CH3CHO_ct2 & + CH3CHO_C2H5O * cqss(sC2H5O-nspec) & + CH3CHO_HCO * cqss(sHCO-nspec) & + CH3CHO_CH2CHO * cqss(sCH2CHO-nspec) & + CH3CHO_C2H5 * cqss(sC2H5-nspec) & + CH3CHO_SXCH2 * cqss(sSXCH2-nspec) & + CH3CHO_CH * cqss(sCH-nspec) & + CH3CHO_TXCH2 * cqss(sTXCH2-nspec) & + CH3CHO_HCCO * cqss(sHCCO-nspec) & + CH3CHO_C2H3 * cqss(sC2H3-nspec) & + CH3CHO_C * cqss(sC-nspec) & ) return end subroutine get_QSS