module mCH42232018TJ implicit none INTEGER, PARAMETER :: pr = selected_real_kind(15,307) REAL(KIND=pr) :: working_precision_variables integer, parameter :: nspec = 22 integer, parameter :: nreac = 320 integer, parameter :: isc_T = 1 integer, parameter :: neq = nspec + 1 ! QSS variables ! Number of QSS species integer, parameter :: nqss = 18 ! QSS species integer, dimension(nspec + nqss) :: iqss real(pr), dimension(nspec + nqss) :: W_sp,Cp_sp,h_sp,dh_sp character(len=15), dimension(nspec + nqss) :: gname character(len=5), dimension(nreac) :: rname ! Post processing variables ! Number of groups integer, parameter :: ng = 41 ! 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 :: sO2 = 5 integer, parameter :: sOH = 6 integer, parameter :: sH2O = 7 integer, parameter :: sH2O2 = 8 integer, parameter :: sHO2 = 9 integer, parameter :: sCO = 10 integer, parameter :: sCH2O = 11 integer, parameter :: sCH3 = 12 integer, parameter :: sCH3OH = 13 integer, parameter :: sC2H2 = 14 integer, parameter :: sCH4 = 15 integer, parameter :: sC2H6 = 16 integer, parameter :: sC2H4 = 17 integer, parameter :: sCO2 = 18 integer, parameter :: sNO = 19 integer, parameter :: sHCN = 20 integer, parameter :: sNO2 = 21 integer, parameter :: sN2O = 22 integer, parameter :: sC = 23 integer, parameter :: sCH = 24 integer, parameter :: sCH2 = 25 integer, parameter :: sHCO = 26 integer, parameter :: s1XCH2 = 27 integer, parameter :: sCH3O = 28 integer, parameter :: sC2H5 = 29 integer, parameter :: sC2H3 = 30 integer, parameter :: sHCCO = 31 integer, parameter :: sN = 32 integer, parameter :: sNH = 33 integer, parameter :: sHNO = 34 integer, parameter :: sNH2 = 35 integer, parameter :: sNCO = 36 integer, parameter :: sHCNO = 37 integer, parameter :: sHNCO = 38 integer, parameter :: sHOCN = 39 integer, parameter :: sNNH = 40 ! Index of reactions integer, parameter :: r1 = 1 integer, parameter :: r2 = 2 integer, parameter :: r3 = 3 integer, parameter :: r4f = 4 integer, parameter :: r5f = 5 integer, parameter :: r6f = 6 integer, parameter :: r7f = 7 integer, parameter :: r8f = 8 integer, parameter :: r9 = 9 integer, parameter :: r10f = 10 integer, parameter :: r11f = 11 integer, parameter :: r12f = 12 integer, parameter :: r13f = 13 integer, parameter :: r14f = 14 integer, parameter :: r15 = 15 integer, parameter :: r16f = 16 integer, parameter :: r17 = 17 integer, parameter :: r18 = 18 integer, parameter :: r19f = 19 integer, parameter :: r20f = 20 integer, parameter :: r21f = 21 integer, parameter :: r22 = 22 integer, parameter :: r23 = 23 integer, parameter :: r24f = 24 integer, parameter :: r25 = 25 integer, parameter :: r26 = 26 integer, parameter :: r27 = 27 integer, parameter :: r28f = 28 integer, parameter :: r29 = 29 integer, parameter :: r30f = 30 integer, parameter :: r31 = 31 integer, parameter :: r32 = 32 integer, parameter :: r33 = 33 integer, parameter :: r36 = 34 integer, parameter :: r37 = 35 integer, parameter :: r38 = 36 integer, parameter :: r39f = 37 integer, parameter :: r40f = 38 integer, parameter :: r41 = 39 integer, parameter :: r42 = 40 integer, parameter :: r43f = 41 integer, parameter :: r44 = 42 integer, parameter :: r45 = 43 integer, parameter :: r46f = 44 integer, parameter :: r47 = 45 integer, parameter :: r48 = 46 integer, parameter :: r49f = 47 integer, parameter :: r50 = 48 integer, parameter :: r51f = 49 integer, parameter :: r52 = 50 integer, parameter :: r53 = 51 integer, parameter :: r54f = 52 integer, parameter :: r55f = 53 integer, parameter :: r56f = 54 integer, parameter :: r57 = 55 integer, parameter :: r58f = 56 integer, parameter :: r59 = 57 integer, parameter :: r60f = 58 integer, parameter :: r61f = 59 integer, parameter :: r62 = 60 integer, parameter :: r63f = 61 integer, parameter :: r64 = 62 integer, parameter :: r65 = 63 integer, parameter :: r66f = 64 integer, parameter :: r67 = 65 integer, parameter :: r68 = 66 integer, parameter :: r69f = 67 integer, parameter :: r70f = 68 integer, parameter :: r71f = 69 integer, parameter :: r72f = 70 integer, parameter :: r73f = 71 integer, parameter :: r74 = 72 integer, parameter :: r75f = 73 integer, parameter :: r76f = 74 integer, parameter :: r77f = 75 integer, parameter :: r78 = 76 integer, parameter :: r79f = 77 integer, parameter :: r80 = 78 integer, parameter :: r81 = 79 integer, parameter :: r82 = 80 integer, parameter :: r83f = 81 integer, parameter :: r84 = 82 integer, parameter :: r85f = 83 integer, parameter :: r86 = 84 integer, parameter :: r87 = 85 integer, parameter :: r88 = 86 integer, parameter :: r89 = 87 integer, parameter :: r90f = 88 integer, parameter :: r91f = 89 integer, parameter :: r92 = 90 integer, parameter :: r93f = 91 integer, parameter :: r94 = 92 integer, parameter :: r95 = 93 integer, parameter :: r96 = 94 integer, parameter :: r97 = 95 integer, parameter :: r98 = 96 integer, parameter :: r99 = 97 integer, parameter :: r100f = 98 integer, parameter :: r101 = 99 integer, parameter :: r102f = 100 integer, parameter :: r103 = 101 integer, parameter :: r104 = 102 integer, parameter :: r105f = 103 integer, parameter :: r106f = 104 integer, parameter :: r107f = 105 integer, parameter :: r108f = 106 integer, parameter :: r109 = 107 integer, parameter :: r110 = 108 integer, parameter :: r111 = 109 integer, parameter :: r112f = 110 integer, parameter :: r113f = 111 integer, parameter :: r114 = 112 integer, parameter :: r115 = 113 integer, parameter :: r116 = 114 integer, parameter :: r117 = 115 integer, parameter :: r118 = 116 integer, parameter :: r119f = 117 integer, parameter :: r120f = 118 integer, parameter :: r121f = 119 integer, parameter :: r122 = 120 integer, parameter :: r123 = 121 integer, parameter :: r124f = 122 integer, parameter :: r125f = 123 integer, parameter :: r126 = 124 integer, parameter :: r127 = 125 integer, parameter :: r128 = 126 integer, parameter :: r129f = 127 integer, parameter :: r130 = 128 integer, parameter :: r131f = 129 integer, parameter :: r132f = 130 integer, parameter :: r133 = 131 integer, parameter :: r134f = 132 integer, parameter :: r135 = 133 integer, parameter :: r138 = 134 integer, parameter :: rnog139f = 135 integer, parameter :: rnog140f = 136 integer, parameter :: rnog141 = 137 integer, parameter :: rnog142f = 138 integer, parameter :: rnog143f = 139 integer, parameter :: rnog144f = 140 integer, parameter :: rnog145f = 141 integer, parameter :: rnog146f = 142 integer, parameter :: rnog147f = 143 integer, parameter :: rnog148 = 144 integer, parameter :: rnog149f = 145 integer, parameter :: rnog150f = 146 integer, parameter :: rnog151f = 147 integer, parameter :: rnog152f = 148 integer, parameter :: rnog153 = 149 integer, parameter :: rnog154 = 150 integer, parameter :: rnog155f = 151 integer, parameter :: rnog156 = 152 integer, parameter :: rnog157f = 153 integer, parameter :: rnog158f = 154 integer, parameter :: rnog159 = 155 integer, parameter :: rnog160 = 156 integer, parameter :: rnog161f = 157 integer, parameter :: rnog162f = 158 integer, parameter :: rnog163f = 159 integer, parameter :: rnog164f = 160 integer, parameter :: rnog165 = 161 integer, parameter :: rnog166 = 162 integer, parameter :: rnog167f = 163 integer, parameter :: rnog168 = 164 integer, parameter :: rnog169 = 165 integer, parameter :: rnog170f = 166 integer, parameter :: rnog171f = 167 integer, parameter :: rnog172f = 168 integer, parameter :: rnog173f = 169 integer, parameter :: rnog174f = 170 integer, parameter :: rnog175f = 171 integer, parameter :: rnog176f = 172 integer, parameter :: rnog177 = 173 integer, parameter :: rnog178f = 174 integer, parameter :: rnog179 = 175 integer, parameter :: rnog180f = 176 integer, parameter :: rnog181 = 177 integer, parameter :: rnog182 = 178 integer, parameter :: rnog183f = 179 integer, parameter :: rnog184 = 180 integer, parameter :: rnog185 = 181 integer, parameter :: rnog186f = 182 integer, parameter :: rnog187 = 183 integer, parameter :: rnog188 = 184 integer, parameter :: rnog189f = 185 integer, parameter :: rnog190 = 186 integer, parameter :: rnog191f = 187 integer, parameter :: rnog192f = 188 integer, parameter :: rnog193f = 189 integer, parameter :: rnog194f = 190 integer, parameter :: rnog195f = 191 integer, parameter :: rnog196 = 192 integer, parameter :: rnog197 = 193 integer, parameter :: rnog198 = 194 integer, parameter :: rnog199 = 195 integer, parameter :: rnog200 = 196 integer, parameter :: r201f = 197 integer, parameter :: r202f = 198 integer, parameter :: rnog203f = 199 integer, parameter :: rnog204f = 200 integer, parameter :: rnog205 = 201 integer, parameter :: rnog206 = 202 integer, parameter :: rnog207f = 203 integer, parameter :: rnog208f = 204 integer, parameter :: rnog209f = 205 integer, parameter :: rnog210f = 206 integer, parameter :: rnog211f = 207 integer, parameter :: rnog212f = 208 integer, parameter :: rnog213 = 209 integer, parameter :: rnog214f = 210 integer, parameter :: r4b = 211 integer, parameter :: r5b = 212 integer, parameter :: r6b = 213 integer, parameter :: r7b = 214 integer, parameter :: r8b = 215 integer, parameter :: r10b = 216 integer, parameter :: r11b = 217 integer, parameter :: r12b = 218 integer, parameter :: r13b = 219 integer, parameter :: r14b = 220 integer, parameter :: r16b = 221 integer, parameter :: r19b = 222 integer, parameter :: r20b = 223 integer, parameter :: r21b = 224 integer, parameter :: r24b = 225 integer, parameter :: r28b = 226 integer, parameter :: r30b = 227 integer, parameter :: r39b = 228 integer, parameter :: r40b = 229 integer, parameter :: r43b = 230 integer, parameter :: r46b = 231 integer, parameter :: r49b = 232 integer, parameter :: r51b = 233 integer, parameter :: r54b = 234 integer, parameter :: r55b = 235 integer, parameter :: r56b = 236 integer, parameter :: r58b = 237 integer, parameter :: r60b = 238 integer, parameter :: r61b = 239 integer, parameter :: r63b = 240 integer, parameter :: r66b = 241 integer, parameter :: r69b = 242 integer, parameter :: r70b = 243 integer, parameter :: r71b = 244 integer, parameter :: r72b = 245 integer, parameter :: r73b = 246 integer, parameter :: r75b = 247 integer, parameter :: r76b = 248 integer, parameter :: r77b = 249 integer, parameter :: r79b = 250 integer, parameter :: r83b = 251 integer, parameter :: r85b = 252 integer, parameter :: r90b = 253 integer, parameter :: r91b = 254 integer, parameter :: r93b = 255 integer, parameter :: r100b = 256 integer, parameter :: r102b = 257 integer, parameter :: r105b = 258 integer, parameter :: r106b = 259 integer, parameter :: r107b = 260 integer, parameter :: r108b = 261 integer, parameter :: r112b = 262 integer, parameter :: r113b = 263 integer, parameter :: r119b = 264 integer, parameter :: r120b = 265 integer, parameter :: r121b = 266 integer, parameter :: r124b = 267 integer, parameter :: r125b = 268 integer, parameter :: r129b = 269 integer, parameter :: r131b = 270 integer, parameter :: r132b = 271 integer, parameter :: r134b = 272 integer, parameter :: rnog139b = 273 integer, parameter :: rnog140b = 274 integer, parameter :: rnog142b = 275 integer, parameter :: rnog143b = 276 integer, parameter :: rnog144b = 277 integer, parameter :: rnog145b = 278 integer, parameter :: rnog146b = 279 integer, parameter :: rnog147b = 280 integer, parameter :: rnog149b = 281 integer, parameter :: rnog150b = 282 integer, parameter :: rnog151b = 283 integer, parameter :: rnog152b = 284 integer, parameter :: rnog155b = 285 integer, parameter :: rnog157b = 286 integer, parameter :: rnog158b = 287 integer, parameter :: rnog161b = 288 integer, parameter :: rnog162b = 289 integer, parameter :: rnog163b = 290 integer, parameter :: rnog164b = 291 integer, parameter :: rnog167b = 292 integer, parameter :: rnog170b = 293 integer, parameter :: rnog171b = 294 integer, parameter :: rnog172b = 295 integer, parameter :: rnog173b = 296 integer, parameter :: rnog174b = 297 integer, parameter :: rnog175b = 298 integer, parameter :: rnog176b = 299 integer, parameter :: rnog178b = 300 integer, parameter :: rnog180b = 301 integer, parameter :: rnog183b = 302 integer, parameter :: rnog186b = 303 integer, parameter :: rnog189b = 304 integer, parameter :: rnog191b = 305 integer, parameter :: rnog192b = 306 integer, parameter :: rnog193b = 307 integer, parameter :: rnog194b = 308 integer, parameter :: rnog195b = 309 integer, parameter :: r201b = 310 integer, parameter :: r202b = 311 integer, parameter :: rnog203b = 312 integer, parameter :: rnog204b = 313 integer, parameter :: rnog207b = 314 integer, parameter :: rnog208b = 315 integer, parameter :: rnog209b = 316 integer, parameter :: rnog210b = 317 integer, parameter :: rnog211b = 318 integer, parameter :: rnog212b = 319 integer, parameter :: rnog214b = 320 ! Index of third bodies integer, parameter :: mM26 = 1 integer, parameter :: mM37 = 2 integer, parameter :: mM5 = 3 integer, parameter :: mM24 = 4 integer, parameter :: mM17 = 5 integer, parameter :: mM4 = 6 integer, parameter :: mM29 = 7 integer, parameter :: mM36 = 8 integer, parameter :: mM31 = 9 integer, parameter :: mM18 = 10 integer, parameter :: mM19 = 11 integer, parameter :: mM8 = 12 integer, parameter :: mM1 = 13 integer, parameter :: mM6 = 14 integer, parameter :: mM38 = 15 integer, parameter :: mM3 = 16 integer, parameter :: mM16 = 17 integer, parameter :: mM22 = 18 integer, parameter :: mM32 = 19 integer, parameter :: mM15 = 20 integer, parameter :: mM11 = 21 integer, parameter :: mM7 = 22 integer, parameter :: mM25 = 23 integer, parameter :: mM30 = 24 integer, parameter :: mM27 = 25 integer, parameter :: mM13 = 26 integer, parameter :: mM20 = 27 integer, parameter :: mM28 = 28 integer, parameter :: mM9 = 29 integer, parameter :: mM21 = 30 contains ! Name of mechanism ! subroutine which_mechanism ! use parallel !implicit none ! if (irank.eq.iroot) print*, 'Using mechanism monmech.mech' ! return ! end subroutine which_mechanism ! Subroutine to define groups for post-processing subroutine pp_data implicit none ! Number of species in each group ppn(1) = 1 ppn(2) = 1 ppn(3) = 1 ppn(4) = 1 ppn(5) = 1 ppn(6) = 1 ppn(7) = 1 ppn(8) = 1 ppn(9) = 1 ppn(10) = 1 ppn(11) = 1 ppn(12) = 1 ppn(13) = 1 ppn(14) = 1 ppn(15) = 1 ppn(16) = 1 ppn(17) = 1 ppn(18) = 1 ppn(19) = 1 ppn(20) = 1 ppn(21) = 1 ppn(22) = 1 ppn(23) = 1 ppn(24) = 1 ppn(25) = 1 ppn(26) = 1 ppn(27) = 1 ppn(28) = 1 ppn(29) = 1 ppn(30) = 1 ppn(31) = 1 ppn(32) = 1 ppn(33) = 1 ppn(34) = 1 ppn(35) = 1 ppn(36) = 1 ppn(37) = 1 ppn(38) = 1 ppn(39) = 1 ppn(40) = 1 ppn(41) = 1 ! Indices of species in each group pp(1,1) = 1 pp(2,1) = 2 pp(3,1) = 3 pp(4,1) = 4 pp(5,1) = 5 pp(6,1) = 6 pp(7,1) = 7 pp(8,1) = 8 pp(9,1) = 9 pp(10,1) = 10 pp(11,1) = 11 pp(12,1) = 12 pp(13,1) = 13 pp(14,1) = 14 pp(15,1) = 15 pp(16,1) = 16 pp(17,1) = 17 pp(18,1) = 18 pp(19,1) = 19 pp(20,1) = 20 pp(21,1) = 21 pp(22,1) = 22 pp(23,1) = 23 pp(24,1) = 24 pp(25,1) = 25 pp(26,1) = 26 pp(27,1) = 27 pp(28,1) = 28 pp(29,1) = 29 pp(30,1) = 30 pp(31,1) = 31 pp(32,1) = 32 pp(33,1) = 33 pp(34,1) = 34 pp(35,1) = 35 pp(36,1) = 36 pp(37,1) = 37 pp(38,1) = 38 pp(39,1) = 39 pp(40,1) = 40 pp(41,1) = 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(sO2)) ppname(6) = trim(gname(sOH)) ppname(7) = trim(gname(sH2O)) ppname(8) = trim(gname(sH2O2)) ppname(9) = trim(gname(sHO2)) ppname(10) = trim(gname(sC)) ppname(11) = trim(gname(sCO)) ppname(12) = trim(gname(sCH)) ppname(13) = trim(gname(sCH2)) ppname(14) = trim(gname(sHCO)) ppname(15) = trim(gname(sCH2O)) ppname(16) = trim(gname(sCH3)) ppname(17) = trim(gname(s1XCH2)) ppname(18) = trim(gname(sCH3OH)) ppname(19) = trim(gname(sCH3O)) ppname(20) = trim(gname(sC2H2)) ppname(21) = trim(gname(sC2H5)) ppname(22) = trim(gname(sCH4)) ppname(23) = trim(gname(sC2H3)) ppname(24) = trim(gname(sC2H6)) ppname(25) = trim(gname(sC2H4)) ppname(26) = trim(gname(sCO2)) ppname(27) = trim(gname(sHCCO)) ppname(28) = trim(gname(sN)) ppname(29) = trim(gname(sNO)) ppname(30) = trim(gname(sHCN)) ppname(31) = trim(gname(sNH)) ppname(32) = trim(gname(sHNO)) ppname(33) = trim(gname(sNH2)) ppname(34) = trim(gname(sNCO)) ppname(35) = trim(gname(sHCNO)) ppname(36) = trim(gname(sNO2)) ppname(37) = trim(gname(sN2O)) ppname(38) = trim(gname(sHNCO)) ppname(39) = trim(gname(sHOCN)) ppname(40) = trim(gname(sNNH)) ppname(41) = 'N2X' end subroutine pp_data ! Molar mass subroutine molar_mass implicit none W_sp(sN2) = 0.02801348_pr W_sp(sH) = 0.00100794_pr W_sp(sH2) = 0.00201588_pr W_sp(sO) = 0.0159994_pr W_sp(sO2) = 0.0319988_pr W_sp(sOH) = 0.01700734_pr W_sp(sH2O) = 0.01801528_pr W_sp(sH2O2) = 0.03401468_pr W_sp(sHO2) = 0.03300674_pr W_sp(sC) = 0.012011_pr W_sp(sCO) = 0.0280104_pr W_sp(sCH) = 0.01301894_pr W_sp(sCH2) = 0.01402688_pr W_sp(sHCO) = 0.02901834_pr W_sp(sCH2O) = 0.03002628_pr W_sp(sCH3) = 0.01503482_pr W_sp(s1XCH2) = 0.01402688_pr W_sp(sCH3OH) = 0.03204216_pr W_sp(sCH3O) = 0.03103422_pr W_sp(sC2H2) = 0.02603788_pr W_sp(sC2H5) = 0.0290617_pr W_sp(sCH4) = 0.01604276_pr W_sp(sC2H3) = 0.02704582_pr W_sp(sC2H6) = 0.03006964_pr W_sp(sC2H4) = 0.02805376_pr W_sp(sCO2) = 0.0440098_pr W_sp(sHCCO) = 0.04102934_pr W_sp(sN) = 0.01400674_pr W_sp(sNO) = 0.03000614_pr W_sp(sHCN) = 0.02702568_pr W_sp(sNH) = 0.01501468_pr W_sp(sHNO) = 0.03101408_pr W_sp(sNH2) = 0.01602262_pr W_sp(sNCO) = 0.04201714_pr W_sp(sHCNO) = 0.04302508_pr W_sp(sNO2) = 0.04600554_pr W_sp(sN2O) = 0.04401288_pr W_sp(sHNCO) = 0.04302508_pr W_sp(sHOCN) = 0.04302508_pr W_sp(sNNH) = 0.02902142_pr end subroutine molar_mass ! Species names subroutine species_name implicit none gname(sN2) = 'N2' gname(sH) = 'H' gname(sH2) = 'H2' gname(sO) = 'O' gname(sO2) = 'O2' gname(sOH) = 'OH' gname(sH2O) = 'H2O' gname(sH2O2) = 'H2O2' gname(sHO2) = 'HO2' gname(sC) = 'C' gname(sCO) = 'CO' gname(sCH) = 'CH' gname(sCH2) = 'CH2' gname(sHCO) = 'HCO' gname(sCH2O) = 'CH2O' gname(sCH3) = 'CH3' gname(s1XCH2) = '1-CH2' gname(sCH3OH) = 'CH3OH' gname(sCH3O) = 'CH3O' gname(sC2H2) = 'C2H2' gname(sC2H5) = 'C2H5' gname(sCH4) = 'CH4' gname(sC2H3) = 'C2H3' gname(sC2H6) = 'C2H6' gname(sC2H4) = 'C2H4' gname(sCO2) = 'CO2' gname(sHCCO) = 'HCCO' gname(sN) = 'N' gname(sNO) = 'NO' gname(sHCN) = 'HCN' gname(sNH) = 'NH' gname(sHNO) = 'HNO' gname(sNH2) = 'NH2' gname(sNCO) = 'NCO' gname(sHCNO) = 'HCNO' gname(sNO2) = 'NO2' gname(sN2O) = 'N2O' gname(sHNCO) = 'HNCO' gname(sHOCN) = 'HOCN' gname(sNNH) = 'NNH' end subroutine species_name ! Reaction names subroutine reaction_name implicit none rname(r1) = '1' rname(r2) = '2' rname(r3) = '3' rname(r4f) = '4f' rname(r5f) = '5f' rname(r6f) = '6f' rname(r7f) = '7f' rname(r8f) = '8f' rname(r9) = '9' rname(r10f) = '10f' rname(r11f) = '11f' rname(r12f) = '12f' rname(r13f) = '13f' rname(r14f) = '14f' rname(r15) = '15' rname(r16f) = '16f' rname(r17) = '17' rname(r18) = '18' rname(r19f) = '19f' rname(r20f) = '20f' rname(r21f) = '21f' rname(r22) = '22' rname(r23) = '23' rname(r24f) = '24f' rname(r25) = '25' rname(r26) = '26' rname(r27) = '27' rname(r28f) = '28f' rname(r29) = '29' rname(r30f) = '30f' rname(r31) = '31' rname(r32) = '32' rname(r33) = '33' rname(r36) = '36' rname(r37) = '37' rname(r38) = '38' rname(r39f) = '39f' rname(r40f) = '40f' rname(r41) = '41' rname(r42) = '42' rname(r43f) = '43f' rname(r44) = '44' rname(r45) = '45' rname(r46f) = '46f' rname(r47) = '47' rname(r48) = '48' rname(r49f) = '49f' rname(r50) = '50' rname(r51f) = '51f' rname(r52) = '52' rname(r53) = '53' rname(r54f) = '54f' rname(r55f) = '55f' rname(r56f) = '56f' rname(r57) = '57' rname(r58f) = '58f' rname(r59) = '59' rname(r60f) = '60f' rname(r61f) = '61f' rname(r62) = '62' rname(r63f) = '63f' rname(r64) = '64' rname(r65) = '65' rname(r66f) = '66f' rname(r67) = '67' rname(r68) = '68' rname(r69f) = '69f' rname(r70f) = '70f' rname(r71f) = '71f' rname(r72f) = '72f' rname(r73f) = '73f' rname(r74) = '74' rname(r75f) = '75f' rname(r76f) = '76f' rname(r77f) = '77f' rname(r78) = '78' rname(r79f) = '79f' rname(r80) = '80' rname(r81) = '81' rname(r82) = '82' rname(r83f) = '83f' rname(r84) = '84' rname(r85f) = '85f' rname(r86) = '86' rname(r87) = '87' rname(r88) = '88' rname(r89) = '89' rname(r90f) = '90f' rname(r91f) = '91f' rname(r92) = '92' rname(r93f) = '93f' rname(r94) = '94' rname(r95) = '95' rname(r96) = '96' rname(r97) = '97' rname(r98) = '98' rname(r99) = '99' rname(r100f) = '100f' rname(r101) = '101' rname(r102f) = '102f' rname(r103) = '103' rname(r104) = '104' rname(r105f) = '105f' rname(r106f) = '106f' rname(r107f) = '107f' rname(r108f) = '108f' rname(r109) = '109' rname(r110) = '110' rname(r111) = '111' rname(r112f) = '112f' rname(r113f) = '113f' rname(r114) = '114' rname(r115) = '115' rname(r116) = '116' rname(r117) = '117' rname(r118) = '118' rname(r119f) = '119f' rname(r120f) = '120f' rname(r121f) = '121f' rname(r122) = '122' rname(r123) = '123' rname(r124f) = '124f' rname(r125f) = '125f' rname(r126) = '126' rname(r127) = '127' rname(r128) = '128' rname(r129f) = '129f' rname(r130) = '130' rname(r131f) = '131f' rname(r132f) = '132f' rname(r133) = '133' rname(r134f) = '134f' rname(r135) = '135' rname(r138) = '138' rname(rnog139f) = 'nog139f' rname(rnog140f) = 'nog140f' rname(rnog141) = 'nog141' rname(rnog142f) = 'nog142f' rname(rnog143f) = 'nog143f' rname(rnog144f) = 'nog144f' rname(rnog145f) = 'nog145f' rname(rnog146f) = 'nog146f' rname(rnog147f) = 'nog147f' rname(rnog148) = 'nog148' rname(rnog149f) = 'nog149f' rname(rnog150f) = 'nog150f' rname(rnog151f) = 'nog151f' rname(rnog152f) = 'nog152f' rname(rnog153) = 'nog153' rname(rnog154) = 'nog154' rname(rnog155f) = 'nog155f' rname(rnog156) = 'nog156' rname(rnog157f) = 'nog157f' rname(rnog158f) = 'nog158f' rname(rnog159) = 'nog159' rname(rnog160) = 'nog160' rname(rnog161f) = 'nog161f' rname(rnog162f) = 'nog162f' rname(rnog163f) = 'nog163f' rname(rnog164f) = 'nog164f' rname(rnog165) = 'nog165' rname(rnog166) = 'nog166' rname(rnog167f) = 'nog167f' rname(rnog168) = 'nog168' rname(rnog169) = 'nog169' rname(rnog170f) = 'nog170f' rname(rnog171f) = 'nog171f' rname(rnog172f) = 'nog172f' rname(rnog173f) = 'nog173f' rname(rnog174f) = 'nog174f' rname(rnog175f) = 'nog175f' rname(rnog176f) = 'nog176f' rname(rnog177) = 'nog177' rname(rnog178f) = 'nog178f' rname(rnog179) = 'nog179' rname(rnog180f) = 'nog180f' rname(rnog181) = 'nog181' rname(rnog182) = 'nog182' rname(rnog183f) = 'nog183f' rname(rnog184) = 'nog184' rname(rnog185) = 'nog185' rname(rnog186f) = 'nog186f' rname(rnog187) = 'nog187' rname(rnog188) = 'nog188' rname(rnog189f) = 'nog189f' rname(rnog190) = 'nog190' rname(rnog191f) = 'nog191f' rname(rnog192f) = 'nog192f' rname(rnog193f) = 'nog193f' rname(rnog194f) = 'nog194f' rname(rnog195f) = 'nog195f' rname(rnog196) = 'nog196' rname(rnog197) = 'nog197' rname(rnog198) = 'nog198' rname(rnog199) = 'nog199' rname(rnog200) = 'nog200' rname(r201f) = '201f' rname(r202f) = '202f' rname(rnog203f) = 'nog203f' rname(rnog204f) = 'nog204f' rname(rnog205) = 'nog205' rname(rnog206) = 'nog206' rname(rnog207f) = 'nog207f' rname(rnog208f) = 'nog208f' rname(rnog209f) = 'nog209f' rname(rnog210f) = 'nog210f' rname(rnog211f) = 'nog211f' rname(rnog212f) = 'nog212f' rname(rnog213) = 'nog213' rname(rnog214f) = 'nog214f' rname(r4b) = '4b' rname(r5b) = '5b' rname(r6b) = '6b' rname(r7b) = '7b' rname(r8b) = '8b' rname(r10b) = '10b' rname(r11b) = '11b' rname(r12b) = '12b' rname(r13b) = '13b' rname(r14b) = '14b' rname(r16b) = '16b' rname(r19b) = '19b' rname(r20b) = '20b' rname(r21b) = '21b' rname(r24b) = '24b' rname(r28b) = '28b' rname(r30b) = '30b' rname(r39b) = '39b' rname(r40b) = '40b' rname(r43b) = '43b' rname(r46b) = '46b' rname(r49b) = '49b' rname(r51b) = '51b' rname(r54b) = '54b' rname(r55b) = '55b' rname(r56b) = '56b' rname(r58b) = '58b' rname(r60b) = '60b' rname(r61b) = '61b' rname(r63b) = '63b' rname(r66b) = '66b' rname(r69b) = '69b' rname(r70b) = '70b' rname(r71b) = '71b' rname(r72b) = '72b' rname(r73b) = '73b' rname(r75b) = '75b' rname(r76b) = '76b' rname(r77b) = '77b' rname(r79b) = '79b' rname(r83b) = '83b' rname(r85b) = '85b' rname(r90b) = '90b' rname(r91b) = '91b' rname(r93b) = '93b' rname(r100b) = '100b' rname(r102b) = '102b' rname(r105b) = '105b' rname(r106b) = '106b' rname(r107b) = '107b' rname(r108b) = '108b' rname(r112b) = '112b' rname(r113b) = '113b' rname(r119b) = '119b' rname(r120b) = '120b' rname(r121b) = '121b' rname(r124b) = '124b' rname(r125b) = '125b' rname(r129b) = '129b' rname(r131b) = '131b' rname(r132b) = '132b' rname(r134b) = '134b' rname(rnog139b) = 'nog139b' rname(rnog140b) = 'nog140b' rname(rnog142b) = 'nog142b' rname(rnog143b) = 'nog143b' rname(rnog144b) = 'nog144b' rname(rnog145b) = 'nog145b' rname(rnog146b) = 'nog146b' rname(rnog147b) = 'nog147b' rname(rnog149b) = 'nog149b' rname(rnog150b) = 'nog150b' rname(rnog151b) = 'nog151b' rname(rnog152b) = 'nog152b' rname(rnog155b) = 'nog155b' rname(rnog157b) = 'nog157b' rname(rnog158b) = 'nog158b' rname(rnog161b) = 'nog161b' rname(rnog162b) = 'nog162b' rname(rnog163b) = 'nog163b' rname(rnog164b) = 'nog164b' rname(rnog167b) = 'nog167b' rname(rnog170b) = 'nog170b' rname(rnog171b) = 'nog171b' rname(rnog172b) = 'nog172b' rname(rnog173b) = 'nog173b' rname(rnog174b) = 'nog174b' rname(rnog175b) = 'nog175b' rname(rnog176b) = 'nog176b' rname(rnog178b) = 'nog178b' rname(rnog180b) = 'nog180b' rname(rnog183b) = 'nog183b' rname(rnog186b) = 'nog186b' rname(rnog189b) = 'nog189b' rname(rnog191b) = 'nog191b' rname(rnog192b) = 'nog192b' rname(rnog193b) = 'nog193b' rname(rnog194b) = 'nog194b' rname(rnog195b) = 'nog195b' rname(r201b) = '201b' rname(r202b) = '202b' rname(rnog203b) = 'nog203b' rname(rnog204b) = 'nog204b' rname(rnog207b) = 'nog207b' rname(rnog208b) = 'nog208b' rname(rnog209b) = 'nog209b' rname(rnog210b) = 'nog210b' rname(rnog211b) = 'nog211b' rname(rnog212b) = 'nog212b' rname(rnog214b) = 'nog214b' 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(sO2) = 0 iqss(sOH) = 0 iqss(sH2O) = 0 iqss(sH2O2) = 0 iqss(sHO2) = 0 iqss(sC) = 1 iqss(sCO) = 0 iqss(sCH) = 1 iqss(sCH2) = 1 iqss(sHCO) = 1 iqss(sCH2O) = 0 iqss(sCH3) = 0 iqss(s1XCH2) = 1 iqss(sCH3OH) = 0 iqss(sCH3O) = 1 iqss(sC2H2) = 0 iqss(sC2H5) = 1 iqss(sCH4) = 0 iqss(sC2H3) = 1 iqss(sC2H6) = 0 iqss(sC2H4) = 0 iqss(sCO2) = 0 iqss(sHCCO) = 1 iqss(sN) = 1 iqss(sNO) = 0 iqss(sHCN) = 0 iqss(sNH) = 1 iqss(sHNO) = 1 iqss(sNH2) = 1 iqss(sNCO) = 1 iqss(sHCNO) = 1 iqss(sNO2) = 0 iqss(sN2O) = 0 iqss(sHNCO) = 1 iqss(sHOCN) = 1 iqss(sNNH) = 1 end subroutine QSS_list ! Subroutine for pressure dependent coefficients real(pr) function getlindratecoeff (Tloc,k0,kinf,fc,concin,Ploc) implicit none real(pr) :: Tloc,k0,kinf,fc,Ploc real(pr), parameter :: R = 8.31434_pr real(pr) :: ntmp,ccoeff,dcoeff,lgknull real(pr) :: f real(pr) :: conc, concin if (concin.gt.0.0_pr) then conc = concin else conc = Ploc / ( R * Tloc ) end if ntmp = 0.75_pr - 1.27_pr * dlog10( fc ) ccoeff = - 0.4_pr - 0.67_pr * dlog10( fc ) dcoeff = 0.14_pr k0 = k0 * conc / max(kinf, 1.0e-60_pr) lgknull = dlog10(k0) f = (lgknull+ccoeff)/(ntmp-dcoeff*(lgknull+ccoeff)) f = fc**(1.0_pr / ( f * f + 1.0_pr )) getlindratecoeff = kinf * f * k0 / ( 1.0_pr + k0 ) end function getlindratecoeff subroutine YtoC(c,P,T,Y) implicit none real(pr), dimension(nspec) :: c,Y real(pr) :: bla, P, T integer :: K call molar_mass c(sN2) = Y(sN2) / W_sp(sN2) c(sH) = Y(sH) / W_sp(sH) c(sH2) = Y(sH2) / W_sp(sH2) c(sO) = Y(sO) / W_sp(sO) c(sO2) = Y(sO2) / W_sp(sO2) c(sOH) = Y(sOH) / W_sp(sOH) c(sH2O) = Y(sH2O) / W_sp(sH2O) c(sH2O2) = Y(sH2O2) / W_sp(sH2O2) 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(sCH2) = Y(sCH2) / W_sp(sCH2) !c(sHCO) = Y(sHCO) / W_sp(sHCO) c(sCH2O) = Y(sCH2O) / W_sp(sCH2O) c(sCH3) = Y(sCH3) / W_sp(sCH3) !c(s1XCH2) = Y(s1XCH2) / W_sp(s1XCH2) c(sCH3OH) = Y(sCH3OH) / W_sp(sCH3OH) !c(sCH3O) = Y(sCH3O) / W_sp(sCH3O) c(sC2H2) = Y(sC2H2) / W_sp(sC2H2) !c(sC2H5) = Y(sC2H5) / W_sp(sC2H5) c(sCH4) = Y(sCH4) / W_sp(sCH4) !c(sC2H3) = Y(sC2H3) / W_sp(sC2H3) c(sC2H6) = Y(sC2H6) / W_sp(sC2H6) c(sC2H4) = Y(sC2H4) / W_sp(sC2H4) c(sCO2) = Y(sCO2) / W_sp(sCO2) !c(sHCCO) = Y(sHCCO) / W_sp(sHCCO) !c(sN) = Y(sN) / W_sp(sN) c(sNO) = Y(sNO) / W_sp(sNO) c(sHCN) = Y(sHCN) / W_sp(sHCN) !c(sNH) = Y(sNH) / W_sp(sNH) !c(sHNO) = Y(sHNO) / W_sp(sHNO) !c(sNH2) = Y(sNH2) / W_sp(sNH2) !c(sNCO) = Y(sNCO) / W_sp(sNCO) !c(sHCNO) = Y(sHCNO) / W_sp(sHCNO) c(sNO2) = Y(sNO2) / W_sp(sNO2) c(sN2O) = Y(sN2O) / W_sp(sN2O) !c(sHNCO) = Y(sHNCO) / W_sp(sHNCO) !c(sHOCN) = Y(sHOCN) / W_sp(sHOCN) !c(sNNH) = Y(sNNH) / W_sp(sNNH) bla = 0.0_pr DO K = 1, nspec bla = bla + c(K) ENDDO bla = P/(bla*T*8.31451_pr) DO K = 1, nspec c(K) = max(c(K),1.0e-60_pr) * bla ENDDO end subroutine YtoC ! Subroutine for Cp and H computations subroutine compute_thermodata(H,Cp,dH,T) implicit none real(pr), dimension(nspec + nqss) :: H,Cp,dH real(pr) :: T if (T.gt.1000_pr) then H(sN2) = 296.802185947622 * ( T * ((2.92664000e+00_pr) & + T *((0.0007439884_pr) & + T *((-1.89492e-07_pr) & + T *((2.5242595e-11_pr) & + T *((-1.3506702e-15_pr)))))) + (-9.22797700e+02_pr)) Cp(sN2) = 296.802185947622 * ((2.92664000e+00_pr) & + T *((1.48797680e-03_pr) & + T *((-5.68476000e-07_pr) & + T *((1.00970380e-10_pr) & + T *(-6.75335100e-15_pr))))) dH(sN2) = 296.802185947622 * ( (2.92664000e+00_pr) & + T *((1.48797680e-03_pr) & + T *((-5.68476000e-07_pr) & + T *((1.00970380e-10_pr) & + T *((-6.75335100e-15_pr))))) ) H(sH) = 8248.96531539576 * ( T * ((2.50000001e+00_pr) & + T *((-1.154214865e-11_pr) & + T *((5.38539826666667e-15_pr) & + T *((-1.1837880875e-18_pr) & + T *((9.96394714e-23_pr)))))) + (2.54736599e+04_pr)) Cp(sH) = 8248.96531539576 * ((2.50000001e+00_pr) & + T *((-2.30842973e-11_pr) & + T *((1.61561948e-14_pr) & + T *((-4.73515235e-18_pr) & + T *(4.98197357e-22_pr))))) dH(sH) = 8248.96531539576 * ( (2.50000001e+00_pr) & + T *((-2.30842973e-11_pr) & + T *((1.61561948e-14_pr) & + T *((-4.73515235e-18_pr) & + T *((4.98197357e-22_pr))))) ) H(sH2) = 4124.48265769788 * ( T * ((3.33727920e+00_pr) & + T *((-2.470123655e-05_pr) & + T *((1.66485592666667e-07_pr) & + T *((-4.48915985e-11_pr) & + T *((4.00510752e-15_pr)))))) + (-9.50158922e+02_pr)) Cp(sH2) = 4124.48265769788 * ((3.33727920e+00_pr) & + T *((-4.94024731e-05_pr) & + T *((4.99456778e-07_pr) & + T *((-1.79566394e-10_pr) & + T *(2.00255376e-14_pr))))) dH(sH2) = 4124.48265769788 * ( (3.33727920e+00_pr) & + T *((-4.94024731e-05_pr) & + T *((4.99456778e-07_pr) & + T *((-1.79566394e-10_pr) & + T *((2.00255376e-14_pr))))) ) H(sO) = 519.673369001338 * ( T * ((2.56942078e+00_pr) & + T *((-4.298705685e-05_pr) & + T *((1.39828196333333e-08_pr) & + T *((-2.504444975e-12_pr) & + T *((2.45667382e-16_pr)))))) + (2.92175791e+04_pr)) Cp(sO) = 519.673369001338 * ((2.56942078e+00_pr) & + T *((-8.59741137e-05_pr) & + T *((4.19484589e-08_pr) & + T *((-1.00177799e-11_pr) & + T *(1.22833691e-15_pr))))) dH(sO) = 519.673369001338 * ( (2.56942078e+00_pr) & + T *((-8.59741137e-05_pr) & + T *((4.19484589e-08_pr) & + T *((-1.00177799e-11_pr) & + T *((1.22833691e-15_pr))))) ) H(sO2) = 259.836684500669 * ( T * ((3.28253784e+00_pr) & + T *((0.00074154377_pr) & + T *((-2.52655556333333e-07_pr) & + T *((5.236763875e-11_pr) & + T *((-4.33435588e-15_pr)))))) + (-1.08845772e+03_pr)) Cp(sO2) = 259.836684500669 * ((3.28253784e+00_pr) & + T *((1.48308754e-03_pr) & + T *((-7.57966669e-07_pr) & + T *((2.09470555e-10_pr) & + T *(-2.16717794e-14_pr))))) dH(sO2) = 259.836684500669 * ( (3.28253784e+00_pr) & + T *((1.48308754e-03_pr) & + T *((-7.57966669e-07_pr) & + T *((2.09470555e-10_pr) & + T *((-2.16717794e-14_pr))))) ) H(sOH) = 488.874926943308 * ( T * ((3.09288767e+00_pr) & + T *((0.000274214858_pr) & + T *((4.21684093333333e-08_pr) & + T *((-2.19865389e-11_pr) & + T *((2.34824752e-15_pr)))))) + (3.85865700e+03_pr)) Cp(sOH) = 488.874926943308 * ((3.09288767e+00_pr) & + T *((5.48429716e-04_pr) & + T *((1.26505228e-07_pr) & + T *((-8.79461556e-11_pr) & + T *(1.17412376e-14_pr))))) dH(sOH) = 488.874926943308 * ( (3.09288767e+00_pr) & + T *((5.48429716e-04_pr) & + T *((1.26505228e-07_pr) & + T *((-8.79461556e-11_pr) & + T *((1.17412376e-14_pr))))) ) H(sH2O) = 461.522779551581 * ( T * ((3.03399249e+00_pr) & + T *((0.00108845902_pr) & + T *((-5.46908393333333e-08_pr) & + T *((-2.426049675e-11_pr) & + T *((3.36401984e-15_pr)))))) + (-3.00042971e+04_pr)) Cp(sH2O) = 461.522779551581 * ((3.03399249e+00_pr) & + T *((2.17691804e-03_pr) & + T *((-1.64072518e-07_pr) & + T *((-9.70419870e-11_pr) & + T *(1.68200992e-14_pr))))) dH(sH2O) = 461.522779551581 * ( (3.03399249e+00_pr) & + T *((2.17691804e-03_pr) & + T *((-1.64072518e-07_pr) & + T *((-9.70419870e-11_pr) & + T *((1.68200992e-14_pr))))) ) H(sH2O2) = 244.437463471654 * ( T * ((4.16500285e+00_pr) & + T *((0.00245415847_pr) & + T *((-6.33797416666667e-07_pr) & + T *((9.27964965e-11_pr) & + T *((-5.7581661e-15_pr)))))) + (-1.78617877e+04_pr)) Cp(sH2O2) = 244.437463471654 * ((4.16500285e+00_pr) & + T *((4.90831694e-03_pr) & + T *((-1.90139225e-06_pr) & + T *((3.71185986e-10_pr) & + T *(-2.87908305e-14_pr))))) dH(sH2O2) = 244.437463471654 * ( (4.16500285e+00_pr) & + T *((4.90831694e-03_pr) & + T *((-1.90139225e-06_pr) & + T *((3.71185986e-10_pr) & + T *((-2.87908305e-14_pr))))) ) H(sHO2) = 251.901947905185 * ( T * ((4.01721090e+00_pr) & + T *((0.001119910065_pr) & + T *((-2.11219383333333e-07_pr) & + T *((2.85615925e-11_pr) & + T *((-2.1581707e-15_pr)))))) + (1.11856713e+02_pr)) Cp(sHO2) = 251.901947905185 * ((4.01721090e+00_pr) & + T *((2.23982013e-03_pr) & + T *((-6.33658150e-07_pr) & + T *((1.14246370e-10_pr) & + T *(-1.07908535e-14_pr))))) dH(sHO2) = 251.901947905185 * ( (4.01721090e+00_pr) & + T *((2.23982013e-03_pr) & + T *((-6.33658150e-07_pr) & + T *((1.14246370e-10_pr) & + T *((-1.07908535e-14_pr))))) ) H(sC) = 692.237290816751 * ( T * ((2.49266888e+00_pr) & + T *((2.39944642e-05_pr) & + T *((-2.41445006666667e-08_pr) & + T *((9.357275725e-12_pr) & + T *((-9.74555786e-16_pr)))))) + (8.54512953e+04_pr)) Cp(sC) = 692.237290816751 * ((2.49266888e+00_pr) & + T *((4.79889284e-05_pr) & + T *((-7.24335020e-08_pr) & + T *((3.74291029e-11_pr) & + T *(-4.87277893e-15_pr))))) dH(sC) = 692.237290816751 * ( (2.49266888e+00_pr) & + T *((4.79889284e-05_pr) & + T *((-7.24335020e-08_pr) & + T *((3.74291029e-11_pr) & + T *((-4.87277893e-15_pr))))) ) H(sCO) = 296.83482206609 * ( T * ((2.71518561e+00_pr) & + T *((0.001031263715_pr) & + T *((-3.32941923666667e-07_pr) & + T *((5.7513252e-11_pr) & + T *((-4.07295432e-15_pr)))))) + (-1.41518724e+04_pr)) Cp(sCO) = 296.83482206609 * ((2.71518561e+00_pr) & + T *((2.06252743e-03_pr) & + T *((-9.98825771e-07_pr) & + T *((2.30053008e-10_pr) & + T *(-2.03647716e-14_pr))))) dH(sCO) = 296.83482206609 * ( (2.71518561e+00_pr) & + T *((2.06252743e-03_pr) & + T *((-9.98825771e-07_pr) & + T *((2.30053008e-10_pr) & + T *((-2.03647716e-14_pr))))) ) H(sCH) = 638.643553161778 * ( T * ((2.87846473e+00_pr) & + T *((0.0004854568405_pr) & + T *((4.81485516666667e-08_pr) & + T *((-3.267196225e-11_pr) & + T *((3.52158766e-15_pr)))))) + (7.10124364e+04_pr)) Cp(sCH) = 638.643553161778 * ((2.87846473e+00_pr) & + T *((9.70913681e-04_pr) & + T *((1.44445655e-07_pr) & + T *((-1.30687849e-10_pr) & + T *(1.76079383e-14_pr))))) dH(sCH) = 638.643553161778 * ( (2.87846473e+00_pr) & + T *((9.70913681e-04_pr) & + T *((1.44445655e-07_pr) & + T *((-1.30687849e-10_pr) & + T *((1.76079383e-14_pr))))) ) H(sCH2) = 592.752066033216 * ( T * ((2.87410113e+00_pr) & + T *((0.00182819646_pr) & + T *((-4.69648656666667e-07_pr) & + T *((6.504488725e-11_pr) & + T *((-3.75455134e-15_pr)))))) + (4.62636040e+04_pr)) Cp(sCH2) = 592.752066033216 * ((2.87410113e+00_pr) & + T *((3.65639292e-03_pr) & + T *((-1.40894597e-06_pr) & + T *((2.60179549e-10_pr) & + T *(-1.87727567e-14_pr))))) dH(sCH2) = 592.752066033216 * ( (2.87410113e+00_pr) & + T *((3.65639292e-03_pr) & + T *((-1.40894597e-06_pr) & + T *((2.60179549e-10_pr) & + T *((-1.87727567e-14_pr))))) ) H(sHCO) = 286.524387680343 * ( T * ((2.77217438e+00_pr) & + T *((0.00247847763_pr) & + T *((-8.28152043333333e-07_pr) & + T *((1.472904445e-10_pr) & + T *((-1.067017422e-14_pr)))))) + (4.01191815e+03_pr)) Cp(sHCO) = 286.524387680343 * ((2.77217438e+00_pr) & + T *((4.95695526e-03_pr) & + T *((-2.48445613e-06_pr) & + T *((5.89161778e-10_pr) & + T *(-5.33508711e-14_pr))))) dH(sHCO) = 286.524387680343 * ( (2.77217438e+00_pr) & + T *((4.95695526e-03_pr) & + T *((-2.48445613e-06_pr) & + T *((5.89161778e-10_pr) & + T *((-5.33508711e-14_pr))))) ) H(sCH2O) = 276.906166864493 * ( T * ((1.76069008e+00_pr) & + T *((0.00460000041_pr) & + T *((-1.47419604333333e-06_pr) & + T *((2.5160303e-10_pr) & + T *((-1.76771128e-14_pr)))))) + (-1.39958323e+04_pr)) Cp(sCH2O) = 276.906166864493 * ((1.76069008e+00_pr) & + T *((9.20000082e-03_pr) & + T *((-4.42258813e-06_pr) & + T *((1.00641212e-09_pr) & + T *(-8.83855640e-14_pr))))) dH(sCH2O) = 276.906166864493 * ( (1.76069008e+00_pr) & + T *((9.20000082e-03_pr) & + T *((-4.42258813e-06_pr) & + T *((1.00641212e-09_pr) & + T *((-8.83855640e-14_pr))))) ) H(sCH3) = 553.013744095373 * ( T * ((2.28571772e+00_pr) & + T *((0.003619950185_pr) & + T *((-9.95714493333333e-07_pr) & + T *((1.48921161e-10_pr) & + T *((-9.34308788e-15_pr)))))) + (1.67755843e+04_pr)) Cp(sCH3) = 553.013744095373 * ((2.28571772e+00_pr) & + T *((7.23990037e-03_pr) & + T *((-2.98714348e-06_pr) & + T *((5.95684644e-10_pr) & + T *(-4.67154394e-14_pr))))) dH(sCH3) = 553.013744095373 * ( (2.28571772e+00_pr) & + T *((7.23990037e-03_pr) & + T *((-2.98714348e-06_pr) & + T *((5.95684644e-10_pr) & + T *((-4.67154394e-14_pr))))) ) H(s1XCH2) = 592.752066033216 * ( T * ((2.29203842e+00_pr) & + T *((0.002327943185_pr) & + T *((-6.70639823333333e-07_pr) & + T *((1.044765e-10_pr) & + T *((-6.7943273e-15_pr)))))) + (5.09259997e+04_pr)) Cp(s1XCH2) = 592.752066033216 * ((2.29203842e+00_pr) & + T *((4.65588637e-03_pr) & + T *((-2.01191947e-06_pr) & + T *((4.17906000e-10_pr) & + T *(-3.39716365e-14_pr))))) dH(s1XCH2) = 592.752066033216 * ( (2.29203842e+00_pr) & + T *((4.65588637e-03_pr) & + T *((-2.01191947e-06_pr) & + T *((4.17906000e-10_pr) & + T *((-3.39716365e-14_pr))))) ) H(sCH3OH) = 259.485069046531 * ( T * ((1.78970791e+00_pr) & + T *((0.0070469146_pr) & + T *((-2.12166945e-06_pr) & + T *((3.454277125e-10_pr) & + T *((-2.3412044e-14_pr)))))) + (-2.53748747e+04_pr)) Cp(sCH3OH) = 259.485069046531 * ((1.78970791e+00_pr) & + T *((1.40938292e-02_pr) & + T *((-6.36500835e-06_pr) & + T *((1.38171085e-09_pr) & + T *(-1.17060220e-13_pr))))) dH(sCH3OH) = 259.485069046531 * ( (1.78970791e+00_pr) & + T *((1.40938292e-02_pr) & + T *((-6.36500835e-06_pr) & + T *((1.38171085e-09_pr) & + T *((-1.17060220e-13_pr))))) ) H(sCH3O) = 267.912713772088 * ( T * ((3.77079900e+00_pr) & + T *((0.0039357485_pr) & + T *((-8.85461333333333e-07_pr) & + T *((9.8610775e-11_pr) & + T *((-4.225232e-15_pr)))))) + (1.27832520e+02_pr)) Cp(sCH3O) = 267.912713772088 * ((3.77079900e+00_pr) & + T *((7.87149700e-03_pr) & + T *((-2.65638400e-06_pr) & + T *((3.94443100e-10_pr) & + T *(-2.11261600e-14_pr))))) dH(sCH3O) = 267.912713772088 * ( (3.77079900e+00_pr) & + T *((7.87149700e-03_pr) & + T *((-2.65638400e-06_pr) & + T *((3.94443100e-10_pr) & + T *((-2.11261600e-14_pr))))) ) H(sC2H2) = 319.321776580889 * ( T * ((4.14756964e+00_pr) & + T *((0.00298083332_pr) & + T *((-7.9098284e-07_pr) & + T *((1.1685304275e-10_pr) & + T *((-7.22470426e-15_pr)))))) + (2.59359992e+04_pr)) Cp(sC2H2) = 319.321776580889 * ((4.14756964e+00_pr) & + T *((5.96166664e-03_pr) & + T *((-2.37294852e-06_pr) & + T *((4.67412171e-10_pr) & + T *(-3.61235213e-14_pr))))) dH(sC2H2) = 319.321776580889 * ( (4.14756964e+00_pr) & + T *((5.96166664e-03_pr) & + T *((-2.37294852e-06_pr) & + T *((4.67412171e-10_pr) & + T *((-3.61235213e-14_pr))))) ) H(sC2H5) = 286.096893849981 * ( T * ((1.95465642e+00_pr) & + T *((0.0086986361_pr) & + T *((-2.66068889333333e-06_pr) & + T *((4.380442225e-10_pr) & + T *((-2.99283152e-14_pr)))))) + (1.28575200e+04_pr)) Cp(sC2H5) = 286.096893849981 * ((1.95465642e+00_pr) & + T *((1.73972722e-02_pr) & + T *((-7.98206668e-06_pr) & + T *((1.75217689e-09_pr) & + T *(-1.49641576e-13_pr))))) dH(sC2H5) = 286.096893849981 * ( (1.95465642e+00_pr) & + T *((1.73972722e-02_pr) & + T *((-7.98206668e-06_pr) & + T *((1.75217689e-09_pr) & + T *((-1.49641576e-13_pr))))) ) H(sCH4) = 518.268807860992 * ( T * ((7.48514950e-02_pr) & + T *((0.00669547335_pr) & + T *((-1.91095269666667e-06_pr) & + T *((3.057313375e-10_pr) & + T *((-2.0363046e-14_pr)))))) + (-9.46834459e+03_pr)) Cp(sCH4) = 518.268807860992 * ((7.48514950e-02_pr) & + T *((1.33909467e-02_pr) & + T *((-5.73285809e-06_pr) & + T *((1.22292535e-09_pr) & + T *(-1.01815230e-13_pr))))) dH(sCH4) = 518.268807860992 * ( (7.48514950e-02_pr) & + T *((1.33909467e-02_pr) & + T *((-5.73285809e-06_pr) & + T *((1.22292535e-09_pr) & + T *((-1.01815230e-13_pr))))) ) H(sC2H3) = 307.421335348679 * ( T * ((3.01672400e+00_pr) & + T *((0.0051651146_pr) & + T *((-1.56027449666667e-06_pr) & + T *((2.5440822e-10_pr) & + T *((-1.725214082e-14_pr)))))) + (3.46128739e+04_pr)) Cp(sC2H3) = 307.421335348679 * ((3.01672400e+00_pr) & + T *((1.03302292e-02_pr) & + T *((-4.68082349e-06_pr) & + T *((1.01763288e-09_pr) & + T *(-8.62607041e-14_pr))))) dH(sC2H3) = 307.421335348679 * ( (3.01672400e+00_pr) & + T *((1.03302292e-02_pr) & + T *((-4.68082349e-06_pr) & + T *((1.01763288e-09_pr) & + T *((-8.62607041e-14_pr))))) ) H(sC2H6) = 276.506872047687 * ( T * ((1.07188150e+00_pr) & + T *((0.01084263385_pr) & + T *((-3.3418689e-06_pr) & + T *((5.535300025e-10_pr) & + T *((-3.8000578e-14_pr)))))) + (-1.14263932e+04_pr)) Cp(sC2H6) = 276.506872047687 * ((1.07188150e+00_pr) & + T *((2.16852677e-02_pr) & + T *((-1.00256067e-05_pr) & + T *((2.21412001e-09_pr) & + T *(-1.90002890e-13_pr))))) dH(sC2H6) = 276.506872047687 * ( (1.07188150e+00_pr) & + T *((2.16852677e-02_pr) & + T *((-1.00256067e-05_pr) & + T *((2.21412001e-09_pr) & + T *((-1.90002890e-13_pr))))) ) H(sC2H4) = 296.376033016608 * ( T * ((2.03611116e+00_pr) & + T *((0.00732270755_pr) & + T *((-2.23692638333333e-06_pr) & + T *((3.680573075e-10_pr) & + T *((-2.51412122e-14_pr)))))) + (4.93988614e+03_pr)) Cp(sC2H4) = 296.376033016608 * ((2.03611116e+00_pr) & + T *((1.46454151e-02_pr) & + T *((-6.71077915e-06_pr) & + T *((1.47222923e-09_pr) & + T *(-1.25706061e-13_pr))))) dH(sC2H4) = 296.376033016608 * ( (2.03611116e+00_pr) & + T *((1.46454151e-02_pr) & + T *((-6.71077915e-06_pr) & + T *((1.47222923e-09_pr) & + T *((-1.25706061e-13_pr))))) ) H(sCO2) = 188.922969429536 * ( T * ((3.85746029e+00_pr) & + T *((0.00220718513_pr) & + T *((-7.38271346666667e-07_pr) & + T *((1.30872547e-10_pr) & + T *((-9.44168328e-15_pr)))))) + (-4.87591660e+04_pr)) Cp(sCO2) = 188.922969429536 * ((3.85746029e+00_pr) & + T *((4.41437026e-03_pr) & + T *((-2.21481404e-06_pr) & + T *((5.23490188e-10_pr) & + T *(-4.72084164e-14_pr))))) dH(sCO2) = 188.922969429536 * ( (3.85746029e+00_pr) & + T *((4.41437026e-03_pr) & + T *((-2.21481404e-06_pr) & + T *((5.23490188e-10_pr) & + T *((-4.72084164e-14_pr))))) ) H(sHCCO) = 202.646742550575 * ( T * ((5.62820580e+00_pr) & + T *((0.00204267005_pr) & + T *((-5.31151566666667e-07_pr) & + T *((7.156513e-11_pr) & + T *((-3.8815664e-15_pr)))))) + (1.93272150e+04_pr)) Cp(sHCCO) = 202.646742550575 * ((5.62820580e+00_pr) & + T *((4.08534010e-03_pr) & + T *((-1.59345470e-06_pr) & + T *((2.86260520e-10_pr) & + T *(-1.94078320e-14_pr))))) dH(sHCCO) = 202.646742550575 * ( (5.62820580e+00_pr) & + T *((4.08534010e-03_pr) & + T *((-1.59345470e-06_pr) & + T *((2.86260520e-10_pr) & + T *((-1.94078320e-14_pr))))) ) H(sN) = 593.604371895245 * ( T * ((2.41594290e+00_pr) & + T *((8.7445325e-05_pr) & + T *((-3.96745633333333e-08_pr) & + T *((7.55656125e-12_pr) & + T *((-4.0721964e-16_pr)))))) + (5.61337730e+04_pr)) Cp(sN) = 593.604371895245 * ((2.41594290e+00_pr) & + T *((1.74890650e-04_pr) & + T *((-1.19023690e-07_pr) & + T *((3.02262450e-11_pr) & + T *(-2.03609820e-15_pr))))) dH(sN) = 593.604371895245 * ( (2.41594290e+00_pr) & + T *((1.74890650e-04_pr) & + T *((-1.19023690e-07_pr) & + T *((3.02262450e-11_pr) & + T *((-2.03609820e-15_pr))))) ) H(sNO) = 277.092025165516 * ( T * ((3.26060560e+00_pr) & + T *((0.00059555215_pr) & + T *((-1.43056826666667e-07_pr) & + T *((1.736441725e-11_pr) & + T *((-8.0672198e-16_pr)))))) + (9.92097460e+03_pr)) Cp(sNO) = 277.092025165516 * ((3.26060560e+00_pr) & + T *((1.19110430e-03_pr) & + T *((-4.29170480e-07_pr) & + T *((6.94576690e-11_pr) & + T *(-4.03360990e-15_pr))))) dH(sNO) = 277.092025165516 * ( (3.26060560e+00_pr) & + T *((1.19110430e-03_pr) & + T *((-4.29170480e-07_pr) & + T *((6.94576690e-11_pr) & + T *((-4.03360990e-15_pr))))) ) H(sHCN) = 307.650430997481 * ( T * ((3.80223920e+00_pr) & + T *((0.0015732114_pr) & + T *((-3.54406166666667e-07_pr) & + T *((4.15493925e-11_pr) & + T *((-1.9599514e-15_pr)))))) + (1.44072920e+04_pr)) Cp(sHCN) = 307.650430997481 * ((3.80223920e+00_pr) & + T *((3.14642280e-03_pr) & + T *((-1.06321850e-06_pr) & + T *((1.66197570e-10_pr) & + T *(-9.79975700e-15_pr))))) dH(sHCN) = 307.650430997481 * ( (3.80223920e+00_pr) & + T *((3.14642280e-03_pr) & + T *((-1.06321850e-06_pr) & + T *((1.66197570e-10_pr) & + T *((-9.79975700e-15_pr))))) ) H(sNH) = 553.755531253413 * ( T * ((2.78369280e+00_pr) & + T *((0.0006649215_pr) & + T *((-1.4159349e-07_pr) & + T *((1.958712525e-11_pr) & + T *((-1.1008894e-15_pr)))))) + (4.21208480e+04_pr)) Cp(sNH) = 553.755531253413 * ((2.78369280e+00_pr) & + T *((1.32984300e-03_pr) & + T *((-4.24780470e-07_pr) & + T *((7.83485010e-11_pr) & + T *(-5.50444700e-15_pr))))) dH(sNH) = 553.755531253413 * ( (2.78369280e+00_pr) & + T *((1.32984300e-03_pr) & + T *((-4.24780470e-07_pr) & + T *((7.83485010e-11_pr) & + T *((-5.50444700e-15_pr))))) ) H(sHNO) = 268.08669159298 * ( T * ((2.97925090e+00_pr) & + T *((0.00174720295_pr) & + T *((-2.61832593333333e-07_pr) & + T *((1.43698985e-11_pr) & + T *((-3.8671832e-17_pr)))))) + (1.17505820e+04_pr)) Cp(sHNO) = 268.08669159298 * ((2.97925090e+00_pr) & + T *((3.49440590e-03_pr) & + T *((-7.85497780e-07_pr) & + T *((5.74795940e-11_pr) & + T *(-1.93359160e-16_pr))))) dH(sHNO) = 268.08669159298 * ( (2.97925090e+00_pr) & + T *((3.49440590e-03_pr) & + T *((-7.85497780e-07_pr) & + T *((5.74795940e-11_pr) & + T *((-1.93359160e-16_pr))))) ) H(sNH2) = 518.920257735626 * ( T * ((2.83474210e+00_pr) & + T *((0.0016036541_pr) & + T *((-3.1130268e-07_pr) & + T *((3.42573825e-11_pr) & + T *((-1.58412288e-15_pr)))))) + (2.21719570e+04_pr)) Cp(sNH2) = 518.920257735626 * ((2.83474210e+00_pr) & + T *((3.20730820e-03_pr) & + T *((-9.33908040e-07_pr) & + T *((1.37029530e-10_pr) & + T *(-7.92061440e-15_pr))))) dH(sNH2) = 518.920257735626 * ( (2.83474210e+00_pr) & + T *((3.20730820e-03_pr) & + T *((-9.33908040e-07_pr) & + T *((1.37029530e-10_pr) & + T *((-7.92061440e-15_pr))))) ) H(sNCO) = 197.882628374992 * ( T * ((5.15218450e+00_pr) & + T *((0.00115258805_pr) & + T *((-2.93443843333333e-07_pr) & + T *((3.6972745e-11_pr) & + T *((-1.81955992e-15_pr)))))) + (1.40041230e+04_pr)) Cp(sNCO) = 197.882628374992 * ((5.15218450e+00_pr) & + T *((2.30517610e-03_pr) & + T *((-8.80331530e-07_pr) & + T *((1.47890980e-10_pr) & + T *(-9.09779960e-15_pr))))) dH(sNCO) = 197.882628374992 * ( (5.15218450e+00_pr) & + T *((2.30517610e-03_pr) & + T *((-8.80331530e-07_pr) & + T *((1.47890980e-10_pr) & + T *((-9.09779960e-15_pr))))) ) H(sHCNO) = 193.246871359681 * ( T * ((6.59860456e+00_pr) & + T *((0.00151389313_pr) & + T *((-3.59014486666667e-07_pr) & + T *((4.2916632e-11_pr) & + T *((-2.02878782e-15_pr)))))) + (1.79661339e+04_pr)) Cp(sHCNO) = 193.246871359681 * ((6.59860456e+00_pr) & + T *((3.02778626e-03_pr) & + T *((-1.07704346e-06_pr) & + T *((1.71666528e-10_pr) & + T *(-1.01439391e-14_pr))))) dH(sHCNO) = 193.246871359681 * ( (6.59860456e+00_pr) & + T *((3.02778626e-03_pr) & + T *((-1.07704346e-06_pr) & + T *((1.71666528e-10_pr) & + T *((-1.01439391e-14_pr))))) ) H(sNO2) = 180.727410220595 * ( T * ((4.88475420e+00_pr) & + T *((0.0010861978_pr) & + T *((-2.7602302e-07_pr) & + T *((3.9368775e-11_pr) & + T *((-2.102179e-15_pr)))))) + (2.31649830e+03_pr)) Cp(sNO2) = 180.727410220595 * ((4.88475420e+00_pr) & + T *((2.17239560e-03_pr) & + T *((-8.28069060e-07_pr) & + T *((1.57475100e-10_pr) & + T *(-1.05108950e-14_pr))))) dH(sNO2) = 180.727410220595 * ( (4.88475420e+00_pr) & + T *((2.17239560e-03_pr) & + T *((-8.28069060e-07_pr) & + T *((1.57475100e-10_pr) & + T *((-1.05108950e-14_pr))))) ) H(sN2O) = 188.909748691747 * ( T * ((4.82307290e+00_pr) & + T *((0.00131351255_pr) & + T *((-3.19502913333333e-07_pr) & + T *((4.000178e-11_pr) & + T *((-1.95504606e-15_pr)))))) + (8.07340480e+03_pr)) Cp(sN2O) = 188.909748691747 * ((4.82307290e+00_pr) & + T *((2.62702510e-03_pr) & + T *((-9.58508740e-07_pr) & + T *((1.60007120e-10_pr) & + T *(-9.77523030e-15_pr))))) dH(sN2O) = 188.909748691747 * ( (4.82307290e+00_pr) & + T *((2.62702510e-03_pr) & + T *((-9.58508740e-07_pr) & + T *((1.60007120e-10_pr) & + T *((-9.77523030e-15_pr))))) ) H(sHNCO) = 193.246871359681 * ( T * ((6.22395134e+00_pr) & + T *((0.00158932002_pr) & + T *((-3.6459585e-07_pr) & + T *((4.268379075e-11_pr) & + T *((-1.99004391e-15_pr)))))) + (-1.66599344e+04_pr)) Cp(sHNCO) = 193.246871359681 * ((6.22395134e+00_pr) & + T *((3.17864004e-03_pr) & + T *((-1.09378755e-06_pr) & + T *((1.70735163e-10_pr) & + T *(-9.95021955e-15_pr))))) dH(sHNCO) = 193.246871359681 * ( (6.22395134e+00_pr) & + T *((3.17864004e-03_pr) & + T *((-1.09378755e-06_pr) & + T *((1.70735163e-10_pr) & + T *((-9.95021955e-15_pr))))) ) H(sHOCN) = 193.246871359681 * ( T * ((5.89784885e+00_pr) & + T *((0.001583946965_pr) & + T *((-3.72670213333333e-07_pr) & + T *((4.4310786e-11_pr) & + T *((-2.08678354e-15_pr)))))) + (-3.70653331e+03_pr)) Cp(sHOCN) = 193.246871359681 * ((5.89784885e+00_pr) & + T *((3.16789393e-03_pr) & + T *((-1.11801064e-06_pr) & + T *((1.77243144e-10_pr) & + T *(-1.04339177e-14_pr))))) dH(sHOCN) = 193.246871359681 * ( (5.89784885e+00_pr) & + T *((3.16789393e-03_pr) & + T *((-1.11801064e-06_pr) & + T *((1.77243144e-10_pr) & + T *((-1.04339177e-14_pr))))) ) H(sNNH) = 286.493979274619 * ( T * ((3.76675440e+00_pr) & + T *((0.0014457541_pr) & + T *((-3.47220666666667e-07_pr) & + T *((4.2106485e-11_pr) & + T *((-2.0183792e-15_pr)))))) + (2.86506970e+04_pr)) Cp(sNNH) = 286.493979274619 * ((3.76675440e+00_pr) & + T *((2.89150820e-03_pr) & + T *((-1.04166200e-06_pr) & + T *((1.68425940e-10_pr) & + T *(-1.00918960e-14_pr))))) dH(sNNH) = 286.493979274619 * ( (3.76675440e+00_pr) & + T *((2.89150820e-03_pr) & + T *((-1.04166200e-06_pr) & + T *((1.68425940e-10_pr) & + T *((-1.00918960e-14_pr))))) ) else H(sN2) = 296.802185947622 * ( T * ((3.29867700e+00_pr) & + T *((0.0007041202_pr) & + T *((-1.321074e-06_pr) & + T *((1.41037875e-09_pr) & + T *((-4.889708e-13_pr)))))) + (-1.02089990e+03_pr)) Cp(sN2) = 296.802185947622 * ((3.29867700e+00_pr) & + T *((1.40824040e-03_pr) & + T *((-3.96322200e-06_pr) & + T *((5.64151500e-09_pr) & + T *(-2.44485400e-12_pr))))) dH(sN2) = 296.802185947622 * ( (3.29867700e+00_pr) & + T *((1.40824040e-03_pr) & + T *((-3.96322200e-06_pr) & + T *((5.64151500e-09_pr) & + T *((-2.44485400e-12_pr))))) ) H(sH) = 8248.96531539576 * ( T * ((2.50000000e+00_pr) & + T *((3.526664095e-13_pr) & + T *((-6.65306546666667e-16_pr) & + T *((5.7520408e-19_pr) & + T *((-1.855464664e-22_pr)))))) + (2.54736599e+04_pr)) Cp(sH) = 8248.96531539576 * ((2.50000000e+00_pr) & + T *((7.05332819e-13_pr) & + T *((-1.99591964e-15_pr) & + T *((2.30081632e-18_pr) & + T *(-9.27732332e-22_pr))))) dH(sH) = 8248.96531539576 * ( (2.50000000e+00_pr) & + T *((7.05332819e-13_pr) & + T *((-1.99591964e-15_pr) & + T *((2.30081632e-18_pr) & + T *((-9.27732332e-22_pr))))) ) H(sH2) = 4124.48265769788 * ( T * ((2.34433112e+00_pr) & + T *((0.003990260375_pr) & + T *((-6.492717e-06_pr) & + T *((5.03930235e-09_pr) & + T *((-1.475223522e-12_pr)))))) + (-9.17935173e+02_pr)) Cp(sH2) = 4124.48265769788 * ((2.34433112e+00_pr) & + T *((7.98052075e-03_pr) & + T *((-1.94781510e-05_pr) & + T *((2.01572094e-08_pr) & + T *(-7.37611761e-12_pr))))) dH(sH2) = 4124.48265769788 * ( (2.34433112e+00_pr) & + T *((7.98052075e-03_pr) & + T *((-1.94781510e-05_pr) & + T *((2.01572094e-08_pr) & + T *((-7.37611761e-12_pr))))) ) H(sO) = 519.673369001338 * ( T * ((3.16826710e+00_pr) & + T *((-0.00163965942_pr) & + T *((2.21435465333333e-06_pr) & + T *((-1.53201656e-09_pr) & + T *((4.22531942e-13_pr)))))) + (2.91222592e+04_pr)) Cp(sO) = 519.673369001338 * ((3.16826710e+00_pr) & + T *((-3.27931884e-03_pr) & + T *((6.64306396e-06_pr) & + T *((-6.12806624e-09_pr) & + T *(2.11265971e-12_pr))))) dH(sO) = 519.673369001338 * ( (3.16826710e+00_pr) & + T *((-3.27931884e-03_pr) & + T *((6.64306396e-06_pr) & + T *((-6.12806624e-09_pr) & + T *((2.11265971e-12_pr))))) ) H(sO2) = 259.836684500669 * ( T * ((3.78245636e+00_pr) & + T *((-0.00149836708_pr) & + T *((3.28243400333333e-06_pr) & + T *((-2.4203237725e-09_pr) & + T *((6.48745674e-13_pr)))))) + (-1.06394356e+03_pr)) Cp(sO2) = 259.836684500669 * ((3.78245636e+00_pr) & + T *((-2.99673416e-03_pr) & + T *((9.84730201e-06_pr) & + T *((-9.68129509e-09_pr) & + T *(3.24372837e-12_pr))))) dH(sO2) = 259.836684500669 * ( (3.78245636e+00_pr) & + T *((-2.99673416e-03_pr) & + T *((9.84730201e-06_pr) & + T *((-9.68129509e-09_pr) & + T *((3.24372837e-12_pr))))) ) H(sOH) = 488.874926943308 * ( T * ((3.99201543e+00_pr) & + T *((-0.00120065876_pr) & + T *((1.53931280333333e-06_pr) & + T *((-9.702833325e-10_pr) & + T *((2.7282294e-13_pr)))))) + (3.61508056e+03_pr)) Cp(sOH) = 488.874926943308 * ((3.99201543e+00_pr) & + T *((-2.40131752e-03_pr) & + T *((4.61793841e-06_pr) & + T *((-3.88113333e-09_pr) & + T *(1.36411470e-12_pr))))) dH(sOH) = 488.874926943308 * ( (3.99201543e+00_pr) & + T *((-2.40131752e-03_pr) & + T *((4.61793841e-06_pr) & + T *((-3.88113333e-09_pr) & + T *((1.36411470e-12_pr))))) ) H(sH2O) = 461.522779551581 * ( T * ((4.19864056e+00_pr) & + T *((-0.00101821705_pr) & + T *((2.17346737e-06_pr) & + T *((-1.371992655e-09_pr) & + T *((3.54395634e-13_pr)))))) + (-3.02937267e+04_pr)) Cp(sH2O) = 461.522779551581 * ((4.19864056e+00_pr) & + T *((-2.03643410e-03_pr) & + T *((6.52040211e-06_pr) & + T *((-5.48797062e-09_pr) & + T *(1.77197817e-12_pr))))) dH(sH2O) = 461.522779551581 * ( (4.19864056e+00_pr) & + T *((-2.03643410e-03_pr) & + T *((6.52040211e-06_pr) & + T *((-5.48797062e-09_pr) & + T *((1.77197817e-12_pr))))) ) H(sH2O2) = 244.437463471654 * ( T * ((4.27611269e+00_pr) & + T *((-0.0002714112085_pr) & + T *((5.5778567e-06_pr) & + T *((-5.394270325e-09_pr) & + T *((1.724908726e-12_pr)))))) + (-1.77025821e+04_pr)) Cp(sH2O2) = 244.437463471654 * ((4.27611269e+00_pr) & + T *((-5.42822417e-04_pr) & + T *((1.67335701e-05_pr) & + T *((-2.15770813e-08_pr) & + T *(8.62454363e-12_pr))))) dH(sH2O2) = 244.437463471654 * ( (4.27611269e+00_pr) & + T *((-5.42822417e-04_pr) & + T *((1.67335701e-05_pr) & + T *((-2.15770813e-08_pr) & + T *((8.62454363e-12_pr))))) ) H(sHO2) = 251.901947905185 * ( T * ((4.30179801e+00_pr) & + T *((-0.002374560255_pr) & + T *((7.05276303333333e-06_pr) & + T *((-6.06909735e-09_pr) & + T *((1.858450248e-12_pr)))))) + (2.94808040e+02_pr)) Cp(sHO2) = 251.901947905185 * ((4.30179801e+00_pr) & + T *((-4.74912051e-03_pr) & + T *((2.11582891e-05_pr) & + T *((-2.42763894e-08_pr) & + T *(9.29225124e-12_pr))))) dH(sHO2) = 251.901947905185 * ( (4.30179801e+00_pr) & + T *((-4.74912051e-03_pr) & + T *((2.11582891e-05_pr) & + T *((-2.42763894e-08_pr) & + T *((9.29225124e-12_pr))))) ) H(sC) = 692.237290816751 * ( T * ((2.55423955e+00_pr) & + T *((-0.000160768862_pr) & + T *((2.44597415e-07_pr) & + T *((-1.8305872225e-10_pr) & + T *((5.33042892e-14_pr)))))) + (8.54438832e+04_pr)) Cp(sC) = 692.237290816751 * ((2.55423955e+00_pr) & + T *((-3.21537724e-04_pr) & + T *((7.33792245e-07_pr) & + T *((-7.32234889e-10_pr) & + T *(2.66521446e-13_pr))))) dH(sC) = 692.237290816751 * ( (2.55423955e+00_pr) & + T *((-3.21537724e-04_pr) & + T *((7.33792245e-07_pr) & + T *((-7.32234889e-10_pr) & + T *((2.66521446e-13_pr))))) ) H(sCO) = 296.83482206609 * ( T * ((3.57953347e+00_pr) & + T *((-0.00030517684_pr) & + T *((3.3893811e-07_pr) & + T *((2.26751471e-10_pr) & + T *((-1.808848998e-13_pr)))))) + (-1.43440860e+04_pr)) Cp(sCO) = 296.83482206609 * ((3.57953347e+00_pr) & + T *((-6.10353680e-04_pr) & + T *((1.01681433e-06_pr) & + T *((9.07005884e-10_pr) & + T *(-9.04424499e-13_pr))))) dH(sCO) = 296.83482206609 * ( (3.57953347e+00_pr) & + T *((-6.10353680e-04_pr) & + T *((1.01681433e-06_pr) & + T *((9.07005884e-10_pr) & + T *((-9.04424499e-13_pr))))) ) H(sCH) = 638.643553161778 * ( T * ((3.48981665e+00_pr) & + T *((0.0001619177705_pr) & + T *((-5.62996883333333e-07_pr) & + T *((7.905433175e-10_pr) & + T *((-2.81218134e-13_pr)))))) + (7.07972934e+04_pr)) Cp(sCH) = 638.643553161778 * ((3.48981665e+00_pr) & + T *((3.23835541e-04_pr) & + T *((-1.68899065e-06_pr) & + T *((3.16217327e-09_pr) & + T *(-1.40609067e-12_pr))))) dH(sCH) = 638.643553161778 * ( (3.48981665e+00_pr) & + T *((3.23835541e-04_pr) & + T *((-1.68899065e-06_pr) & + T *((3.16217327e-09_pr) & + T *((-1.40609067e-12_pr))))) ) H(sCH2) = 592.752066033216 * ( T * ((3.76267867e+00_pr) & + T *((0.0004844360715_pr) & + T *((9.31632803333333e-07_pr) & + T *((-9.627278825e-10_pr) & + T *((3.37483438e-13_pr)))))) + (4.60040401e+04_pr)) Cp(sCH2) = 592.752066033216 * ((3.76267867e+00_pr) & + T *((9.68872143e-04_pr) & + T *((2.79489841e-06_pr) & + T *((-3.85091153e-09_pr) & + T *(1.68741719e-12_pr))))) dH(sCH2) = 592.752066033216 * ( (3.76267867e+00_pr) & + T *((9.68872143e-04_pr) & + T *((2.79489841e-06_pr) & + T *((-3.85091153e-09_pr) & + T *((1.68741719e-12_pr))))) ) H(sHCO) = 286.524387680343 * ( T * ((4.22118584e+00_pr) & + T *((-0.00162196266_pr) & + T *((4.59331486666667e-06_pr) & + T *((-3.328602325e-09_pr) & + T *((8.6753773e-13_pr)))))) + (3.83956496e+03_pr)) Cp(sHCO) = 286.524387680343 * ((4.22118584e+00_pr) & + T *((-3.24392532e-03_pr) & + T *((1.37799446e-05_pr) & + T *((-1.33144093e-08_pr) & + T *(4.33768865e-12_pr))))) dH(sHCO) = 286.524387680343 * ( (4.22118584e+00_pr) & + T *((-3.24392532e-03_pr) & + T *((1.37799446e-05_pr) & + T *((-1.33144093e-08_pr) & + T *((4.33768865e-12_pr))))) ) H(sCH2O) = 276.906166864493 * ( T * ((4.79372315e+00_pr) & + T *((-0.004954166845_pr) & + T *((1.24406669333333e-05_pr) & + T *((-9.482131525e-09_pr) & + T *((2.63545304e-12_pr)))))) + (-1.43089567e+04_pr)) Cp(sCH2O) = 276.906166864493 * ((4.79372315e+00_pr) & + T *((-9.90833369e-03_pr) & + T *((3.73220008e-05_pr) & + T *((-3.79285261e-08_pr) & + T *(1.31772652e-11_pr))))) dH(sCH2O) = 276.906166864493 * ( (4.79372315e+00_pr) & + T *((-9.90833369e-03_pr) & + T *((3.73220008e-05_pr) & + T *((-3.79285261e-08_pr) & + T *((1.31772652e-11_pr))))) ) H(sCH3) = 553.013744095373 * ( T * ((3.67359040e+00_pr) & + T *((0.001005475875_pr) & + T *((1.91007285333333e-06_pr) & + T *((-1.7177935625e-09_pr) & + T *((5.08771468e-13_pr)))))) + (1.64449988e+04_pr)) Cp(sCH3) = 553.013744095373 * ((3.67359040e+00_pr) & + T *((2.01095175e-03_pr) & + T *((5.73021856e-06_pr) & + T *((-6.87117425e-09_pr) & + T *(2.54385734e-12_pr))))) dH(sCH3) = 553.013744095373 * ( (3.67359040e+00_pr) & + T *((2.01095175e-03_pr) & + T *((5.73021856e-06_pr) & + T *((-6.87117425e-09_pr) & + T *((2.54385734e-12_pr))))) ) H(s1XCH2) = 592.752066033216 * ( T * ((4.19860411e+00_pr) & + T *((-0.001183307095_pr) & + T *((2.74432073333333e-06_pr) & + T *((-1.6720399525e-09_pr) & + T *((3.88629474e-13_pr)))))) + (5.04968163e+04_pr)) Cp(s1XCH2) = 592.752066033216 * ((4.19860411e+00_pr) & + T *((-2.36661419e-03_pr) & + T *((8.23296220e-06_pr) & + T *((-6.68815981e-09_pr) & + T *(1.94314737e-12_pr))))) dH(s1XCH2) = 592.752066033216 * ( (4.19860411e+00_pr) & + T *((-2.36661419e-03_pr) & + T *((8.23296220e-06_pr) & + T *((-6.68815981e-09_pr) & + T *((1.94314737e-12_pr))))) ) H(sCH3OH) = 259.485069046531 * ( T * ((5.71539582e+00_pr) & + T *((-0.00761545645_pr) & + T *((2.17480385e-05_pr) & + T *((-1.7770172225e-08_pr) & + T *((5.22705396e-12_pr)))))) + (-2.56427656e+04_pr)) Cp(sCH3OH) = 259.485069046531 * ((5.71539582e+00_pr) & + T *((-1.52309129e-02_pr) & + T *((6.52441155e-05_pr) & + T *((-7.10806889e-08_pr) & + T *(2.61352698e-11_pr))))) dH(sCH3OH) = 259.485069046531 * ( (5.71539582e+00_pr) & + T *((-1.52309129e-02_pr) & + T *((6.52441155e-05_pr) & + T *((-7.10806889e-08_pr) & + T *((2.61352698e-11_pr))))) ) H(sCH3O) = 267.912713772088 * ( T * ((2.10620400e+00_pr) & + T *((0.0036082975_pr) & + T *((1.77949066666667e-06_pr) & + T *((-1.844409e-09_pr) & + T *((4.15122e-13_pr)))))) + (9.78601100e+02_pr)) Cp(sCH3O) = 267.912713772088 * ((2.10620400e+00_pr) & + T *((7.21659500e-03_pr) & + T *((5.33847200e-06_pr) & + T *((-7.37763600e-09_pr) & + T *(2.07561000e-12_pr))))) dH(sCH3O) = 267.912713772088 * ( (2.10620400e+00_pr) & + T *((7.21659500e-03_pr) & + T *((5.33847200e-06_pr) & + T *((-7.37763600e-09_pr) & + T *((2.07561000e-12_pr))))) ) H(sC2H2) = 319.321776580889 * ( T * ((8.08681094e-01_pr) & + T *((0.01168078145_pr) & + T *((-1.18390605e-05_pr) & + T *((7.003810925e-09_pr) & + T *((-1.700145948e-12_pr)))))) + (2.64289807e+04_pr)) Cp(sC2H2) = 319.321776580889 * ((8.08681094e-01_pr) & + T *((2.33615629e-02_pr) & + T *((-3.55171815e-05_pr) & + T *((2.80152437e-08_pr) & + T *(-8.50072974e-12_pr))))) dH(sC2H2) = 319.321776580889 * ( (8.08681094e-01_pr) & + T *((2.33615629e-02_pr) & + T *((-3.55171815e-05_pr) & + T *((2.80152437e-08_pr) & + T *((-8.50072974e-12_pr))))) ) H(sC2H5) = 286.096893849981 * ( T * ((4.30646568e+00_pr) & + T *((-0.00209329446_pr) & + T *((1.65714269e-05_pr) & + T *((-1.497816515e-08_pr) & + T *((4.61018008e-12_pr)))))) + (1.28416265e+04_pr)) Cp(sC2H5) = 286.096893849981 * ((4.30646568e+00_pr) & + T *((-4.18658892e-03_pr) & + T *((4.97142807e-05_pr) & + T *((-5.99126606e-08_pr) & + T *(2.30509004e-11_pr))))) dH(sC2H5) = 286.096893849981 * ( (4.30646568e+00_pr) & + T *((-4.18658892e-03_pr) & + T *((4.97142807e-05_pr) & + T *((-5.99126606e-08_pr) & + T *((2.30509004e-11_pr))))) ) H(sCH4) = 518.268807860992 * ( T * ((5.14987613e+00_pr) & + T *((-0.0068354894_pr) & + T *((1.63933533e-05_pr) & + T *((-1.211857565e-08_pr) & + T *((3.33387912e-12_pr)))))) + (-1.02466476e+04_pr)) Cp(sCH4) = 518.268807860992 * ((5.14987613e+00_pr) & + T *((-1.36709788e-02_pr) & + T *((4.91800599e-05_pr) & + T *((-4.84743026e-08_pr) & + T *(1.66693956e-11_pr))))) dH(sCH4) = 518.268807860992 * ( (5.14987613e+00_pr) & + T *((-1.36709788e-02_pr) & + T *((4.91800599e-05_pr) & + T *((-4.84743026e-08_pr) & + T *((1.66693956e-11_pr))))) ) H(sC2H3) = 307.421335348679 * ( T * ((3.21246645e+00_pr) & + T *((0.00075739581_pr) & + T *((8.64031373333333e-06_pr) & + T *((-8.941446175e-09_pr) & + T *((2.94301746e-12_pr)))))) + (3.48598468e+04_pr)) Cp(sC2H3) = 307.421335348679 * ((3.21246645e+00_pr) & + T *((1.51479162e-03_pr) & + T *((2.59209412e-05_pr) & + T *((-3.57657847e-08_pr) & + T *(1.47150873e-11_pr))))) dH(sC2H3) = 307.421335348679 * ( (3.21246645e+00_pr) & + T *((1.51479162e-03_pr) & + T *((2.59209412e-05_pr) & + T *((-3.57657847e-08_pr) & + T *((1.47150873e-11_pr))))) ) H(sC2H6) = 276.506872047687 * ( T * ((4.29142492e+00_pr) & + T *((-0.00275077135_pr) & + T *((1.99812762666667e-05_pr) & + T *((-1.7711657125e-08_pr) & + T *((5.37371542e-12_pr)))))) + (-1.15222055e+04_pr)) Cp(sC2H6) = 276.506872047687 * ((4.29142492e+00_pr) & + T *((-5.50154270e-03_pr) & + T *((5.99438288e-05_pr) & + T *((-7.08466285e-08_pr) & + T *(2.68685771e-11_pr))))) dH(sC2H6) = 276.506872047687 * ( (4.29142492e+00_pr) & + T *((-5.50154270e-03_pr) & + T *((5.99438288e-05_pr) & + T *((-7.08466285e-08_pr) & + T *((2.68685771e-11_pr))))) ) H(sC2H4) = 296.376033016608 * ( T * ((3.95920148e+00_pr) & + T *((-0.003785261235_pr) & + T *((1.90330097333333e-05_pr) & + T *((-1.7289718825e-08_pr) & + T *((5.39768746e-12_pr)))))) + (5.08977593e+03_pr)) Cp(sC2H4) = 296.376033016608 * ((3.95920148e+00_pr) & + T *((-7.57052247e-03_pr) & + T *((5.70990292e-05_pr) & + T *((-6.91588753e-08_pr) & + T *(2.69884373e-11_pr))))) dH(sC2H4) = 296.376033016608 * ( (3.95920148e+00_pr) & + T *((-7.57052247e-03_pr) & + T *((5.70990292e-05_pr) & + T *((-6.91588753e-08_pr) & + T *((2.69884373e-11_pr))))) ) H(sCO2) = 188.922969429536 * ( T * ((2.35677352e+00_pr) & + T *((0.004492298385_pr) & + T *((-2.37452089666667e-06_pr) & + T *((6.14797555e-10_pr) & + T *((-2.87399096e-14_pr)))))) + (-4.83719697e+04_pr)) Cp(sCO2) = 188.922969429536 * ((2.35677352e+00_pr) & + T *((8.98459677e-03_pr) & + T *((-7.12356269e-06_pr) & + T *((2.45919022e-09_pr) & + T *(-1.43699548e-13_pr))))) dH(sCO2) = 188.922969429536 * ( (2.35677352e+00_pr) & + T *((8.98459677e-03_pr) & + T *((-7.12356269e-06_pr) & + T *((2.45919022e-09_pr) & + T *((-1.43699548e-13_pr))))) ) H(sHCCO) = 202.646742550575 * ( T * ((2.25172140e+00_pr) & + T *((0.0088275105_pr) & + T *((-7.90970033333333e-06_pr) & + T *((4.31893975e-09_pr) & + T *((-1.01329622e-12_pr)))))) + (2.00594490e+04_pr)) Cp(sHCCO) = 202.646742550575 * ((2.25172140e+00_pr) & + T *((1.76550210e-02_pr) & + T *((-2.37291010e-05_pr) & + T *((1.72757590e-08_pr) & + T *(-5.06648110e-12_pr))))) dH(sHCCO) = 202.646742550575 * ( (2.25172140e+00_pr) & + T *((1.76550210e-02_pr) & + T *((-2.37291010e-05_pr) & + T *((1.72757590e-08_pr) & + T *((-5.06648110e-12_pr))))) ) H(sN) = 593.604371895245 * ( T * ((2.50000000e+00_pr) & + T *((0_pr) & + T *((0_pr) & + T *((0_pr) & + T *((0_pr)))))) + (5.61046370e+04_pr)) Cp(sN) = 593.604371895245 * ((2.50000000e+00_pr) & + T *((0.00000000e+00_pr) & + T *((0.00000000e+00_pr) & + T *((0.00000000e+00_pr) & + T *(0.00000000e+00_pr))))) dH(sN) = 593.604371895245 * ( (2.50000000e+00_pr) & + T *((0.00000000e+00_pr) & + T *((0.00000000e+00_pr) & + T *((0.00000000e+00_pr) & + T *((0.00000000e+00_pr))))) ) H(sNO) = 277.092025165516 * ( T * ((4.21847630e+00_pr) & + T *((-0.002319488_pr) & + T *((3.68034066666667e-06_pr) & + T *((-2.33403385e-09_pr) & + T *((5.607154e-13_pr)))))) + (9.84462300e+03_pr)) Cp(sNO) = 277.092025165516 * ((4.21847630e+00_pr) & + T *((-4.63897600e-03_pr) & + T *((1.10410220e-05_pr) & + T *((-9.33613540e-09_pr) & + T *(2.80357700e-12_pr))))) dH(sNO) = 277.092025165516 * ( (4.21847630e+00_pr) & + T *((-4.63897600e-03_pr) & + T *((1.10410220e-05_pr) & + T *((-9.33613540e-09_pr) & + T *((2.80357700e-12_pr))))) ) H(sHCN) = 307.650430997481 * ( T * ((2.25898860e+00_pr) & + T *((0.005025585_pr) & + T *((-4.45058766666667e-06_pr) & + T *((2.52308725e-09_pr) & + T *((-6.0178056e-13_pr)))))) + (1.47126330e+04_pr)) Cp(sHCN) = 307.650430997481 * ((2.25898860e+00_pr) & + T *((1.00511700e-02_pr) & + T *((-1.33517630e-05_pr) & + T *((1.00923490e-08_pr) & + T *(-3.00890280e-12_pr))))) dH(sHCN) = 307.650430997481 * ( (2.25898860e+00_pr) & + T *((1.00511700e-02_pr) & + T *((-1.33517630e-05_pr) & + T *((1.00923490e-08_pr) & + T *((-3.00890280e-12_pr))))) ) H(sNH) = 553.755531253413 * ( T * ((3.49290850e+00_pr) & + T *((0.00015589599_pr) & + T *((-4.96349466666667e-07_pr) & + T *((6.2041105e-10_pr) & + T *((-2.0713934e-13_pr)))))) + (4.18806290e+04_pr)) Cp(sNH) = 553.755531253413 * ((3.49290850e+00_pr) & + T *((3.11791980e-04_pr) & + T *((-1.48904840e-06_pr) & + T *((2.48164420e-09_pr) & + T *(-1.03569670e-12_pr))))) dH(sNH) = 553.755531253413 * ( (3.49290850e+00_pr) & + T *((3.11791980e-04_pr) & + T *((-1.48904840e-06_pr) & + T *((2.48164420e-09_pr) & + T *((-1.03569670e-12_pr))))) ) H(sHNO) = 268.08669159298 * ( T * ((4.53349160e+00_pr) & + T *((-0.00283480855_pr) & + T *((6.15773566666667e-06_pr) & + T *((-4.2842735e-09_pr) & + T *((1.10909146e-12_pr)))))) + (1.15482970e+04_pr)) Cp(sHNO) = 268.08669159298 * ((4.53349160e+00_pr) & + T *((-5.66961710e-03_pr) & + T *((1.84732070e-05_pr) & + T *((-1.71370940e-08_pr) & + T *(5.54545730e-12_pr))))) dH(sHNO) = 268.08669159298 * ( (4.53349160e+00_pr) & + T *((-5.66961710e-03_pr) & + T *((1.84732070e-05_pr) & + T *((-1.71370940e-08_pr) & + T *((5.54545730e-12_pr))))) ) H(sNH2) = 518.920257735626 * ( T * ((4.20400290e+00_pr) & + T *((-0.00105306925_pr) & + T *((2.36894493333333e-06_pr) & + T *((-1.402879925e-09_pr) & + T *((3.2881434e-13_pr)))))) + (2.18859100e+04_pr)) Cp(sNH2) = 518.920257735626 * ((4.20400290e+00_pr) & + T *((-2.10613850e-03_pr) & + T *((7.10683480e-06_pr) & + T *((-5.61151970e-09_pr) & + T *(1.64407170e-12_pr))))) dH(sNH2) = 518.920257735626 * ( (4.20400290e+00_pr) & + T *((-2.10613850e-03_pr) & + T *((7.10683480e-06_pr) & + T *((-5.61151970e-09_pr) & + T *((1.64407170e-12_pr))))) ) H(sNCO) = 197.882628374992 * ( T * ((2.82693080e+00_pr) & + T *((0.0044025844_pr) & + T *((-2.7955378e-06_pr) & + T *((1.2004241e-09_pr) & + T *((-2.662719e-13_pr)))))) + (1.46824770e+04_pr)) Cp(sNCO) = 197.882628374992 * ((2.82693080e+00_pr) & + T *((8.80516880e-03_pr) & + T *((-8.38661340e-06_pr) & + T *((4.80169640e-09_pr) & + T *(-1.33135950e-12_pr))))) dH(sNCO) = 197.882628374992 * ( (2.82693080e+00_pr) & + T *((8.80516880e-03_pr) & + T *((-8.38661340e-06_pr) & + T *((4.80169640e-09_pr) & + T *((-1.33135950e-12_pr))))) ) H(sHCNO) = 193.246871359681 * ( T * ((2.64727989e+00_pr) & + T *((0.0063752671_pr) & + T *((-3.4931412e-06_pr) & + T *((1.10358209e-09_pr) & + T *((-1.515042932e-13_pr)))))) + (1.92990252e+04_pr)) Cp(sHCNO) = 193.246871359681 * ((2.64727989e+00_pr) & + T *((1.27505342e-02_pr) & + T *((-1.04794236e-05_pr) & + T *((4.41432836e-09_pr) & + T *(-7.57521466e-13_pr))))) dH(sHCNO) = 193.246871359681 * ( (2.64727989e+00_pr) & + T *((1.27505342e-02_pr) & + T *((-1.04794236e-05_pr) & + T *((4.41432836e-09_pr) & + T *((-7.57521466e-13_pr))))) ) H(sNO2) = 180.727410220595 * ( T * ((3.94403120e+00_pr) & + T *((-0.0007927145_pr) & + T *((5.552604e-06_pr) & + T *((-5.1188565e-09_pr) & + T *((1.56701128e-12_pr)))))) + (2.89661790e+03_pr)) Cp(sNO2) = 180.727410220595 * ((3.94403120e+00_pr) & + T *((-1.58542900e-03_pr) & + T *((1.66578120e-05_pr) & + T *((-2.04754260e-08_pr) & + T *(7.83505640e-12_pr))))) dH(sNO2) = 180.727410220595 * ( (3.94403120e+00_pr) & + T *((-1.58542900e-03_pr) & + T *((1.66578120e-05_pr) & + T *((-2.04754260e-08_pr) & + T *((7.83505640e-12_pr))))) ) H(sN2O) = 188.909748691747 * ( T * ((2.25715020e+00_pr) & + T *((0.005652364_pr) & + T *((-4.55710633333333e-06_pr) & + T *((2.42049515e-09_pr) & + T *((-5.8614364e-13_pr)))))) + (8.74177440e+03_pr)) Cp(sN2O) = 188.909748691747 * ((2.25715020e+00_pr) & + T *((1.13047280e-02_pr) & + T *((-1.36713190e-05_pr) & + T *((9.68198060e-09_pr) & + T *(-2.93071820e-12_pr))))) dH(sN2O) = 188.909748691747 * ( (2.25715020e+00_pr) & + T *((1.13047280e-02_pr) & + T *((-1.36713190e-05_pr) & + T *((9.68198060e-09_pr) & + T *((-2.93071820e-12_pr))))) ) H(sHNCO) = 193.246871359681 * ( T * ((3.63096317e+00_pr) & + T *((0.003651411785_pr) & + T *((-7.60166676666667e-07_pr) & + T *((-1.653178245e-10_pr) & + T *((7.24471504e-14_pr)))))) + (-1.55873636e+04_pr)) Cp(sHNCO) = 193.246871359681 * ((3.63096317e+00_pr) & + T *((7.30282357e-03_pr) & + T *((-2.28050003e-06_pr) & + T *((-6.61271298e-10_pr) & + T *(3.62235752e-13_pr))))) dH(sHNCO) = 193.246871359681 * ( (3.63096317e+00_pr) & + T *((7.30282357e-03_pr) & + T *((-2.28050003e-06_pr) & + T *((-6.61271298e-10_pr) & + T *((3.62235752e-13_pr))))) ) H(sHOCN) = 193.246871359681 * ( T * ((3.78604952e+00_pr) & + T *((0.00344333961_pr) & + T *((-1.07162621333333e-06_pr) & + T *((1.2929894175e-10_pr) & + T *((2.38721576e-15_pr)))))) + (-2.82698400e+03_pr)) Cp(sHOCN) = 193.246871359681 * ((3.78604952e+00_pr) & + T *((6.88667922e-03_pr) & + T *((-3.21487864e-06_pr) & + T *((5.17195767e-10_pr) & + T *(1.19360788e-14_pr))))) dH(sHOCN) = 193.246871359681 * ( (3.78604952e+00_pr) & + T *((6.88667922e-03_pr) & + T *((-3.21487864e-06_pr) & + T *((5.17195767e-10_pr) & + T *((1.19360788e-14_pr))))) ) H(sNNH) = 286.493979274619 * ( T * ((4.34469270e+00_pr) & + T *((-0.0024248536_pr) & + T *((6.68648633333333e-06_pr) & + T *((-5.431616e-09_pr) & + T *((1.58939078e-12_pr)))))) + (2.87919730e+04_pr)) Cp(sNNH) = 286.493979274619 * ((4.34469270e+00_pr) & + T *((-4.84970720e-03_pr) & + T *((2.00594590e-05_pr) & + T *((-2.17264640e-08_pr) & + T *(7.94695390e-12_pr))))) dH(sNNH) = 286.493979274619 * ( (4.34469270e+00_pr) & + T *((-4.84970720e-03_pr) & + T *((2.00594590e-05_pr) & + T *((-2.17264640e-08_pr) & + T *((7.94695390e-12_pr))))) ) end if end subroutine compute_thermodata ! --- Thirdbodies --- ! subroutine get_thirdbodies(M,c) implicit none real(pr), dimension(nspec) :: c real(pr), dimension(31) :: M M(mM26) = (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (1_pr)*c(sCH4) & + (-1_pr)*c(sH2O) & + sum(c) M(mM37) = sum(c) M(mM5) = (2_pr)*c(sC2H6) & + (1_pr)*c(sCH4) & + (-1_pr)*c(sH2) & + (-1_pr)*c(sCO2) & + (-1_pr)*c(sH2O) & + sum(c) M(mM24) = (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + sum(c) M(mM17) = (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + sum(c) M(mM4) = (0.5_pr)*c(sCO2) & + (-0.25_pr)*c(sCO) & + (0.5_pr)*c(sC2H6) & + (-1_pr)*c(sH2O) & + (-1_pr)*c(sN2) & + (-1_pr)*c(sO2) & + sum(c) M(mM29) = (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + sum(c) M(mM36) = (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + sum(c) M(mM31) = (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + sum(c) M(mM18) = (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + sum(c) M(mM19) = (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + sum(c) M(mM8) = (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + sum(c) M(mM1) = (1.4_pr)*c(sH2) & + (2.6_pr)*c(sCO2) & + (0.75_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (14.4_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + sum(c) M(mM6) = (-0.27_pr)*c(sH2) & + (2_pr)*c(sC2H6) & + (2.65_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + sum(c) M(mM38) = sum(c) M(mM3) = (1_pr)*c(sH2) & + (2.5_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (5_pr)*c(sH2O) & + (5_pr)*c(sO2) & + (1_pr)*c(sCH4) & + sum(c) M(mM16) = (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + sum(c) M(mM22) = (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + sum(c) M(mM32) = (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + sum(c) M(mM15) = (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + sum(c) M(mM11) = (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + sum(c) M(mM7) = (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + sum(c) M(mM25) = (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + sum(c) M(mM30) = (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + sum(c) M(mM27) = (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + sum(c) M(mM13) = (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + sum(c) M(mM20) = (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + sum(c) M(mM28) = (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + sum(c) M(mM9) = (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + sum(c) M(mM21) = (1_pr)*c(sH2) & + (1_pr)*c(sCO2) & + (0.5_pr)*c(sCO) & + (2_pr)*c(sC2H6) & + (5_pr)*c(sH2O) & + (1_pr)*c(sCH4) & + sum(c) end subroutine get_thirdbodies ! --- Rate coefficients --- ! subroutine get_rate_coefficients(k,M,Tloc,Ploc) implicit none real(pr), dimension(nreac) :: k real(pr), dimension(31) :: M real(pr) :: Tloc,Ploc real(pr) :: k8f_0, k8f_inf, FC8f real(pr) :: k41_0, k41_inf, FC41 real(pr) :: k49f_0, k49f_inf, FC49f real(pr) :: k60f_0, k60f_inf, FC60f real(pr) :: k63f_0, k63f_inf, FC63f real(pr) :: k66f_0, k66f_inf, FC66f real(pr) :: k75f_0, k75f_inf, FC75f real(pr) :: k93f_0, k93f_inf, FC93f real(pr) :: k94_0, k94_inf, FC94 real(pr) :: k96_0, k96_inf, FC96 real(pr) :: k98_0, k98_inf, FC98 real(pr) :: k113f_0, k113f_inf, FC113f real(pr) :: k116_0, k116_inf, FC116 real(pr) :: k122_0, k122_inf, FC122 real(pr) :: k124f_0, k124f_inf, FC124f real(pr) :: k127_0, k127_inf, FC127 real(pr) :: knog212f_0, knog212f_inf, FCnog212f real(pr) :: k8b_0, k8b_inf, FC8b real(pr) :: k49b_0, k49b_inf, FC49b real(pr) :: k60b_0, k60b_inf, FC60b real(pr) :: k63b_0, k63b_inf, FC63b real(pr) :: k66b_0, k66b_inf, FC66b real(pr) :: k75b_0, k75b_inf, FC75b real(pr) :: k93b_0, k93b_inf, FC93b real(pr) :: k113b_0, k113b_inf, FC113b real(pr) :: k124b_0, k124b_inf, FC124b real(pr) :: knog212b_0, knog212b_inf, FCnog212b ! Rate coefficients k(r1) = (9.00000000e+04_pr)*Tloc**(-0.600_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r2) = (1.00000000e+06_pr)*Tloc**(-1.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r3) = (1.20000000e+05_pr)*Tloc**(-1.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r4f) = (5.00000000e-02_pr)*Tloc**(2.670_pr)*& exp(-(2.632e+04_pr)/(8.314_pr*Tloc)) k(r5f) = (2.20000000e+10_pr)*Tloc**(-2.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r6f) = (3.57000000e-02_pr)*Tloc**(2.400_pr)*& exp(-(-8.829e+03_pr)/(8.314_pr*Tloc)) k(r7f) = (2.16000000e+02_pr)*Tloc**(1.510_pr)*& exp(-(1.435e+04_pr)/(8.314_pr*Tloc)) k8f_0 = (2.30000000e+06_pr)*Tloc**(-0.900_pr)*& exp(-(-7.113e+03_pr)/(8.314_pr*Tloc)) k8f_inf = (7.40000000e+07_pr)*Tloc**(-0.370_pr)* & exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) FC8f = (2.654e-01_pr)* & exp(-Tloc/(9.400e+01_pr)) + (7.346e-01_pr)* & exp(-Tloc/(1.756e+03_pr)) + (1.000e+00_pr)* & exp(-(5.182e+03_pr)/Tloc) k(r8f) = & getlindratecoeff & (Tloc, k8f_0, k8f_inf, FC8f, M(mM20), Ploc ) k(r9) = (6.00000000e+07_pr)*Tloc**(-1.250_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r10f) = (2.80000000e+06_pr)*Tloc**(-0.860_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r11f) = (9.38000000e+06_pr)*Tloc**(-0.760_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r12f) = (3.00000000e+08_pr)*Tloc**(-1.720_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r13f) = (8.30000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(6.031e+04_pr)/(8.314_pr*Tloc)) k(r14f) = (2.90000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(-2.092e+03_pr)/(8.314_pr*Tloc)) k(r15) = (3.97000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(2.808e+03_pr)/(8.314_pr*Tloc)) k(r16f) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r17) = (1.30000000e+05_pr)*Tloc**(0.000_pr)*& exp(-(-6.821e+03_pr)/(8.314_pr*Tloc)) k(r18) = (4.20000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(5.021e+04_pr)/(8.314_pr*Tloc)) k(r19f) = (2.80000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(4.469e+03_pr)/(8.314_pr*Tloc)) k(r20f) = (1.34000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(2.657e+03_pr)/(8.314_pr*Tloc)) k(r21f) = (5.80000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(4.000e+04_pr)/(8.314_pr*Tloc)) k(r22) = (1.75000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(1.339e+03_pr)/(8.314_pr*Tloc)) k(r23) = (9.63000000e+00_pr)*Tloc**(2.000_pr)*& exp(-(1.674e+04_pr)/(8.314_pr*Tloc)) k(r24f) = (1.21000000e+01_pr)*Tloc**(2.000_pr)*& exp(-(2.176e+04_pr)/(8.314_pr*Tloc)) k(r25) = (1.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.506e+04_pr)/(8.314_pr*Tloc)) k(r26) = (5.80000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(2.410e+03_pr)/(8.314_pr*Tloc)) k(r27) = (5.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r28f) = (1.10700000e+02_pr)*Tloc**(1.790_pr)*& exp(-(6.988e+03_pr)/(8.314_pr*Tloc)) k(r29) = (5.70000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r30f) = (1.10000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r31) = (3.30000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r32) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r33) = (1.71300000e+07_pr)*Tloc**(0.000_pr)*& exp(-(-3.159e+03_pr)/(8.314_pr*Tloc)) k(r36) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r37) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r38) = (8.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r39f) = (1.13000000e+01_pr)*Tloc**(2.000_pr)*& exp(-(1.255e+04_pr)/(8.314_pr*Tloc)) k(r40f) = (5.00000000e-01_pr)*Tloc**(2.000_pr)*& exp(-(3.025e+04_pr)/(8.314_pr*Tloc)) k41_0 = (3.20000000e+15_pr)*Tloc**(-3.140_pr)*& exp(-(5.147e+03_pr)/(8.314_pr*Tloc)) k41_inf = (2.50000000e+10_pr)*Tloc**(-0.800_pr)* & exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) FC41 = (3.200e-01_pr)* & exp(-Tloc/(7.800e+01_pr)) + (6.800e-01_pr)* & exp(-Tloc/(1.995e+03_pr)) + (1.000e+00_pr)* & exp(-(5.590e+03_pr)/Tloc) k(r41) = & getlindratecoeff & (Tloc, k41_0, k41_inf, FC41, M(mM7), Ploc ) k(r42) = (1.32000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(6.277e+03_pr)/(8.314_pr*Tloc)) k(r43f) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r44) = (1.20000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r45) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r46f) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r47) = (1.50000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r48) = (1.50000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k49f_0 = (2.70000000e+26_pr)*Tloc**(-6.300_pr)*& exp(-(1.297e+04_pr)/(8.314_pr*Tloc)) k49f_inf = (2.00000000e+07_pr)*Tloc**(0.000_pr)* & exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) FC49f = (8.493e-01_pr)* & exp(-Tloc/(1.340e+02_pr)) + (1.507e-01_pr)* & exp(-Tloc/(2.383e+03_pr)) + (1.000e+00_pr)* & exp(-(7.265e+03_pr)/Tloc) k(r49f) = & getlindratecoeff & (Tloc, k49f_0, k49f_inf, FC49f, M(mM24), Ploc ) k(r50) = (2.80000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r51f) = (7.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r52) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r53) = (5.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r54f) = (4.99000000e+06_pr)*Tloc**(0.100_pr)*& exp(-(4.436e+04_pr)/(8.314_pr*Tloc)) k(r55f) = (2.50100000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r56f) = (2.45000000e-02_pr)*Tloc**(2.470_pr)*& exp(-(2.168e+04_pr)/(8.314_pr*Tloc)) k(r57) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r58f) = (5.60000000e+01_pr)*Tloc**(1.600_pr)*& exp(-(2.268e+04_pr)/(8.314_pr*Tloc)) k(r59) = (8.43000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k60f_0 = (1.77000000e+38_pr)*Tloc**(-9.670_pr)*& exp(-(2.603e+04_pr)/(8.314_pr*Tloc)) k60f_inf = (2.12000000e+10_pr)*Tloc**(-0.970_pr)* & exp(-(2.594e+03_pr)/(8.314_pr*Tloc)) FC60f = (4.675e-01_pr)* & exp(-Tloc/(1.510e+02_pr)) + (5.325e-01_pr)* & exp(-Tloc/(1.038e+03_pr)) + (1.000e+00_pr)* & exp(-(4.970e+03_pr)/Tloc) k(r60f) = & getlindratecoeff & (Tloc, k60f_0, k60f_inf, FC60f, M(mM25), Ploc ) k(r61f) = (2.67500000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.205e+05_pr)/(8.314_pr*Tloc)) k(r62) = (3.60000000e+04_pr)*Tloc**(0.000_pr)*& exp(-(3.741e+04_pr)/(8.314_pr*Tloc)) k63f_0 = (2.47700000e+21_pr)*Tloc**(-4.760_pr)*& exp(-(1.021e+04_pr)/(8.314_pr*Tloc)) k63f_inf = (1.27000000e+10_pr)*Tloc**(-0.630_pr)* & exp(-(1.603e+03_pr)/(8.314_pr*Tloc)) FC63f = (2.170e-01_pr)* & exp(-Tloc/(7.400e+01_pr)) + (7.830e-01_pr)* & exp(-Tloc/(2.941e+03_pr)) + (1.000e+00_pr)* & exp(-(6.964e+03_pr)/Tloc) k(r63f) = & getlindratecoeff & (Tloc, k63f_0, k63f_inf, FC63f, M(mM8), Ploc ) k(r64) = (4.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r65) = (1.20000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(-2.385e+03_pr)/(8.314_pr*Tloc)) k66f_0 = (2.70000000e+26_pr)*Tloc**(-6.300_pr)*& exp(-(1.297e+04_pr)/(8.314_pr*Tloc)) k66f_inf = (6.30000000e+07_pr)*Tloc**(0.000_pr)* & exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) FC66f = (7.895e-01_pr)* & exp(-Tloc/(8.350e+01_pr)) + (2.105e-01_pr)* & exp(-Tloc/(5.398e+03_pr)) + (1.000e+00_pr)* & exp(-(8.370e+03_pr)/Tloc) k(r66f) = & getlindratecoeff & (Tloc, k66f_0, k66f_inf, FC66f, M(mM21), Ploc ) k(r67) = (1.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r68) = (6.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r69f) = (2.46000000e+00_pr)*Tloc**(2.000_pr)*& exp(-(3.460e+04_pr)/(8.314_pr*Tloc)) k(r70f) = (6.60000000e+02_pr)*Tloc**(1.620_pr)*& exp(-(4.536e+04_pr)/(8.314_pr*Tloc)) k(r71f) = (1.00000000e+02_pr)*Tloc**(1.600_pr)*& exp(-(1.306e+04_pr)/(8.314_pr*Tloc)) k(r72f) = (1.02000000e+03_pr)*Tloc**(1.500_pr)*& exp(-(3.599e+04_pr)/(8.314_pr*Tloc)) k(r73f) = (1.60000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(-2.385e+03_pr)/(8.314_pr*Tloc)) k(r74) = (1.50000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(9.875e+04_pr)/(8.314_pr*Tloc)) k75f_0 = (2.69000000e+16_pr)*Tloc**(-3.740_pr)*& exp(-(8.101e+03_pr)/(8.314_pr*Tloc)) k75f_inf = (5.00000000e+07_pr)*Tloc**(0.000_pr)* & exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) FC75f = (4.243e-01_pr)* & exp(-Tloc/(2.370e+02_pr)) + (5.757e-01_pr)* & exp(-Tloc/(1.652e+03_pr)) + (1.000e+00_pr)* & exp(-(5.069e+03_pr)/Tloc) k(r75f) = & getlindratecoeff & (Tloc, k75f_0, k75f_inf, FC75f, M(mM22), Ploc ) k(r76f) = (4.76000000e+01_pr)*Tloc**(1.228_pr)*& exp(-(2.930e+02_pr)/(8.314_pr*Tloc)) k(r77f) = (2.50000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(2.000e+05_pr)/(8.314_pr*Tloc)) k(r78) = (6.02000000e+02_pr)*Tloc**(0.000_pr)*& exp(-(1.255e+04_pr)/(8.314_pr*Tloc)) k(r79f) = (9.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r80) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r81) = (7.34000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r82) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r83f) = (1.87000000e+11_pr)*Tloc**(-1.000_pr)*& exp(-(7.114e+04_pr)/(8.314_pr*Tloc)) k(r84) = (5.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r85f) = (2.24400000e+12_pr)*Tloc**(-1.000_pr)*& exp(-(7.114e+04_pr)/(8.314_pr*Tloc)) k(r86) = (7.60000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(1.674e+03_pr)/(8.314_pr*Tloc)) k(r87) = (2.64800000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r88) = (1.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(3.348e+04_pr)/(8.314_pr*Tloc)) k(r89) = (3.43000000e+03_pr)*Tloc**(1.180_pr)*& exp(-(-1.870e+03_pr)/(8.314_pr*Tloc)) k(r90f) = (1.00000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(1.674e+05_pr)/(8.314_pr*Tloc)) k(r91f) = (2.30000000e+04_pr)*Tloc**(1.050_pr)*& exp(-(1.370e+04_pr)/(8.314_pr*Tloc)) k(r92) = (3.90000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.481e+04_pr)/(8.314_pr*Tloc)) k93f_0 = (2.20000000e+18_pr)*Tloc**(-4.800_pr)*& exp(-(2.326e+04_pr)/(8.314_pr*Tloc)) k93f_inf = (5.40000000e+05_pr)*Tloc**(0.454_pr)* & exp(-(1.088e+04_pr)/(8.314_pr*Tloc)) FC93f = (2.420e-01_pr)* & exp(-Tloc/(9.400e+01_pr)) + (7.580e-01_pr)* & exp(-Tloc/(1.555e+03_pr)) + (1.000e+00_pr)* & exp(-(4.200e+03_pr)/Tloc) k(r93f) = & getlindratecoeff & (Tloc, k93f_0, k93f_inf, FC93f, M(mM11), Ploc ) k94_0 = (1.89500000e+20_pr)*Tloc**(-2.669_pr)*& exp(-(3.756e+05_pr)/(8.314_pr*Tloc)) k94_inf = (1.53000000e+14_pr)*Tloc**(0.381_pr)* & exp(-(3.685e+05_pr)/(8.314_pr*Tloc)) FC94 = (2.176e-01_pr)* & exp(-Tloc/(2.710e+02_pr)) + (7.824e-01_pr)* & exp(-Tloc/(2.755e+03_pr)) + (1.000e+00_pr)* & exp(-(6.570e+03_pr)/Tloc) k(r94) = & getlindratecoeff & (Tloc, k94_0, k94_inf, FC94, M(mM9), Ploc ) k(r95) = (3.32000000e-03_pr)*Tloc**(2.810_pr)*& exp(-(2.452e+04_pr)/(8.314_pr*Tloc)) k96_0 = (1.61200000e+25_pr)*Tloc**(-4.102_pr)*& exp(-(3.552e+05_pr)/(8.314_pr*Tloc)) k96_inf = (1.36800000e+11_pr)*Tloc**(0.818_pr)* & exp(-(3.354e+05_pr)/(8.314_pr*Tloc)) FC96 = (6.800e-02_pr)* & exp(-Tloc/(1.970e+02_pr)) + (9.320e-01_pr)* & exp(-Tloc/(1.540e+03_pr)) + (1.000e+00_pr)* & exp(-(1.030e+04_pr)/Tloc) k(r96) = & getlindratecoeff & (Tloc, k96_0, k96_inf, FC96, M(mM19), Ploc ) k(r97) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k98_0 = (8.60000000e+16_pr)*Tloc**(-4.000_pr)*& exp(-(1.266e+04_pr)/(8.314_pr*Tloc)) k98_inf = (5.00000000e+07_pr)*Tloc**(0.000_pr)* & exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) FC98 = (1.098e-01_pr)* & exp(-Tloc/(1.440e+02_pr)) + (8.902e-01_pr)* & exp(-Tloc/(2.838e+03_pr)) + (1.000e+00_pr)* & exp(-(4.557e+04_pr)/Tloc) k(r98) = & getlindratecoeff & (Tloc, k98_0, k98_inf, FC98, M(mM13), Ploc ) k(r99) = (5.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r100f) = (1.60000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r101) = (4.28000000e-19_pr)*Tloc**(7.600_pr)*& exp(-(-1.477e+04_pr)/(8.314_pr*Tloc)) k(r102f) = (3.20000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r103) = (1.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r104) = (1.30000000e-01_pr)*Tloc**(2.500_pr)*& exp(-(2.092e+04_pr)/(8.314_pr*Tloc)) k(r105f) = (4.20000000e+00_pr)*Tloc**(2.100_pr)*& exp(-(2.038e+04_pr)/(8.314_pr*Tloc)) k(r106f) = (6.30000000e+00_pr)*Tloc**(2.000_pr)*& exp(-(6.277e+03_pr)/(8.314_pr*Tloc)) k(r107f) = (1.00000000e+01_pr)*Tloc**(1.500_pr)*& exp(-(4.159e+04_pr)/(8.314_pr*Tloc)) k(r108f) = (7.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r109) = (3.40000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(2.887e+03_pr)/(8.314_pr*Tloc)) k(r110) = (1.40000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r111) = (4.83000000e-10_pr)*Tloc**(4.000_pr)*& exp(-(-8.369e+03_pr)/(8.314_pr*Tloc)) k(r112f) = (1.02000000e+01_pr)*Tloc**(2.000_pr)*& exp(-(7.950e+03_pr)/(8.314_pr*Tloc)) k113f_0 = (3.80000000e+28_pr)*Tloc**(-7.270_pr)*& exp(-(3.021e+04_pr)/(8.314_pr*Tloc)) k113f_inf = (5.60000000e+06_pr)*Tloc**(0.000_pr)* & exp(-(1.004e+04_pr)/(8.314_pr*Tloc)) FC113f = (2.493e-01_pr)* & exp(-Tloc/(9.850e+01_pr)) + (7.507e-01_pr)* & exp(-Tloc/(1.302e+03_pr)) + (1.000e+00_pr)* & exp(-(4.167e+03_pr)/Tloc) k(r113f) = & getlindratecoeff & (Tloc, k113f_0, k113f_inf, FC113f, M(mM15), Ploc ) k(r114) = (1.02000000e+01_pr)*Tloc**(2.000_pr)*& exp(-(7.950e+03_pr)/(8.314_pr*Tloc)) k(r115) = (3.98000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(-1.004e+03_pr)/(8.314_pr*Tloc)) k116_0 = (1.40000000e+18_pr)*Tloc**(-3.860_pr)*& exp(-(1.389e+04_pr)/(8.314_pr*Tloc)) k116_inf = (6.08000000e+06_pr)*Tloc**(0.270_pr)* & exp(-(1.172e+03_pr)/(8.314_pr*Tloc)) FC116 = (2.180e-01_pr)* & exp(-Tloc/(2.075e+02_pr)) + (7.820e-01_pr)* & exp(-Tloc/(2.663e+03_pr)) + (1.000e+00_pr)* & exp(-(6.095e+03_pr)/Tloc) k(r116) = & getlindratecoeff & (Tloc, k116_0, k116_inf, FC116, M(mM16), Ploc ) k(r117) = (5.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r118) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r119f) = (1.32500000e+00_pr)*Tloc**(2.530_pr)*& exp(-(5.122e+04_pr)/(8.314_pr*Tloc)) k(r120f) = (2.27000000e-01_pr)*Tloc**(2.000_pr)*& exp(-(3.850e+04_pr)/(8.314_pr*Tloc)) k(r121f) = (3.60000000e+00_pr)*Tloc**(2.000_pr)*& exp(-(1.046e+04_pr)/(8.314_pr*Tloc)) k122_0 = (7.00000000e+44_pr)*Tloc**(-9.310_pr)*& exp(-(4.179e+05_pr)/(8.314_pr*Tloc)) k122_inf = (8.00000000e+12_pr)*Tloc**(0.440_pr)* & exp(-(3.714e+05_pr)/(8.314_pr*Tloc)) FC122 = (2.655e-01_pr)* & exp(-Tloc/(1.800e+02_pr)) + (7.345e-01_pr)* & exp(-Tloc/(1.035e+03_pr)) + (1.000e+00_pr)* & exp(-(5.417e+03_pr)/Tloc) k(r122) = & getlindratecoeff & (Tloc, k122_0, k122_inf, FC122, M(mM27), Ploc ) k(r123) = (1.92000000e+01_pr)*Tloc**(1.830_pr)*& exp(-(9.210e+02_pr)/(8.314_pr*Tloc)) k124f_0 = (1.20000000e+30_pr)*Tloc**(-7.620_pr)*& exp(-(2.916e+04_pr)/(8.314_pr*Tloc)) k124f_inf = (1.08000000e+06_pr)*Tloc**(0.454_pr)* & exp(-(7.616e+03_pr)/(8.314_pr*Tloc)) FC124f = (2.470e-02_pr)* & exp(-Tloc/(2.100e+02_pr)) + (9.753e-01_pr)* & exp(-Tloc/(9.840e+02_pr)) + (1.000e+00_pr)* & exp(-(4.374e+03_pr)/Tloc) k(r124f) = & getlindratecoeff & (Tloc, k124f_0, k124f_inf, FC124f, M(mM17), Ploc ) k(r125f) = (8.40000000e+05_pr)*Tloc**(0.000_pr)*& exp(-(1.622e+04_pr)/(8.314_pr*Tloc)) k(r126) = (2.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k127_0 = (1.99000000e+29_pr)*Tloc**(-7.080_pr)*& exp(-(2.797e+04_pr)/(8.314_pr*Tloc)) k127_inf = (5.21000000e+11_pr)*Tloc**(-0.990_pr)* & exp(-(6.611e+03_pr)/(8.314_pr*Tloc)) FC127 = (1.578e-01_pr)* & exp(-Tloc/(1.250e+02_pr)) + (8.422e-01_pr)* & exp(-Tloc/(2.219e+03_pr)) + (1.000e+00_pr)* & exp(-(6.882e+03_pr)/Tloc) k(r127) = & getlindratecoeff & (Tloc, k127_0, k127_inf, FC127, M(mM18), Ploc ) k(r128) = (1.32000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r129f) = (3.54000000e+00_pr)*Tloc**(2.120_pr)*& exp(-(3.640e+03_pr)/(8.314_pr*Tloc)) k(r130) = (8.98000000e+01_pr)*Tloc**(1.920_pr)*& exp(-(2.381e+04_pr)/(8.314_pr*Tloc)) k(r131f) = (1.15000000e+02_pr)*Tloc**(1.900_pr)*& exp(-(3.151e+04_pr)/(8.314_pr*Tloc)) k(r132f) = (6.14000000e+00_pr)*Tloc**(1.740_pr)*& exp(-(4.373e+04_pr)/(8.314_pr*Tloc)) k(r133) = (4.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(-2.301e+03_pr)/(8.314_pr*Tloc)) k(r134f) = (1.00000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(r135) = (1.60000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(3.573e+03_pr)/(8.314_pr*Tloc)) k(r138) = (1.00000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog139f) = (2.65000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(2.678e+04_pr)/(8.314_pr*Tloc)) k(rnog140f) = (7.33300000e+07_pr)*Tloc**(0.000_pr)*& exp(-(4.687e+03_pr)/(8.314_pr*Tloc)) k(rnog141) = (3.70000000e+06_pr)*Tloc**(0.150_pr)*& exp(-(-3.770e+02_pr)/(8.314_pr*Tloc)) k(rnog142f) = (2.00000000e+03_pr)*Tloc**(1.200_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog143f) = (3.20000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.381e+03_pr)/(8.314_pr*Tloc)) k(rnog144f) = (5.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog145f) = (4.61000000e-01_pr)*Tloc**(2.000_pr)*& exp(-(2.720e+04_pr)/(8.314_pr*Tloc)) k(rnog146f) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(5.795e+04_pr)/(8.314_pr*Tloc)) k(rnog147f) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog148) = (1.28000000e+00_pr)*Tloc**(1.500_pr)*& exp(-(4.180e+02_pr)/(8.314_pr*Tloc)) k(rnog149f) = (4.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.527e+04_pr)/(8.314_pr*Tloc)) k(rnog150f) = (7.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog151f) = (9.00000000e+01_pr)*Tloc**(1.500_pr)*& exp(-(-1.925e+03_pr)/(8.314_pr*Tloc)) k(rnog152f) = (4.60000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog153) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog154) = (2.90000000e+08_pr)*Tloc**(-0.690_pr)*& exp(-(3.180e+03_pr)/(8.314_pr*Tloc)) k(rnog155f) = (2.35000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog156) = (2.90000000e+08_pr)*Tloc**(-0.690_pr)*& exp(-(3.180e+03_pr)/(8.314_pr*Tloc)) k(rnog157f) = (2.11000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(-2.009e+03_pr)/(8.314_pr*Tloc)) k(rnog158f) = (4.16000000e+08_pr)*Tloc**(-0.450_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog159) = (5.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog160) = (3.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog161f) = (3.80000000e+07_pr)*Tloc**(-0.360_pr)*& exp(-(2.427e+03_pr)/(8.314_pr*Tloc)) k(rnog162f) = (3.50000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.381e+03_pr)/(8.314_pr*Tloc)) k(rnog163f) = (1.06000000e+08_pr)*Tloc**(-1.410_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog164f) = (8.95000000e+07_pr)*Tloc**(-1.320_pr)*& exp(-(3.096e+03_pr)/(8.314_pr*Tloc)) k(rnog165) = (2.90000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog166) = (3.10000000e+11_pr)*Tloc**(-1.380_pr)*& exp(-(5.314e+03_pr)/(8.314_pr*Tloc)) k(rnog167f) = (3.80000000e+07_pr)*Tloc**(-0.360_pr)*& exp(-(2.427e+03_pr)/(8.314_pr*Tloc)) k(rnog168) = (9.60000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(1.205e+05_pr)/(8.314_pr*Tloc)) k(rnog169) = (3.10000000e+11_pr)*Tloc**(-1.380_pr)*& exp(-(5.314e+03_pr)/(8.314_pr*Tloc)) k(rnog170f) = (2.16000000e+07_pr)*Tloc**(-0.230_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog171f) = (4.50000000e+05_pr)*Tloc**(0.720_pr)*& exp(-(2.762e+03_pr)/(8.314_pr*Tloc)) k(rnog172f) = (1.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(5.440e+04_pr)/(8.314_pr*Tloc)) k(rnog173f) = (2.50000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog174f) = (1.30000000e+01_pr)*Tloc**(1.900_pr)*& exp(-(-3.975e+03_pr)/(8.314_pr*Tloc)) k(rnog175f) = (1.32000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(1.506e+03_pr)/(8.314_pr*Tloc)) k(rnog176f) = (3.90000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(-1.004e+03_pr)/(8.314_pr*Tloc)) k(rnog177) = (1.60000000e-04_pr)*Tloc**(2.560_pr)*& exp(-(3.766e+04_pr)/(8.314_pr*Tloc)) k(rnog178f) = (1.10700000e-02_pr)*Tloc**(2.640_pr)*& exp(-(2.084e+04_pr)/(8.314_pr*Tloc)) k(rnog179) = (4.40000000e-03_pr)*Tloc**(2.260_pr)*& exp(-(2.678e+04_pr)/(8.314_pr*Tloc)) k(rnog180f) = (1.10000000e+00_pr)*Tloc**(2.030_pr)*& exp(-(5.595e+04_pr)/(8.314_pr*Tloc)) k(rnog181) = (2.76700000e-03_pr)*Tloc**(2.640_pr)*& exp(-(2.084e+04_pr)/(8.314_pr*Tloc)) k(rnog182) = (2.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(8.369e+04_pr)/(8.314_pr*Tloc)) k(rnog183f) = (8.80000000e+10_pr)*Tloc**(-0.500_pr)*& exp(-(2.009e+05_pr)/(8.314_pr*Tloc)) k(rnog184) = (2.35000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog185) = (2.85000000e+11_pr)*Tloc**(-1.520_pr)*& exp(-(3.096e+03_pr)/(8.314_pr*Tloc)) k(rnog186f) = (5.40000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog187) = (2.50000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog188) = (5.70000000e+12_pr)*Tloc**(-2.000_pr)*& exp(-(3.348e+03_pr)/(8.314_pr*Tloc)) k(rnog189f) = (1.55000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(2.866e+04_pr)/(8.314_pr*Tloc)) k(rnog190) = (9.80000000e+01_pr)*Tloc**(1.410_pr)*& exp(-(3.557e+04_pr)/(8.314_pr*Tloc)) k(rnog191f) = (4.65000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(2.866e+04_pr)/(8.314_pr*Tloc)) k(rnog192f) = (1.18000000e+10_pr)*Tloc**(0.000_pr)*& exp(-(3.545e+05_pr)/(8.314_pr*Tloc)) k(rnog193f) = (2.20000000e+00_pr)*Tloc**(2.110_pr)*& exp(-(4.770e+04_pr)/(8.314_pr*Tloc)) k(rnog194f) = (1.05000000e-01_pr)*Tloc**(2.500_pr)*& exp(-(5.565e+04_pr)/(8.314_pr*Tloc)) k(rnog195f) = (2.25000000e+01_pr)*Tloc**(1.700_pr)*& exp(-(1.590e+04_pr)/(8.314_pr*Tloc)) k(rnog196) = (1.70000000e+08_pr)*Tloc**(-0.750_pr)*& exp(-(1.209e+04_pr)/(8.314_pr*Tloc)) k(rnog197) = (2.70000000e+05_pr)*Tloc**(0.180_pr)*& exp(-(8.871e+03_pr)/(8.314_pr*Tloc)) k(rnog198) = (2.10000000e+09_pr)*Tloc**(-0.690_pr)*& exp(-(1.193e+04_pr)/(8.314_pr*Tloc)) k(rnog199) = (2.00000000e+01_pr)*Tloc**(2.000_pr)*& exp(-(8.369e+03_pr)/(8.314_pr*Tloc)) k(rnog200) = (2.85700000e+02_pr)*Tloc**(1.100_pr)*& exp(-(8.536e+04_pr)/(8.314_pr*Tloc)) k(r201f) = (1.50000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(2.511e+03_pr)/(8.314_pr*Tloc)) k(r202f) = (3.75000000e+08_pr)*Tloc**(-1.720_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog203f) = (5.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog204f) = (3.30000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog205) = (2.50000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog206) = (5.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog207f) = (7.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog208f) = (2.00000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(0.000e+00_pr)/(8.314_pr*Tloc)) k(rnog209f) = (1.30000000e+08_pr)*Tloc**(-0.110_pr)*& exp(-(2.084e+04_pr)/(8.314_pr*Tloc)) k(rnog210f) = (2.00000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(8.812e+04_pr)/(8.314_pr*Tloc)) k(rnog211f) = (1.40000000e+06_pr)*Tloc**(0.000_pr)*& exp(-(4.523e+04_pr)/(8.314_pr*Tloc)) knog212f_0 = (6.20000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(2.347e+05_pr)/(8.314_pr*Tloc)) knog212f_inf = (1.30000000e+11_pr)*Tloc**(0.000_pr)* & exp(-(2.495e+05_pr)/(8.314_pr*Tloc)) FCnog212f = + (1.000e+00_pr)* & exp(-(0.000e+00_pr)/Tloc) k(rnog212f) = & getlindratecoeff & (Tloc, knog212f_0, knog212f_inf, FCnog212f, M(mM28), Ploc ) k(rnog213) = (2.90000000e+07_pr)*Tloc**(0.000_pr)*& exp(-(9.687e+04_pr)/(8.314_pr*Tloc)) k(rnog214f) = (4.40000000e+08_pr)*Tloc**(0.000_pr)*& exp(-(7.900e+04_pr)/(8.314_pr*Tloc)) k(r4b) = (3.02990191e-02_pr)*Tloc**(2.63_pr)*& exp(-(1.8444e+04_pr)/(8.314_pr*Tloc)) k(r5b) = (7.45896518e+16_pr)*Tloc**(-1.79_pr)*& exp(-(4.9813e+05_pr)/(8.314_pr*Tloc)) k(r6b) = (7.39481447e-01_pr)*Tloc**(2.32_pr)*& exp(-(6.3971e+04_pr)/(8.314_pr*Tloc)) k(r7b) = (2.71126135e+03_pr)*Tloc**(1.39_pr)*& exp(-(7.9275e+04_pr)/(8.314_pr*Tloc)) k8b_0 = (1.00720262e+18_pr)*Tloc**(-1.95_pr)*& exp(-(2.1134e+05_pr)/(8.314_pr*Tloc)) k8b_inf = (3.24056494e+19_pr)*Tloc**(-1.42_pr)* & exp(-(2.1845e+05_pr)/(8.314_pr*Tloc)) FC8b = (2.654e-01_pr)* & exp(-Tloc/(9.400e+01_pr)) + (7.346e-01_pr)* & exp(-Tloc/(1.756e+03_pr)) + (1.000e+00_pr)* & exp(-(5.182e+03_pr)/Tloc) k(r8b) = & getlindratecoeff & (Tloc, k8b_0, k8b_inf, FC8b, M(mM20), Ploc ) k(r10b) = (4.99294622e+12_pr)*Tloc**(-0.90_pr)*& exp(-(2.0482e+05_pr)/(8.314_pr*Tloc)) k(r11b) = (1.67263698e+13_pr)*Tloc**(-0.80_pr)*& exp(-(2.0482e+05_pr)/(8.314_pr*Tloc)) k(r12b) = (5.34958523e+14_pr)*Tloc**(-1.76_pr)*& exp(-(2.0482e+05_pr)/(8.314_pr*Tloc)) k(r13b) = (1.68492725e+05_pr)*Tloc**(0.43_pr)*& exp(-(-1.2281e+04_pr)/(8.314_pr*Tloc)) k(r14b) = (5.51385118e+07_pr)*Tloc**(0.25_pr)*& exp(-(2.9122e+05_pr)/(8.314_pr*Tloc)) k(r16b) = (1.83581102e+06_pr)*Tloc**(0.33_pr)*& exp(-(2.2051e+05_pr)/(8.314_pr*Tloc)) k(r19b) = (4.24128486e+06_pr)*Tloc**(0.37_pr)*& exp(-(2.3285e+05_pr)/(8.314_pr*Tloc)) k(r20b) = (2.49692694e+04_pr)*Tloc**(0.77_pr)*& exp(-(1.5057e+05_pr)/(8.314_pr*Tloc)) k(r21b) = (2.40987128e+07_pr)*Tloc**(0.49_pr)*& exp(-(1.7176e+05_pr)/(8.314_pr*Tloc)) k(r24b) = (4.00528655e-02_pr)*Tloc**(2.61_pr)*& exp(-(8.8594e+04_pr)/(8.314_pr*Tloc)) k(r28b) = (1.74591685e+03_pr)*Tloc**(1.50_pr)*& exp(-(-4.3657e+03_pr)/(8.314_pr*Tloc)) k(r30b) = (5.05555578e+07_pr)*Tloc**(0.25_pr)*& exp(-(9.7325e+04_pr)/(8.314_pr*Tloc)) k(r39b) = (8.99332189e+00_pr)*Tloc**(2.17_pr)*& exp(-(8.8828e+04_pr)/(8.314_pr*Tloc)) k(r40b) = (2.59168353e+02_pr)*Tloc**(1.46_pr)*& exp(-(6.1349e+04_pr)/(8.314_pr*Tloc)) k(r43b) = (1.33512910e+06_pr)*Tloc**(0.23_pr)*& exp(-(4.8634e+04_pr)/(8.314_pr*Tloc)) k(r46b) = (2.10571310e+07_pr)*Tloc**(-0.06_pr)*& exp(-(3.7280e+04_pr)/(8.314_pr*Tloc)) k49b_0 = (3.26343613e+39_pr)*Tloc**(-7.65_pr)*& exp(-(4.0879e+05_pr)/(8.314_pr*Tloc)) k49b_inf = (2.41736010e+20_pr)*Tloc**(-1.35_pr)* & exp(-(3.9582e+05_pr)/(8.314_pr*Tloc)) FC49b = (8.493e-01_pr)* & exp(-Tloc/(1.340e+02_pr)) + (1.507e-01_pr)* & exp(-Tloc/(2.383e+03_pr)) + (1.000e+00_pr)* & exp(-(7.265e+03_pr)/Tloc) k(r49b) = & getlindratecoeff & (Tloc, k49b_0, k49b_inf, FC49b, M(mM24), Ploc ) k(r51b) = (2.54675958e+10_pr)*Tloc**(-0.60_pr)*& exp(-(6.8380e+04_pr)/(8.314_pr*Tloc)) k(r54b) = (8.07196807e+11_pr)*Tloc**(-1.08_pr)*& exp(-(7.5370e+03_pr)/(8.314_pr*Tloc)) k(r55b) = (8.62862141e+05_pr)*Tloc**(0.48_pr)*& exp(-(-3.4551e+03_pr)/(8.314_pr*Tloc)) k(r56b) = (2.13924431e-01_pr)*Tloc**(2.51_pr)*& exp(-(9.7852e+04_pr)/(8.314_pr*Tloc)) k(r58b) = (1.35610617e+00_pr)*Tloc**(2.02_pr)*& exp(-(5.6505e+04_pr)/(8.314_pr*Tloc)) k60b_0 = (4.90122083e+52_pr)*Tloc**(-11.11_pr)*& exp(-(4.1110e+05_pr)/(8.314_pr*Tloc)) k60b_inf = (5.87038879e+24_pr)*Tloc**(-2.41_pr)* & exp(-(3.8767e+05_pr)/(8.314_pr*Tloc)) FC60b = (4.675e-01_pr)* & exp(-Tloc/(1.510e+02_pr)) + (5.325e-01_pr)* & exp(-Tloc/(1.038e+03_pr)) + (1.000e+00_pr)* & exp(-(4.970e+03_pr)/Tloc) k(r60b) = & getlindratecoeff & (Tloc, k60b_0, k60b_inf, FC60b, M(mM25), Ploc ) k(r61b) = (5.04117282e+09_pr)*Tloc**(-0.49_pr)*& exp(-(5.8616e+03_pr)/(8.314_pr*Tloc)) k63b_0 = (1.76486038e+30_pr)*Tloc**(-5.00_pr)*& exp(-(4.5275e+05_pr)/(8.314_pr*Tloc)) k63b_inf = (9.04873914e+18_pr)*Tloc**(-0.87_pr)* & exp(-(4.4415e+05_pr)/(8.314_pr*Tloc)) FC63b = (2.170e-01_pr)* & exp(-Tloc/(7.400e+01_pr)) + (7.830e-01_pr)* & exp(-Tloc/(2.941e+03_pr)) + (1.000e+00_pr)* & exp(-(6.964e+03_pr)/Tloc) k(r63b) = & getlindratecoeff & (Tloc, k63b_0, k63b_inf, FC63b, M(mM8), Ploc ) k66b_0 = (1.12590783e+38_pr)*Tloc**(-7.18_pr)*& exp(-(4.0534e+05_pr)/(8.314_pr*Tloc)) k66b_inf = (2.62711827e+19_pr)*Tloc**(-0.88_pr)* & exp(-(3.9237e+05_pr)/(8.314_pr*Tloc)) FC66b = (7.895e-01_pr)* & exp(-Tloc/(8.350e+01_pr)) + (2.105e-01_pr)* & exp(-Tloc/(5.398e+03_pr)) + (1.000e+00_pr)* & exp(-(8.370e+03_pr)/Tloc) k(r66b) = & getlindratecoeff & (Tloc, k66b_0, k66b_inf, FC66b, M(mM21), Ploc ) k(r69b) = (4.83393707e-01_pr)*Tloc**(2.03_pr)*& exp(-(5.6362e+04_pr)/(8.314_pr*Tloc)) k(r70b) = (2.50206078e-01_pr)*Tloc**(2.19_pr)*& exp(-(3.6023e+04_pr)/(8.314_pr*Tloc)) k(r71b) = (4.75851619e-01_pr)*Tloc**(2.05_pr)*& exp(-(6.8647e+04_pr)/(8.314_pr*Tloc)) k(r72b) = (2.34321780e-01_pr)*Tloc**(2.03_pr)*& exp(-(1.8777e+04_pr)/(8.314_pr*Tloc)) k(r73b) = (2.20680425e+06_pr)*Tloc**(-0.03_pr)*& exp(-(5.6657e+04_pr)/(8.314_pr*Tloc)) k75b_0 = (1.21476956e+29_pr)*Tloc**(-5.18_pr)*& exp(-(3.2077e+05_pr)/(8.314_pr*Tloc)) k75b_inf = (2.25793598e+20_pr)*Tloc**(-1.44_pr)* & exp(-(3.1266e+05_pr)/(8.314_pr*Tloc)) FC75b = (4.243e-01_pr)* & exp(-Tloc/(2.370e+02_pr)) + (5.757e-01_pr)* & exp(-Tloc/(1.652e+03_pr)) + (1.000e+00_pr)* & exp(-(5.069e+03_pr)/Tloc) k(r75b) = & getlindratecoeff & (Tloc, k75b_0, k75b_inf, FC75b, M(mM22), Ploc ) k(r76b) = (2.61671053e+08_pr)*Tloc**(-0.05_pr)*& exp(-(1.0977e+05_pr)/(8.314_pr*Tloc)) k(r77b) = (2.78992031e+10_pr)*Tloc**(-0.84_pr)*& exp(-(2.3689e+05_pr)/(8.314_pr*Tloc)) k(r79b) = (6.31713929e+06_pr)*Tloc**(-0.06_pr)*& exp(-(3.7280e+04_pr)/(8.314_pr*Tloc)) k(r83b) = (2.90963701e+04_pr)*Tloc**(-0.74_pr)*& exp(-(5.2387e+03_pr)/(8.314_pr*Tloc)) k(r85b) = (3.49156441e+05_pr)*Tloc**(-0.74_pr)*& exp(-(5.2387e+03_pr)/(8.314_pr*Tloc)) k(r90b) = (9.08518312e+05_pr)*Tloc**(0.10_pr)*& exp(-(2.3851e+03_pr)/(8.314_pr*Tloc)) k(r91b) = (3.16519836e+01_pr)*Tloc**(1.53_pr)*& exp(-(7.7070e+04_pr)/(8.314_pr*Tloc)) k93b_0 = (2.47624170e+26_pr)*Tloc**(-5.15_pr)*& exp(-(1.1766e+05_pr)/(8.314_pr*Tloc)) k93b_inf = (6.07804782e+13_pr)*Tloc**(0.10_pr)* & exp(-(1.0528e+05_pr)/(8.314_pr*Tloc)) FC93b = (2.420e-01_pr)* & exp(-Tloc/(9.400e+01_pr)) + (7.580e-01_pr)* & exp(-Tloc/(1.555e+03_pr)) + (1.000e+00_pr)* & exp(-(4.200e+03_pr)/Tloc) k(r93b) = & getlindratecoeff & (Tloc, k93b_0, k93b_inf, FC93b, M(mM11), Ploc ) k(r100b) = (5.94624729e+00_pr)*Tloc**(1.40_pr)*& exp(-(3.8592e+04_pr)/(8.314_pr*Tloc)) k(r102b) = (3.44703140e+02_pr)*Tloc**(0.93_pr)*& exp(-(4.2047e+04_pr)/(8.314_pr*Tloc)) k(r105b) = (2.52553401e-01_pr)*Tloc**(2.38_pr)*& exp(-(1.9170e+04_pr)/(8.314_pr*Tloc)) k(r106b) = (4.75512690e+00_pr)*Tloc**(2.16_pr)*& exp(-(6.9991e+04_pr)/(8.314_pr*Tloc)) k(r107b) = (1.58617102e+03_pr)*Tloc**(1.22_pr)*& exp(-(4.9717e+04_pr)/(8.314_pr*Tloc)) k(r108b) = (4.91333056e+06_pr)*Tloc**(-0.06_pr)*& exp(-(3.7280e+04_pr)/(8.314_pr*Tloc)) k(r112b) = (2.62808926e+01_pr)*Tloc**(1.84_pr)*& exp(-(8.9632e+04_pr)/(8.314_pr*Tloc)) k113b_0 = (1.08961270e+34_pr)*Tloc**(-7.13_pr)*& exp(-(1.7718e+05_pr)/(8.314_pr*Tloc)) k113b_inf = (1.60574503e+12_pr)*Tloc**(0.14_pr)* & exp(-(1.5701e+05_pr)/(8.314_pr*Tloc)) FC113b = (2.493e-01_pr)* & exp(-Tloc/(9.850e+01_pr)) + (7.507e-01_pr)* & exp(-Tloc/(1.302e+03_pr)) + (1.000e+00_pr)* & exp(-(4.167e+03_pr)/Tloc) k(r113b) = & getlindratecoeff & (Tloc, k113b_0, k113b_inf, FC113b, M(mM15), Ploc ) k(r119b) = (4.61169889e-04_pr)*Tloc**(3.04_pr)*& exp(-(1.7677e+04_pr)/(8.314_pr*Tloc)) k(r120b) = (2.08409256e-01_pr)*Tloc**(1.94_pr)*& exp(-(1.4294e+04_pr)/(8.314_pr*Tloc)) k(r121b) = (1.57276993e-02_pr)*Tloc**(2.39_pr)*& exp(-(4.1841e+04_pr)/(8.314_pr*Tloc)) k124b_0 = (2.77381746e+36_pr)*Tloc**(-7.77_pr)*& exp(-(1.8065e+05_pr)/(8.314_pr*Tloc)) k124b_inf = (2.49643571e+12_pr)*Tloc**(0.30_pr)* & exp(-(1.5910e+05_pr)/(8.314_pr*Tloc)) FC124b = (2.470e-02_pr)* & exp(-Tloc/(2.100e+02_pr)) + (9.753e-01_pr)* & exp(-Tloc/(9.840e+02_pr)) + (1.000e+00_pr)* & exp(-(4.374e+03_pr)/Tloc) k(r124b) = & getlindratecoeff & (Tloc, k124b_0, k124b_inf, FC124b, M(mM17), Ploc ) k(r125b) = (6.48009707e+05_pr)*Tloc**(0.11_pr)*& exp(-(6.9556e+04_pr)/(8.314_pr*Tloc)) k(r129b) = (7.01143717e-03_pr)*Tloc**(2.58_pr)*& exp(-(7.9874e+04_pr)/(8.314_pr*Tloc)) k(r131b) = (1.81461290e-02_pr)*Tloc**(2.48_pr)*& exp(-(4.2820e+04_pr)/(8.314_pr*Tloc)) k(r132b) = (2.55564546e+00_pr)*Tloc**(1.76_pr)*& exp(-(6.4377e+04_pr)/(8.314_pr*Tloc)) k(r134b) = (1.34398568e+02_pr)*Tloc**(1.54_pr)*& exp(-(7.1907e+04_pr)/(8.314_pr*Tloc)) k(rnog139b) = (2.61279923e+05_pr)*Tloc**(0.09_pr)*& exp(-(1.5847e+05_pr)/(8.314_pr*Tloc)) k(rnog140b) = (3.56154790e+09_pr)*Tloc**(-0.34_pr)*& exp(-(2.0897e+05_pr)/(8.314_pr*Tloc)) k(rnog142b) = (4.44335908e+04_pr)*Tloc**(1.19_pr)*& exp(-(1.6654e+05_pr)/(8.314_pr*Tloc)) k(rnog143b) = (5.66387633e+07_pr)*Tloc**(0.12_pr)*& exp(-(1.0300e+05_pr)/(8.314_pr*Tloc)) k(rnog144b) = (2.60465051e+09_pr)*Tloc**(-0.26_pr)*& exp(-(2.9802e+05_pr)/(8.314_pr*Tloc)) k(rnog145b) = (1.11382787e+01_pr)*Tloc**(1.67_pr)*& exp(-(3.1133e+04_pr)/(8.314_pr*Tloc)) k(rnog146b) = (1.89638478e+10_pr)*Tloc**(-0.64_pr)*& exp(-(6.9550e+04_pr)/(8.314_pr*Tloc)) k(rnog147b) = (2.38036794e+11_pr)*Tloc**(-0.76_pr)*& exp(-(7.6524e+04_pr)/(8.314_pr*Tloc)) k(rnog149b) = (2.58062893e+06_pr)*Tloc**(0.30_pr)*& exp(-(6.6027e+04_pr)/(8.314_pr*Tloc)) k(rnog150b) = (2.73666839e+05_pr)*Tloc**(0.26_pr)*& exp(-(4.2881e+04_pr)/(8.314_pr*Tloc)) k(rnog151b) = (7.28829112e+01_pr)*Tloc**(1.68_pr)*& exp(-(1.1376e+05_pr)/(8.314_pr*Tloc)) k(rnog152b) = (2.14040553e+10_pr)*Tloc**(-0.50_pr)*& exp(-(1.1941e+05_pr)/(8.314_pr*Tloc)) k(rnog155b) = (3.64575666e+08_pr)*Tloc**(-0.07_pr)*& exp(-(2.0908e+05_pr)/(8.314_pr*Tloc)) k(rnog157b) = (6.84553877e+07_pr)*Tloc**(-0.25_pr)*& exp(-(2.8561e+04_pr)/(8.314_pr*Tloc)) k(rnog158b) = (2.49835133e+15_pr)*Tloc**(-1.68_pr)*& exp(-(1.5318e+05_pr)/(8.314_pr*Tloc)) k(rnog161b) = (4.38640543e+14_pr)*Tloc**(-1.97_pr)*& exp(-(1.3960e+05_pr)/(8.314_pr*Tloc)) k(rnog162b) = (5.66511261e+07_pr)*Tloc**(0.12_pr)*& exp(-(3.1560e+05_pr)/(8.314_pr*Tloc)) k(rnog163b) = (3.02083386e+18_pr)*Tloc**(-2.13_pr)*& exp(-(3.0798e+05_pr)/(8.314_pr*Tloc)) k(rnog164b) = (3.34699074e+15_pr)*Tloc**(-1.52_pr)*& exp(-(2.0693e+05_pr)/(8.314_pr*Tloc)) k(rnog167b) = (6.24929213e+14_pr)*Tloc**(-1.92_pr)*& exp(-(1.0232e+05_pr)/(8.314_pr*Tloc)) k(rnog170b) = (3.74987338e+07_pr)*Tloc**(-0.03_pr)*& exp(-(4.0796e+05_pr)/(8.314_pr*Tloc)) k(rnog171b) = (3.25026900e+03_pr)*Tloc**(1.26_pr)*& exp(-(2.3214e+05_pr)/(8.314_pr*Tloc)) k(rnog172b) = (4.76834183e+05_pr)*Tloc**(0.16_pr)*& exp(-(5.5391e+04_pr)/(8.314_pr*Tloc)) k(rnog173b) = (1.09422181e+05_pr)*Tloc**(0.50_pr)*& exp(-(2.2150e+05_pr)/(8.314_pr*Tloc)) k(rnog174b) = (1.17860363e+00_pr)*Tloc**(2.31_pr)*& exp(-(2.9033e+05_pr)/(8.314_pr*Tloc)) k(rnog175b) = (7.58140660e+02_pr)*Tloc**(1.01_pr)*& exp(-(1.1885e+05_pr)/(8.314_pr*Tloc)) k(rnog176b) = (1.10341124e+04_pr)*Tloc**(0.58_pr)*& exp(-(1.8893e+05_pr)/(8.314_pr*Tloc)) k(rnog178b) = (4.51227723e+00_pr)*Tloc**(2.03_pr)*& exp(-(5.2660e+04_pr)/(8.314_pr*Tloc)) k(rnog180b) = (4.13866508e+03_pr)*Tloc**(1.35_pr)*& exp(-(2.2391e+04_pr)/(8.314_pr*Tloc)) k(rnog183b) = (7.84160846e-01_pr)*Tloc**(0.67_pr)*& exp(-(-3.2017e+04_pr)/(8.314_pr*Tloc)) k(rnog186b) = (7.34329077e+01_pr)*Tloc**(1.39_pr)*& exp(-(9.8672e+04_pr)/(8.314_pr*Tloc)) k(rnog189b) = (2.31353700e+06_pr)*Tloc**(0.26_pr)*& exp(-(1.5159e+05_pr)/(8.314_pr*Tloc)) k(rnog191b) = (7.51856937e+05_pr)*Tloc**(0.33_pr)*& exp(-(5.9122e+04_pr)/(8.314_pr*Tloc)) k(rnog192b) = (7.65253513e-04_pr)*Tloc**(1.51_pr)*& exp(-(-1.4496e+04_pr)/(8.314_pr*Tloc)) k(rnog193b) = (1.71729883e-02_pr)*Tloc**(2.52_pr)*& exp(-(5.3616e+03_pr)/(8.314_pr*Tloc)) k(rnog194b) = (1.35255186e-03_pr)*Tloc**(2.95_pr)*& exp(-(2.1187e+04_pr)/(8.314_pr*Tloc)) k(rnog195b) = (6.10911836e-06_pr)*Tloc**(3.24_pr)*& exp(-(2.9353e+04_pr)/(8.314_pr*Tloc)) k(r201b) = (1.05285655e+07_pr)*Tloc**(-0.06_pr)*& exp(-(3.9791e+04_pr)/(8.314_pr*Tloc)) k(r202b) = (6.68698154e+14_pr)*Tloc**(-1.76_pr)*& exp(-(2.0482e+05_pr)/(8.314_pr*Tloc)) k(rnog203b) = (2.21166842e+06_pr)*Tloc**(0.27_pr)*& exp(-(2.3589e+05_pr)/(8.314_pr*Tloc)) k(rnog204b) = (8.18587477e+01_pr)*Tloc**(0.31_pr)*& exp(-(3.1064e+04_pr)/(8.314_pr*Tloc)) k(rnog207b) = (1.63713004e+06_pr)*Tloc**(0.40_pr)*& exp(-(4.8434e+04_pr)/(8.314_pr*Tloc)) k(rnog208b) = (1.68204283e+07_pr)*Tloc**(0.52_pr)*& exp(-(5.2919e+05_pr)/(8.314_pr*Tloc)) k(rnog209b) = (3.22473855e+01_pr)*Tloc**(0.20_pr)*& exp(-(5.1904e+04_pr)/(8.314_pr*Tloc)) k(rnog210b) = (3.10264175e+03_pr)*Tloc**(0.67_pr)*& exp(-(1.9499e+05_pr)/(8.314_pr*Tloc)) k(rnog211b) = (1.99355236e+02_pr)*Tloc**(1.00_pr)*& exp(-(3.7260e+05_pr)/(8.314_pr*Tloc)) knog212b_0 = (1.09495817e-03_pr)*Tloc**(1.14_pr)*& exp(-(6.4153e+04_pr)/(8.314_pr*Tloc)) knog212b_inf = (2.29588004e-01_pr)*Tloc**(1.14_pr)* & exp(-(7.8953e+04_pr)/(8.314_pr*Tloc)) FCnog212b = + (1.000e+00_pr)* & exp(-(0.000e+00_pr)/Tloc) k(rnog212b) = & getlindratecoeff & (Tloc, knog212b_0, knog212b_inf, FCnog212b, M(mM28), Ploc ) k(rnog214b) = (1.27190698e+02_pr)*Tloc**(1.43_pr)*& exp(-(3.3378e+05_pr)/(8.314_pr*Tloc)) end subroutine get_rate_coefficients ! --- Reaction rates --- ! subroutine get_reaction_rates(w,k,m,c,cqss) implicit none real(pr), dimension(nspec) :: c real(pr), dimension(nqss) :: cqss real(pr), dimension(nreac) :: w,k real(pr), dimension(31) :: m w(r1) = k(r1) * c(sH)**2_pr * m(mM38) w(r2) = k(r2) * c(sH)**2_pr * m(mM5) w(r3) = k(r3) * c(sO)**2_pr * m(mM1) w(r4f) = k(r4f) * c(sO) * c(sH2) w(r5f) = k(r5f) * c(sH) * c(sOH) * m(mM6) w(r6f) = k(r6f) * c(sOH)**2_pr w(r7f) = k(r7f) * c(sOH) * c(sH2) w(r8f) = k(r8f) * c(sOH)**2_pr w(r9) = k(r9) * c(sH)**2_pr * c(sH2O) w(r10f) = k(r10f) * c(sH) * c(sO2) * m(mM4) w(r11f) = k(r11f) * c(sH) * c(sO2) * c(sH2O) w(r12f) = k(r12f) * c(sH) * c(sO2) * m(mM37) w(r13f) = k(r13f) * c(sH) * c(sO2) w(r14f) = k(r14f) * c(sOH) * c(sHO2) w(r15) = k(r15) * c(sH) * c(sHO2) w(r16f) = k(r16f) * c(sO) * c(sHO2) w(r17) = k(r17) * c(sHO2)**2_pr w(r18) = k(r18) * c(sHO2)**2_pr w(r19f) = k(r19f) * c(sH) * c(sHO2) w(r20f) = k(r20f) * c(sH) * c(sHO2) w(r21f) = k(r21f) * c(sOH) * c(sH2O2) w(r22) = k(r22) * c(sOH) * c(sH2O2) w(r23) = k(r23) * c(sO) * c(sH2O2) w(r24f) = k(r24f) * c(sH) * c(sH2O2) w(r25) = k(r25) * c(sH) * c(sH2O2) w(r26) = k(r26) * cqss(sC-nspec) * c(sO2) w(r27) = k(r27) * c(sOH) * cqss(sC-nspec) w(r28f) = k(r28f) * cqss(sCH-nspec) * c(sH2) w(r29) = k(r29) * c(sO) * cqss(sCH-nspec) w(r30f) = k(r30f) * c(sH) * cqss(sCH-nspec) w(r31) = k(r31) * cqss(sCH-nspec) * c(sO2) w(r32) = k(r32) * c(sOH) * cqss(sCH-nspec) w(r33) = k(r33) * cqss(sCH-nspec) * c(sH2O) w(r36) = k(r36) * c(sHO2) * cqss(sCH2-nspec) w(r37) = k(r37) * c(sOH) * cqss(sCH2-nspec) w(r38) = k(r38) * c(sO) * cqss(sCH2-nspec) w(r39f) = k(r39f) * c(sOH) * cqss(sCH2-nspec) w(r40f) = k(r40f) * cqss(sCH2-nspec) * c(sH2) w(r41) = k(r41) * c(sH) * cqss(sCH2-nspec) w(r42) = k(r42) * cqss(sCH2-nspec) * c(sO2) w(r43f) = k(r43f) * c(sH) * cqss(s1XCH2-nspec) w(r44) = k(r44) * cqss(s1XCH2-nspec) * c(sO2) w(r45) = k(r45) * c(sOH) * cqss(s1XCH2-nspec) w(r46f) = k(r46f) * cqss(s1XCH2-nspec) * c(sH2O) w(r47) = k(r47) * c(sO) * cqss(s1XCH2-nspec) w(r48) = k(r48) * c(sO) * cqss(s1XCH2-nspec) w(r49f) = k(r49f) * cqss(s1XCH2-nspec) * c(sH2O) w(r50) = k(r50) * cqss(s1XCH2-nspec) * c(sO2) w(r51f) = k(r51f) * cqss(s1XCH2-nspec) * c(sH2) w(r52) = k(r52) * c(sHO2) * c(sCH3) w(r53) = k(r53) * cqss(sC-nspec) * c(sCH3) w(r54f) = k(r54f) * c(sCH3)**2_pr w(r55f) = k(r55f) * c(sOH) * c(sCH3) w(r56f) = k(r56f) * c(sCH3) * c(sH2O2) w(r57) = k(r57) * cqss(sCH-nspec) * c(sCH3) w(r58f) = k(r58f) * c(sOH) * c(sCH3) w(r59) = k(r59) * c(sO) * c(sCH3) w(r60f) = k(r60f) * c(sCH3)**2_pr w(r61f) = k(r61f) * c(sCH3) * c(sO2) w(r62) = k(r62) * c(sCH3) * c(sO2) w(r63f) = k(r63f) * c(sH) * c(sCH3) w(r64) = k(r64) * cqss(sCH2-nspec) * c(sCH3) w(r65) = k(r65) * cqss(s1XCH2-nspec) * c(sCH3) w(r66f) = k(r66f) * c(sOH) * c(sCH3) w(r67) = k(r67) * c(sHO2) * c(sCH3) w(r68) = k(r68) * cqss(sCH-nspec) * c(sCH4) w(r69f) = k(r69f) * cqss(sCH2-nspec) * c(sCH4) w(r70f) = k(r70f) * c(sH) * c(sCH4) w(r71f) = k(r71f) * c(sOH) * c(sCH4) w(r72f) = k(r72f) * c(sO) * c(sCH4) w(r73f) = k(r73f) * cqss(s1XCH2-nspec) * c(sCH4) w(r74) = k(r74) * c(sHO2) * c(sCO) w(r75f) = k(r75f) * cqss(sCH-nspec) * c(sCO) w(r76f) = k(r76f) * c(sOH) * c(sCO) w(r77f) = k(r77f) * c(sO2) * c(sCO) w(r78) = k(r78) * c(sO) * c(sCO) * m(mM3) w(r79f) = k(r79f) * cqss(s1XCH2-nspec) * c(sCO) w(r80) = k(r80) * c(sO) * cqss(sHCO-nspec) w(r81) = k(r81) * c(sH) * cqss(sHCO-nspec) w(r82) = k(r82) * c(sO) * cqss(sHCO-nspec) w(r83f) = k(r83f) * cqss(sHCO-nspec) * m(mM26) w(r84) = k(r84) * c(sOH) * cqss(sHCO-nspec) w(r85f) = k(r85f) * cqss(sHCO-nspec) * c(sH2O) w(r86) = k(r86) * cqss(sHCO-nspec) * c(sO2) w(r87) = k(r87) * c(sCH3) * cqss(sHCO-nspec) w(r88) = k(r88) * c(sHO2) * c(sCH2O) w(r89) = k(r89) * c(sOH) * c(sCH2O) w(r90f) = k(r90f) * c(sO2) * c(sCH2O) w(r91f) = k(r91f) * c(sH) * c(sCH2O) w(r92) = k(r92) * c(sO) * c(sCH2O) w(r93f) = k(r93f) * c(sH) * c(sCH2O) w(r94) = k(r94) * c(sCH2O) w(r95) = k(r95) * c(sCH3) * c(sCH2O) w(r96) = k(r96) * c(sCH2O) w(r97) = k(r97) * c(sH) * cqss(sCH3O-nspec) w(r98) = k(r98) * c(sH) * cqss(sCH3O-nspec) w(r99) = k(r99) * c(sOH) * cqss(sCH3O-nspec) w(r100f) = k(r100f) * c(sH) * cqss(sCH3O-nspec) w(r101) = k(r101) * cqss(sCH3O-nspec) * c(sO2) w(r102f) = k(r102f) * c(sH) * cqss(sCH3O-nspec) w(r103) = k(r103) * c(sO) * cqss(sCH3O-nspec) w(r104) = k(r104) * c(sO) * c(sCH3OH) w(r105f) = k(r105f) * c(sH) * c(sCH3OH) w(r106f) = k(r106f) * c(sOH) * c(sCH3OH) w(r107f) = k(r107f) * c(sCH3) * c(sCH3OH) w(r108f) = k(r108f) * cqss(s1XCH2-nspec) * c(sCO2) w(r109) = k(r109) * cqss(sCH-nspec) * c(sCO2) w(r110) = k(r110) * cqss(s1XCH2-nspec) * c(sCO2) w(r111) = k(r111) * c(sOH) * c(sC2H2) w(r112f) = k(r112f) * c(sO) * c(sC2H2) w(r113f) = k(r113f) * c(sH) * c(sC2H2) w(r114) = k(r114) * c(sO) * c(sC2H2) w(r115) = k(r115) * cqss(sC2H3-nspec) * c(sO2) w(r116) = k(r116) * c(sH) * cqss(sC2H3-nspec) w(r117) = k(r117) * c(sOH) * cqss(sC2H3-nspec) w(r118) = k(r118) * c(sH) * cqss(sC2H3-nspec) w(r119f) = k(r119f) * c(sH) * c(sC2H4) w(r120f) = k(r120f) * c(sCH3) * c(sC2H4) w(r121f) = k(r121f) * c(sOH) * c(sC2H4) w(r122) = k(r122) * c(sC2H4) w(r123) = k(r123) * c(sO) * c(sC2H4) w(r124f) = k(r124f) * c(sH) * c(sC2H4) w(r125f) = k(r125f) * cqss(sC2H5-nspec) * c(sO2) w(r126) = k(r126) * c(sH) * cqss(sC2H5-nspec) w(r127) = k(r127) * c(sH) * cqss(sC2H5-nspec) w(r128) = k(r128) * c(sO) * cqss(sC2H5-nspec) w(r129f) = k(r129f) * c(sOH) * c(sC2H6) w(r130) = k(r130) * c(sO) * c(sC2H6) w(r131f) = k(r131f) * c(sH) * c(sC2H6) w(r132f) = k(r132f) * c(sCH3) * c(sC2H6) w(r133) = k(r133) * cqss(s1XCH2-nspec) * c(sC2H6) w(r134f) = k(r134f) * c(sH) * cqss(sHCCO-nspec) w(r135) = k(r135) * cqss(sHCCO-nspec) * c(sO2) w(r138) = k(r138) * c(sO) * cqss(sHCCO-nspec) w(rnog139f) = k(rnog139f) * cqss(sN-nspec) * c(sO2) w(rnog140f) = k(rnog140f) * cqss(sN-nspec) * c(sOH) w(rnog141) = k(rnog141) * c(sCH3) * cqss(sN-nspec) w(rnog142f) = k(rnog142f) * cqss(sNH-nspec) * c(sOH) w(rnog143f) = k(rnog143f) * cqss(sNH-nspec) * c(sH) w(rnog144f) = k(rnog144f) * cqss(sNH-nspec) * c(sO) w(rnog145f) = k(rnog145f) * cqss(sNH-nspec) * c(sO2) w(rnog146f) = k(rnog146f) * cqss(sNH-nspec) * c(sH2O) w(rnog147f) = k(rnog147f) * cqss(sNH-nspec) * c(sOH) w(rnog148) = k(rnog148) * cqss(sNH-nspec) * c(sO2) w(rnog149f) = k(rnog149f) * cqss(sNH2-nspec) * c(sH) w(rnog150f) = k(rnog150f) * cqss(sNH2-nspec) * c(sO) w(rnog151f) = k(rnog151f) * cqss(sNH2-nspec) * c(sOH) w(rnog152f) = k(rnog152f) * cqss(sNH2-nspec) * c(sO) w(rnog153) = k(rnog153) * cqss(sCH-nspec) * c(sNO) w(rnog154) = k(rnog154) * cqss(sCH2-nspec) * c(sNO) w(rnog155f) = k(rnog155f) * cqss(sHCCO-nspec) * c(sNO) w(rnog156) = k(rnog156) * cqss(s1XCH2-nspec) * c(sNO) w(rnog157f) = k(rnog157f) * c(sHO2) * c(sNO) w(rnog158f) = k(rnog158f) * cqss(sNH-nspec) * c(sNO) w(rnog159) = k(rnog159) * cqss(sCH-nspec) * c(sNO) w(rnog160) = k(rnog160) * cqss(sCH-nspec) * c(sNO) w(rnog161f) = k(rnog161f) * cqss(s1XCH2-nspec) * c(sNO) w(rnog162f) = k(rnog162f) * cqss(sN-nspec) * c(sNO) w(rnog163f) = k(rnog163f) * c(sNO) * c(sO) * m(mM29) w(rnog164f) = k(rnog164f) * c(sH) * c(sNO) * m(mM31) w(rnog165) = k(rnog165) * cqss(sC-nspec) * c(sNO) w(rnog166) = k(rnog166) * cqss(sCH2-nspec) * c(sNO) w(rnog167f) = k(rnog167f) * cqss(sCH2-nspec) * c(sNO) w(rnog168) = k(rnog168) * c(sCH3) * c(sNO) w(rnog169) = k(rnog169) * cqss(s1XCH2-nspec) * c(sNO) w(rnog170f) = k(rnog170f) * cqss(sNH-nspec) * c(sNO) w(rnog171f) = k(rnog171f) * cqss(sHNO-nspec) * c(sH) w(rnog172f) = k(rnog172f) * cqss(sHNO-nspec) * c(sO2) w(rnog173f) = k(rnog173f) * cqss(sHNO-nspec) * c(sO) w(rnog174f) = k(rnog174f) * cqss(sHNO-nspec) * c(sOH) w(rnog175f) = k(rnog175f) * c(sNO2) * c(sH) w(rnog176f) = k(rnog176f) * c(sNO2) * c(sO) w(rnog177) = k(rnog177) * c(sHCN) * c(sOH) w(rnog178f) = k(rnog178f) * c(sHCN) * c(sO) w(rnog179) = k(rnog179) * c(sHCN) * c(sOH) w(rnog180f) = k(rnog180f) * c(sHCN) * c(sOH) w(rnog181) = k(rnog181) * c(sHCN) * c(sO) w(rnog182) = k(rnog182) * cqss(sNCO-nspec) * c(sO2) w(rnog183f) = k(rnog183f) * cqss(sNCO-nspec) * m(mM32) w(rnog184) = k(rnog184) * cqss(sNCO-nspec) * c(sO) w(rnog185) = k(rnog185) * cqss(sNCO-nspec) * c(sNO) w(rnog186f) = k(rnog186f) * cqss(sNCO-nspec) * c(sH) w(rnog187) = k(rnog187) * cqss(sNCO-nspec) * c(sOH) w(rnog188) = k(rnog188) * cqss(sNCO-nspec) * c(sNO) w(rnog189f) = k(rnog189f) * cqss(sHNCO-nspec) * c(sOH) w(rnog190) = k(rnog190) * cqss(sHNCO-nspec) * c(sO) w(rnog191f) = k(rnog191f) * cqss(sHNCO-nspec) * c(sOH) w(rnog192f) = k(rnog192f) * cqss(sHNCO-nspec) * m(mM36) w(rnog193f) = k(rnog193f) * cqss(sHNCO-nspec) * c(sO) w(rnog194f) = k(rnog194f) * cqss(sHNCO-nspec) * c(sH) w(rnog195f) = k(rnog195f) * cqss(sHNCO-nspec) * c(sH) w(rnog196) = k(rnog196) * cqss(sHCNO-nspec) * c(sH) w(rnog197) = k(rnog197) * cqss(sHCNO-nspec) * c(sH) w(rnog198) = k(rnog198) * cqss(sHCNO-nspec) * c(sH) w(rnog199) = k(rnog199) * cqss(sHOCN-nspec) * c(sH) w(rnog200) = k(rnog200) * cqss(sCH-nspec) * c(sN2) w(r201f) = k(r201f) * cqss(s1XCH2-nspec) * c(sN2) w(r202f) = k(r202f) * c(sH) * c(sO2) * c(sN2) w(rnog203f) = k(rnog203f) * cqss(sNNH-nspec) * c(sO2) w(rnog204f) = k(rnog204f) * cqss(sNNH-nspec) w(rnog205) = k(rnog205) * cqss(sNNH-nspec) * c(sO) w(rnog206) = k(rnog206) * cqss(sNNH-nspec) * c(sH) w(rnog207f) = k(rnog207f) * cqss(sNNH-nspec) * c(sO) w(rnog208f) = k(rnog208f) * cqss(sNNH-nspec) * c(sOH) w(rnog209f) = k(rnog209f) * cqss(sNNH-nspec) * m(mM30) w(rnog210f) = k(rnog210f) * c(sN2O) * c(sOH) w(rnog211f) = k(rnog211f) * c(sN2O) * c(sO) w(rnog212f) = k(rnog212f) * c(sN2O) w(rnog213) = k(rnog213) * c(sN2O) * c(sO) w(rnog214f) = k(rnog214f) * c(sN2O) * c(sH) w(r4b) = k(r4b) * c(sH) * c(sOH) w(r5b) = k(r5b) * c(sH2O) * m(mM6) w(r6b) = k(r6b) * c(sO) * c(sH2O) w(r7b) = k(r7b) * c(sH) * c(sH2O) w(r8b) = k(r8b) * c(sH2O2) w(r10b) = k(r10b) * c(sHO2) * m(mM4) w(r11b) = k(r11b) * c(sHO2) * c(sH2O) w(r12b) = k(r12b) * c(sHO2) * m(mM37) w(r13b) = k(r13b) * c(sO) * c(sOH) w(r14b) = k(r14b) * c(sO2) * c(sH2O) w(r16b) = k(r16b) * c(sOH) * c(sO2) w(r19b) = k(r19b) * c(sO2) * c(sH2) w(r20b) = k(r20b) * c(sOH)**2_pr w(r21b) = k(r21b) * c(sHO2) * c(sH2O) w(r24b) = k(r24b) * c(sHO2) * c(sH2) w(r28b) = k(r28b) * c(sH) * cqss(sCH2-nspec) w(r30b) = k(r30b) * cqss(sC-nspec) * c(sH2) w(r39b) = k(r39b) * cqss(sCH-nspec) * c(sH2O) w(r40b) = k(r40b) * c(sH) * c(sCH3) w(r43b) = k(r43b) * cqss(sCH-nspec) * c(sH2) w(r46b) = k(r46b) * cqss(sCH2-nspec) * c(sH2O) w(r49b) = k(r49b) * c(sCH3OH) w(r51b) = k(r51b) * c(sCH3) * c(sH) w(r54b) = k(r54b) * c(sH) * cqss(sC2H5-nspec) w(r55b) = k(r55b) * cqss(s1XCH2-nspec) * c(sH2O) w(r56b) = k(r56b) * c(sHO2) * c(sCH4) w(r58b) = k(r58b) * cqss(sCH2-nspec) * c(sH2O) w(r60b) = k(r60b) * c(sC2H6) w(r61b) = k(r61b) * c(sO) * cqss(sCH3O-nspec) w(r63b) = k(r63b) * c(sCH4) w(r66b) = k(r66b) * c(sCH3OH) w(r69b) = k(r69b) * c(sCH3)**2_pr w(r70b) = k(r70b) * c(sCH3) * c(sH2) w(r71b) = k(r71b) * c(sCH3) * c(sH2O) w(r72b) = k(r72b) * c(sOH) * c(sCH3) w(r73b) = k(r73b) * c(sCH3)**2_pr w(r75b) = k(r75b) * cqss(sHCCO-nspec) w(r76b) = k(r76b) * c(sH) * c(sCO2) w(r77b) = k(r77b) * c(sO) * c(sCO2) w(r79b) = k(r79b) * cqss(sCH2-nspec) * c(sCO) w(r83b) = k(r83b) * c(sH) * c(sCO) * m(mM26) w(r85b) = k(r85b) * c(sH) * c(sCO) * c(sH2O) w(r90b) = k(r90b) * c(sHO2) * cqss(sHCO-nspec) w(r91b) = k(r91b) * cqss(sHCO-nspec) * c(sH2) w(r93b) = k(r93b) * cqss(sCH3O-nspec) w(r100b) = k(r100b) * cqss(s1XCH2-nspec) * c(sH2O) w(r102b) = k(r102b) * c(sOH) * c(sCH3) w(r105b) = k(r105b) * cqss(sCH3O-nspec) * c(sH2) w(r106b) = k(r106b) * cqss(sCH3O-nspec) * c(sH2O) w(r107b) = k(r107b) * cqss(sCH3O-nspec) * c(sCH4) w(r108b) = k(r108b) * cqss(sCH2-nspec) * c(sCO2) w(r112b) = k(r112b) * c(sH) * cqss(sHCCO-nspec) w(r113b) = k(r113b) * cqss(sC2H3-nspec) w(r119b) = k(r119b) * cqss(sC2H3-nspec) * c(sH2) w(r120b) = k(r120b) * cqss(sC2H3-nspec) * c(sCH4) w(r121b) = k(r121b) * cqss(sC2H3-nspec) * c(sH2O) w(r124b) = k(r124b) * cqss(sC2H5-nspec) w(r125b) = k(r125b) * c(sHO2) * c(sC2H4) w(r129b) = k(r129b) * cqss(sC2H5-nspec) * c(sH2O) w(r131b) = k(r131b) * cqss(sC2H5-nspec) * c(sH2) w(r132b) = k(r132b) * cqss(sC2H5-nspec) * c(sCH4) w(r134b) = k(r134b) * cqss(s1XCH2-nspec) * c(sCO) w(rnog139b) = k(rnog139b) * c(sNO) * c(sO) w(rnog140b) = k(rnog140b) * c(sNO) * c(sH) w(rnog142b) = k(rnog142b) * cqss(sN-nspec) * c(sH2O) w(rnog143b) = k(rnog143b) * cqss(sN-nspec) * c(sH2) w(rnog144b) = k(rnog144b) * c(sNO) * c(sH) w(rnog145b) = k(rnog145b) * cqss(sHNO-nspec) * c(sO) w(rnog146b) = k(rnog146b) * cqss(sHNO-nspec) * c(sH2) w(rnog147b) = k(rnog147b) * cqss(sHNO-nspec) * c(sH) w(rnog149b) = k(rnog149b) * cqss(sNH-nspec) * c(sH2) w(rnog150b) = k(rnog150b) * c(sOH) * cqss(sNH-nspec) w(rnog151b) = k(rnog151b) * cqss(sNH-nspec) * c(sH2O) w(rnog152b) = k(rnog152b) * c(sH) * cqss(sHNO-nspec) w(rnog155b) = k(rnog155b) * cqss(sHCNO-nspec) * c(sCO) w(rnog157b) = k(rnog157b) * c(sNO2) * c(sOH) w(rnog158b) = k(rnog158b) * c(sN2O) * c(sH) w(rnog161b) = k(rnog161b) * c(sH) * cqss(sHCNO-nspec) w(rnog162b) = k(rnog162b) * c(sN2) * c(sO) w(rnog163b) = k(rnog163b) * c(sNO2) * m(mM29) w(rnog164b) = k(rnog164b) * cqss(sHNO-nspec) * m(mM31) w(rnog167b) = k(rnog167b) * c(sH) * cqss(sHCNO-nspec) w(rnog170b) = k(rnog170b) * c(sN2) * c(sOH) w(rnog171b) = k(rnog171b) * c(sH2) * c(sNO) w(rnog172b) = k(rnog172b) * c(sHO2) * c(sNO) w(rnog173b) = k(rnog173b) * c(sNO) * c(sOH) w(rnog174b) = k(rnog174b) * c(sNO) * c(sH2O) w(rnog175b) = k(rnog175b) * c(sNO) * c(sOH) w(rnog176b) = k(rnog176b) * c(sNO) * c(sO2) w(rnog178b) = k(rnog178b) * cqss(sNCO-nspec) * c(sH) w(rnog180b) = k(rnog180b) * cqss(sHOCN-nspec) * c(sH) w(rnog183b) = k(rnog183b) * cqss(sN-nspec) * c(sCO) * m(mM32) w(rnog186b) = k(rnog186b) * cqss(sNH-nspec) * c(sCO) w(rnog189b) = k(rnog189b) * cqss(sNH2-nspec) * c(sCO2) w(rnog191b) = k(rnog191b) * cqss(sNCO-nspec) * c(sH2O) w(rnog192b) = k(rnog192b) * cqss(sNH-nspec) * c(sCO) * m(mM36) w(rnog193b) = k(rnog193b) * cqss(sNCO-nspec) * c(sOH) w(rnog194b) = k(rnog194b) * c(sH2) * cqss(sNCO-nspec) w(rnog195b) = k(rnog195b) * cqss(sNH2-nspec) * c(sCO) w(r201b) = k(r201b) * cqss(sCH2-nspec) * c(sN2) w(r202b) = k(r202b) * c(sHO2) * c(sN2) w(rnog203b) = k(rnog203b) * c(sHO2) * c(sN2) w(rnog204b) = k(rnog204b) * c(sN2) * c(sH) w(rnog207b) = k(rnog207b) * cqss(sNH-nspec) * c(sNO) w(rnog208b) = k(rnog208b) * c(sH2O) * c(sN2) w(rnog209b) = k(rnog209b) * c(sN2) * c(sH) * m(mM30) w(rnog210b) = k(rnog210b) * c(sN2) * c(sHO2) w(rnog211b) = k(rnog211b) * c(sN2) * c(sO2) w(rnog212b) = k(rnog212b) * c(sN2) * c(sO) w(rnog214b) = k(rnog214b) * c(sN2) * c(sOH) end subroutine get_reaction_rates ! --- Production rates --- ! subroutine get_production_rates(cdot,w) implicit none real(pr), dimension(nspec) :: cdot real(pr), dimension(nreac) :: w cdot(sN2) = 0.0_pr + & w(rnog162f) + & w(rnog170f) + & w(rnog188) - & w(rnog200) - & w(r201f) + & w(r201f) - & w(r202f) + & w(r202f) + & w(rnog203f) + & w(rnog204f) + & w(rnog205) + & w(rnog206) + & w(rnog208f) + & w(rnog209f) + & w(rnog210f) + & w(rnog211f) + & w(rnog212f) + & w(rnog214f) - & w(rnog162b) - & w(rnog170b) - & w(r201b) + & w(r201b) - & w(r202b) + & w(r202b) - & w(rnog203b) - & w(rnog204b) - & w(rnog208b) - & w(rnog209b) - & w(rnog210b) - & w(rnog211b) - & w(rnog212b) - & w(rnog214b) cdot(sH) = 0.0_pr - 2_pr * & w(r1) - 2_pr * & w(r2) + & w(r4f) - & w(r5f) + & w(r7f) - 2_pr * & w(r9) - & w(r10f) - & w(r11f) - & w(r12f) - & w(r13f) - & w(r15) - & w(r19f) - & w(r20f) - & w(r24f) - & w(r25) + & w(r27) + & w(r28f) + & w(r29) - & w(r30f) + & w(r32) + & w(r33) + & w(r37) + & w(r38) + & w(r40f) - & w(r41) - & w(r43f) + & w(r45) + & w(r47) + & w(r50) + & w(r51f) + & w(r53) + & w(r54f) + & w(r57) + & w(r59) - & w(r63f) + & w(r64) + & w(r65) + & w(r68) - & w(r70f) + & w(r76f) - & w(r81) + & w(r82) + & w(r83f) + & w(r85f) - & w(r91f) - & w(r93f) + & w(r94) - & w(r97) - & w(r98) - & w(r100f) cdot(sH) = cdot(sH) - & w(r102f) - & w(r105f) + & w(r112f) - & w(r113f) - & w(r116) - & w(r118) - & w(r119f) - & w(r124f) - & w(r126) - & w(r127) - & w(r131f) - & w(r134f) + & w(r138) + & w(rnog140f) - & w(rnog143f) + & w(rnog144f) + & w(rnog147f) - & w(rnog149f) + & w(rnog152f) + & w(rnog153) + & w(rnog158f) + & w(rnog161f) - & w(rnog164f) + & w(rnog166) + & w(rnog167f) + & w(rnog169) - & w(rnog171f) - & w(rnog175f) + & w(rnog178f) + & w(rnog179) + & w(rnog180f) - & w(rnog186f) + & w(rnog187) - & w(rnog194f) - & w(rnog195f) - & w(rnog196) - & w(rnog197) - & w(rnog198) + & w(rnog198) - & w(rnog199) + & w(rnog199) - & w(r202f) + & w(rnog204f) - & w(rnog206) + & w(rnog209f) - & w(rnog214f) - & w(r4b) + & w(r5b) - & w(r7b) + & w(r10b) cdot(sH) = cdot(sH) + & w(r11b) + & w(r12b) + & w(r13b) + & w(r19b) + & w(r20b) + & w(r24b) - & w(r28b) + & w(r30b) - & w(r40b) + & w(r43b) - & w(r51b) - & w(r54b) + & w(r63b) + & w(r70b) - & w(r76b) - & w(r83b) - & w(r85b) + & w(r91b) + & w(r93b) + & w(r100b) + & w(r102b) + & w(r105b) - & w(r112b) + & w(r113b) + & w(r119b) + & w(r124b) + & w(r131b) + & w(r134b) - & w(rnog140b) + & w(rnog143b) - & w(rnog144b) - & w(rnog147b) + & w(rnog149b) - & w(rnog152b) - & w(rnog158b) - & w(rnog161b) + & w(rnog164b) - & w(rnog167b) + & w(rnog171b) + & w(rnog175b) - & w(rnog178b) - & w(rnog180b) + & w(rnog186b) + & w(rnog194b) + & w(rnog195b) + & w(r202b) - & w(rnog204b) - & w(rnog209b) + & w(rnog214b) cdot(sH2) = 0.0_pr + & w(r1) + & w(r2) - & w(r4f) - & w(r7f) + & w(r9) + & w(r19f) + & w(r24f) - & w(r28f) + & w(r30f) - & w(r40f) + & w(r43f) + & w(r48) - & w(r51f) + & w(r70f) + & w(r81) + & w(r91f) + & w(r96) + & w(r97) + & w(r105f) + & w(r118) + & w(r119f) + & w(r122) + & w(r126) + & w(r131f) + & w(rnog141) + & w(rnog143f) + & w(rnog146f) + & w(rnog149f) + & w(rnog171f) + & w(rnog194f) + & w(rnog206) + & w(r4b) + & w(r7b) - & w(r19b) - & w(r24b) + & w(r28b) - & w(r30b) + & w(r40b) - & w(r43b) + & w(r51b) - & w(r70b) - & w(r91b) - & w(r105b) - & w(r119b) - & w(r131b) - & w(rnog143b) - & w(rnog146b) - & w(rnog149b) - & w(rnog171b) - & w(rnog194b) cdot(sH2) = cdot(sH2) cdot(sO) = 0.0_pr - 2_pr * & w(r3) - & w(r4f) + & w(r6f) + & w(r13f) + & w(r15) - & w(r16f) - & w(r23) + & w(r26) - & w(r29) + & w(r31) - & w(r38) - & w(r47) - & w(r48) - & w(r59) + & w(r61f) - & w(r72f) + & w(r77f) - & w(r78) - & w(r80) - & w(r82) - & w(r92) - & w(r103) - & w(r104) - & w(r112f) - & w(r114) - & w(r123) - & w(r128) - & w(r130) - & w(r138) + & w(rnog139f) - & w(rnog144f) + & w(rnog145f) - & w(rnog150f) - & w(rnog152f) + & w(rnog159) + & w(rnog162f) - & w(rnog163f) - & w(rnog173f) - & w(rnog176f) - & w(rnog178f) - & w(rnog181) - & w(rnog184) - & w(rnog190) - & w(rnog193f) - & w(rnog205) - & w(rnog207f) - & w(rnog211f) + & w(rnog212f) - & w(rnog213) + & w(r4b) cdot(sO) = cdot(sO) - & w(r6b) - & w(r13b) + & w(r16b) - & w(r61b) + & w(r72b) - & w(r77b) + & w(r112b) - & w(rnog139b) + & w(rnog144b) - & w(rnog145b) + & w(rnog150b) + & w(rnog152b) - & w(rnog162b) + & w(rnog163b) + & w(rnog173b) + & w(rnog176b) + & w(rnog178b) + & w(rnog193b) + & w(rnog207b) + & w(rnog211b) - & w(rnog212b) cdot(sO2) = 0.0_pr + & w(r3) - & w(r10f) - & w(r11f) - & w(r12f) - & w(r13f) + & w(r14f) + & w(r16f) + & w(r17) + & w(r18) + & w(r19f) - & w(r26) - & w(r31) - & w(r42) - & w(r44) - & w(r50) - & w(r61f) - & w(r62) + & w(r67) - & w(r77f) - & w(r86) - & w(r90f) - & w(r101) - & w(r115) - & w(r125f) - & w(r135) - & w(rnog139f) - & w(rnog145f) - & w(rnog148) - & w(rnog172f) + & w(rnog176f) - & w(rnog182) - & w(r202f) - & w(rnog203f) + & w(rnog211f) + & w(r10b) + & w(r11b) + & w(r12b) + & w(r13b) - & w(r14b) - & w(r16b) - & w(r19b) + & w(r61b) + & w(r77b) + & w(r90b) + & w(r125b) + & w(rnog139b) + & w(rnog145b) + & w(rnog172b) - & w(rnog176b) + & w(r202b) cdot(sO2) = cdot(sO2) + & w(rnog203b) - & w(rnog211b) cdot(sOH) = 0.0_pr + & w(r4f) - & w(r5f) - 2_pr * & w(r6f) - & w(r7f) - 2_pr * & w(r8f) + & w(r13f) - & w(r14f) + & w(r16f) + 2_pr * & w(r20f) - & w(r21f) - & w(r22) + & w(r23) + & w(r25) - & w(r27) - & w(r32) + & w(r36) - & w(r37) - & w(r39f) + & w(r42) - & w(r45) + & w(r50) + & w(r52) - & w(r55f) - & w(r58f) + & w(r62) - & w(r66f) - & w(r71f) + & w(r72f) + & w(r74) - & w(r76f) + & w(r80) - & w(r84) - & w(r89) + & w(r92) - & w(r99) + & w(r102f) + & w(r103) + & w(r104) - & w(r106f) - & w(r111) - & w(r117) - & w(r121f) - & w(r129f) + & w(r130) + & w(r135) - & w(rnog140f) - & w(rnog142f) - & w(rnog147f) + & w(rnog148) + & w(rnog150f) cdot(sOH) = cdot(sOH) - & w(rnog151f) + & w(rnog154) + & w(rnog156) + & w(rnog157f) + & w(rnog170f) + & w(rnog173f) - & w(rnog174f) + & w(rnog175f) - & w(rnog177) - & w(rnog179) - & w(rnog180f) - & w(rnog187) - & w(rnog189f) - & w(rnog191f) + & w(rnog193f) + & w(rnog197) + & w(rnog205) - & w(rnog208f) - & w(rnog210f) + & w(rnog214f) - & w(r4b) + & w(r5b) + 2_pr * & w(r6b) + & w(r7b) + 2_pr * & w(r8b) - & w(r13b) + & w(r14b) - & w(r16b) - 2_pr * & w(r20b) + & w(r21b) + & w(r39b) + & w(r55b) + & w(r58b) + & w(r66b) + & w(r71b) - & w(r72b) + & w(r76b) - & w(r102b) + & w(r106b) + & w(r121b) + & w(r129b) + & w(rnog140b) + & w(rnog142b) + & w(rnog147b) - & w(rnog150b) + & w(rnog151b) - & w(rnog157b) - & w(rnog170b) - & w(rnog173b) + & w(rnog174b) cdot(sOH) = cdot(sOH) - & w(rnog175b) + & w(rnog180b) + & w(rnog189b) + & w(rnog191b) - & w(rnog193b) + & w(rnog208b) + & w(rnog210b) - & w(rnog214b) cdot(sH2O) = 0.0_pr + & w(r5f) + & w(r6f) + & w(r7f) - & w(r9) + & w(r9) - & w(r11f) + & w(r11f) + & w(r14f) + & w(r15) + & w(r21f) + & w(r22) + & w(r25) - & w(r33) + & w(r39f) + & w(r44) - & w(r46f) + & w(r46f) - & w(r49f) + & w(r55f) + & w(r58f) + & w(r71f) + & w(r84) - & w(r85f) + & w(r85f) + & w(r89) + & w(r99) + & w(r100f) + & w(r106f) + & w(r117) + & w(r121f) + & w(r129f) + & w(rnog142f) - & w(rnog146f) + & w(rnog151f) + & w(rnog168) + & w(rnog174f) + & w(rnog191f) + & w(rnog208f) - & w(r5b) - & w(r6b) - & w(r7b) - & w(r11b) + & w(r11b) - & w(r14b) - & w(r21b) - & w(r39b) - & w(r46b) + & w(r46b) + & w(r49b) - & w(r55b) cdot(sH2O) = cdot(sH2O) - & w(r58b) - & w(r71b) - & w(r85b) + & w(r85b) - & w(r100b) - & w(r106b) - & w(r121b) - & w(r129b) - & w(rnog142b) + & w(rnog146b) - & w(rnog151b) - & w(rnog174b) - & w(rnog191b) - & w(rnog208b) cdot(sH2O2) = 0.0_pr + & w(r8f) + & w(r17) + & w(r18) - & w(r21f) - & w(r22) - & w(r23) - & w(r24f) - & w(r25) - & w(r56f) + & w(r88) - & w(r8b) + & w(r21b) + & w(r24b) + & w(r56b) cdot(sHO2) = 0.0_pr + & w(r10f) + & w(r11f) + & w(r12f) - & w(r14f) - & w(r15) - & w(r16f) - 2_pr * & w(r17) - 2_pr * & w(r18) - & w(r19f) - & w(r20f) + & w(r21f) + & w(r22) + & w(r23) + & w(r24f) - & w(r36) - & w(r52) + & w(r56f) - & w(r67) - & w(r74) + & w(r86) - & w(r88) + & w(r90f) + & w(r101) + & w(r125f) - & w(rnog157f) + & w(rnog172f) + & w(r202f) + & w(rnog203f) + & w(rnog210f) - & w(r10b) - & w(r11b) - & w(r12b) + & w(r14b) + & w(r16b) + & w(r19b) + & w(r20b) - & w(r21b) - & w(r24b) - & w(r56b) - & w(r90b) - & w(r125b) + & w(rnog157b) - & w(rnog172b) - & w(r202b) - & w(rnog203b) - & w(rnog210b) !cdot(sC) = 0.0_pr cdot(sCO) = 0.0_pr + & w(r26) + & w(r27) + & w(r29) + & w(r44) + & w(r48) + & w(r50) - & w(r74) - & w(r75f) - & w(r76f) - & w(r77f) - & w(r78) - & w(r79f) + & w(r79f) + & w(r80) + & w(r81) + & w(r83f) + & w(r84) + & w(r85f) + & w(r86) + & w(r87) + & w(r96) + & w(r109) + & w(r110) + & w(r111) + & w(r114) + & w(r134f) + 2_pr * & w(r135) + 2_pr * & w(r138) + & w(rnog155f) + & w(rnog165) + & w(rnog177) + & w(rnog181) + & w(rnog183f) + & w(rnog184) + & w(rnog185) + & w(rnog186f) + & w(rnog187) + & w(rnog192f) + & w(rnog195f) + & w(rnog196) + & w(r75b) + & w(r76b) + & w(r77b) - & w(r79b) + & w(r79b) - & w(r83b) - & w(r85b) - & w(r134b) - & w(rnog155b) - & w(rnog183b) cdot(sCO) = cdot(sCO) - & w(rnog186b) - & w(rnog192b) - & w(rnog195b) !cdot(sCH) = 0.0_pr !cdot(sCH2) = 0.0_pr !cdot(sHCO) = 0.0_pr cdot(sCH2O) = 0.0_pr + & w(r33) + & w(r36) + & w(r37) + & w(r45) + & w(r59) + & w(r62) - & w(r88) - & w(r89) - & w(r90f) - & w(r91f) - & w(r92) - & w(r93f) - & w(r94) - & w(r95) - & w(r96) + & w(r97) + & w(r99) + & w(r101) + & w(r103) + & w(r110) + & w(r115) + & w(r128) + & w(r90b) + & w(r91b) + & w(r93b) cdot(sCH3) = 0.0_pr + & w(r40f) + & w(r41) + & w(r51f) - & w(r52) - & w(r53) - 2_pr * & w(r54f) - & w(r55f) - & w(r56f) - & w(r57) - & w(r58f) - & w(r59) - 2_pr * & w(r60f) - & w(r61f) - & w(r62) - & w(r63f) - & w(r64) - & w(r65) - & w(r66f) - & w(r67) + 2_pr * & w(r69f) + & w(r70f) + & w(r71f) + & w(r72f) + 2_pr * & w(r73f) - & w(r87) - & w(r95) + & w(r102f) - & w(r107f) + & w(r111) - & w(r120f) + & w(r123) + & w(r128) - & w(r132f) + & w(r133) - & w(rnog141) - & w(rnog168) - & w(r40b) - & w(r51b) + 2_pr * & w(r54b) + & w(r55b) + & w(r56b) + & w(r58b) + 2_pr * & w(r60b) + & w(r61b) + & w(r63b) + & w(r66b) - 2_pr * & w(r69b) - & w(r70b) - & w(r71b) - & w(r72b) cdot(sCH3) = cdot(sCH3) - 2_pr * & w(r73b) - & w(r102b) + & w(r107b) + & w(r120b) + & w(r132b) !cdot(s1XCH2) = 0.0_pr cdot(sCH3OH) = 0.0_pr + & w(r49f) + & w(r66f) + & w(r98) - & w(r104) - & w(r105f) - & w(r106f) - & w(r107f) - & w(r49b) - & w(r66b) + & w(r105b) + & w(r106b) + & w(r107b) !cdot(sCH3O) = 0.0_pr cdot(sC2H2) = 0.0_pr + & w(r53) - & w(r111) - & w(r112f) - & w(r113f) - & w(r114) + & w(r117) + & w(r118) + & w(r122) + & w(r112b) + & w(r113b) !cdot(sC2H5) = 0.0_pr cdot(sCH4) = 0.0_pr + & w(r56f) + & w(r63f) + & w(r67) - & w(r68) - & w(r69f) - & w(r70f) - & w(r71f) - & w(r72f) - & w(r73f) + & w(r87) + & w(r95) + & w(r107f) + & w(r120f) + & w(r132f) - & w(r56b) - & w(r63b) + & w(r69b) + & w(r70b) + & w(r71b) + & w(r72b) + & w(r73b) - & w(r107b) - & w(r120b) - & w(r132b) !cdot(sC2H3) = 0.0_pr cdot(sC2H6) = 0.0_pr + & w(r60f) + & w(r127) - & w(r129f) - & w(r130) - & w(r131f) - & w(r132f) - & w(r133) - & w(r60b) + & w(r129b) + & w(r131b) + & w(r132b) cdot(sC2H4) = 0.0_pr + & w(r64) + & w(r65) + & w(r68) + & w(r116) - & w(r119f) - & w(r120f) - & w(r121f) - & w(r122) - & w(r123) - & w(r124f) + & w(r125f) + & w(r126) + & w(r119b) + & w(r120b) + & w(r121b) + & w(r124b) - & w(r125b) cdot(sCO2) = 0.0_pr + & w(r74) + & w(r76f) + & w(r77f) + & w(r78) + & w(r82) - & w(r108f) + & w(r108f) - & w(r109) - & w(r110) + & w(rnog182) + & w(rnog188) + & w(rnog189f) + & w(rnog190) - & w(r76b) - & w(r77b) - & w(r108b) + & w(r108b) - & w(rnog189b) !cdot(sHCCO) = 0.0_pr !cdot(sN) = 0.0_pr cdot(sNO) = 0.0_pr + & w(rnog139f) + & w(rnog140f) + & w(rnog144f) + & w(rnog148) - & w(rnog153) - & w(rnog154) - & w(rnog155f) - & w(rnog156) - & w(rnog157f) - & w(rnog158f) - & w(rnog159) - & w(rnog160) - & w(rnog161f) - & w(rnog162f) - & w(rnog163f) - & w(rnog164f) - & w(rnog165) - & w(rnog166) - & w(rnog167f) - & w(rnog168) - & w(rnog169) - & w(rnog170f) + & w(rnog171f) + & w(rnog172f) + & w(rnog173f) + & w(rnog174f) + & w(rnog175f) + & w(rnog176f) + & w(rnog182) + & w(rnog184) - & w(rnog185) + & w(rnog187) - & w(rnog188) + & w(rnog207f) + 2_pr * & w(rnog213) - & w(rnog139b) - & w(rnog140b) - & w(rnog144b) + & w(rnog155b) + & w(rnog157b) + & w(rnog158b) + & w(rnog161b) + & w(rnog162b) + & w(rnog163b) + & w(rnog164b) + & w(rnog167b) + & w(rnog170b) - & w(rnog171b) - & w(rnog172b) - & w(rnog173b) cdot(sNO) = cdot(sNO) - & w(rnog174b) - & w(rnog175b) - & w(rnog176b) - & w(rnog207b) cdot(sHCN) = 0.0_pr + & w(rnog141) + & w(rnog154) + & w(rnog156) + & w(rnog159) + & w(rnog168) - & w(rnog177) - & w(rnog178f) - & w(rnog179) - & w(rnog180f) - & w(rnog181) + & w(rnog197) + & w(rnog200) + & w(rnog178b) + & w(rnog180b) !cdot(sNH) = 0.0_pr !cdot(sHNO) = 0.0_pr !cdot(sNH2) = 0.0_pr !cdot(sNCO) = 0.0_pr !cdot(sHCNO) = 0.0_pr cdot(sNO2) = 0.0_pr + & w(rnog157f) + & w(rnog163f) - & w(rnog175f) - & w(rnog176f) - & w(rnog157b) - & w(rnog163b) + & w(rnog175b) + & w(rnog176b) cdot(sN2O) = 0.0_pr + & w(rnog158f) + & w(rnog185) - & w(rnog210f) - & w(rnog211f) - & w(rnog212f) - & w(rnog213) - & w(rnog214f) - & w(rnog158b) + & w(rnog210b) + & w(rnog211b) + & w(rnog212b) + & w(rnog214b) !cdot(sHNCO) = 0.0_pr !cdot(sHOCN) = 0.0_pr !cdot(sNNH) = 0.0_pr end subroutine get_production_rates ! --- Actual reactions --- ! subroutine reaction_expressions implicit none reacexp(1) = '2 H + M38 -> H2 + M38' reacexp(2) = '2 H + M5 -> H2 + M5' reacexp(3) = '2 O + M1 -> O2 + M1' reacexp(4) = 'O + H2 -> H + OH' reacexp(5) = 'H + OH + M6 -> H2O + M6' reacexp(6) = '2 OH -> O + H2O' reacexp(7) = 'OH + H2 -> H + H2O' reacexp(8) = '2 OH + M20 -> H2O2 + M20' reacexp(9) = '2 H + H2O -> H2 + H2O' reacexp(10) = 'H + O2 + M4 -> HO2 + M4' reacexp(11) = 'H + O2 + H2O -> HO2 + H2O' reacexp(12) = 'H + O2 + M37 -> HO2 + M37' reacexp(13) = 'H + O2 -> O + OH' reacexp(14) = 'OH + HO2 -> O2 + H2O' reacexp(15) = 'H + HO2 -> O + H2O' reacexp(16) = 'O + HO2 -> OH + O2' reacexp(17) = '2 HO2 -> O2 + H2O2' reacexp(18) = '2 HO2 -> O2 + H2O2' reacexp(19) = 'H + HO2 -> O2 + H2' reacexp(20) = 'H + HO2 -> 2 OH' reacexp(21) = 'OH + H2O2 -> HO2 + H2O' reacexp(22) = 'OH + H2O2 -> HO2 + H2O' reacexp(23) = 'O + H2O2 -> OH + HO2' reacexp(24) = 'H + H2O2 -> HO2 + H2' reacexp(25) = 'H + H2O2 -> OH + H2O' reacexp(26) = 'C + O2 -> O + CO' reacexp(27) = 'OH + C -> H + CO' reacexp(28) = 'CH + H2 -> H + CH2' reacexp(29) = 'O + CH -> H + CO' reacexp(30) = 'H + CH -> C + H2' reacexp(31) = 'CH + O2 -> O + HCO' reacexp(32) = 'OH + CH -> H + HCO' reacexp(33) = 'CH + H2O -> H + CH2O' reacexp(34) = 'HO2 + CH2 -> OH + CH2O' reacexp(35) = 'OH + CH2 -> H + CH2O' reacexp(36) = 'O + CH2 -> H + HCO' reacexp(37) = 'OH + CH2 -> CH + H2O' reacexp(38) = 'CH2 + H2 -> H + CH3' reacexp(39) = 'H + CH2 + M7 -> CH3 + M7' reacexp(40) = 'CH2 + O2 -> OH + HCO' reacexp(41) = 'H + 1-CH2 -> CH + H2' reacexp(42) = '1-CH2 + O2 -> CO + H2O' reacexp(43) = 'OH + 1-CH2 -> H + CH2O' reacexp(44) = '1-CH2 + H2O -> CH2 + H2O' reacexp(45) = 'O + 1-CH2 -> H + HCO' reacexp(46) = 'O + 1-CH2 -> H2 + CO' reacexp(47) = '1-CH2 + H2O + M24 -> CH3OH + M24' reacexp(48) = '1-CH2 + O2 -> H + OH + CO' reacexp(49) = '1-CH2 + H2 -> CH3 + H' reacexp(50) = 'HO2 + CH3 -> OH + CH3O' reacexp(51) = 'C + CH3 -> H + C2H2' reacexp(52) = '2 CH3 -> H + C2H5' reacexp(53) = 'OH + CH3 -> 1-CH2 + H2O' reacexp(54) = 'CH3 + H2O2 -> HO2 + CH4' reacexp(55) = 'CH + CH3 -> H + C2H3' reacexp(56) = 'OH + CH3 -> CH2 + H2O' reacexp(57) = 'O + CH3 -> H + CH2O' reacexp(58) = '2 CH3 + M25 -> C2H6 + M25' reacexp(59) = 'CH3 + O2 -> O + CH3O' reacexp(60) = 'CH3 + O2 -> OH + CH2O' reacexp(61) = 'H + CH3 + M8 -> CH4 + M8' reacexp(62) = 'CH2 + CH3 -> H + C2H4' reacexp(63) = '1-CH2 + CH3 -> H + C2H4' reacexp(64) = 'OH + CH3 + M21 -> CH3OH + M21' reacexp(65) = 'HO2 + CH3 -> O2 + CH4' reacexp(66) = 'CH + CH4 -> H + C2H4' reacexp(67) = 'CH2 + CH4 -> 2 CH3' reacexp(68) = 'H + CH4 -> CH3 + H2' reacexp(69) = 'OH + CH4 -> CH3 + H2O' reacexp(70) = 'O + CH4 -> OH + CH3' reacexp(71) = '1-CH2 + CH4 -> 2 CH3' reacexp(72) = 'HO2 + CO -> OH + CO2' reacexp(73) = 'CH + CO + M22 -> HCCO + M22' reacexp(74) = 'OH + CO -> H + CO2' reacexp(75) = 'O2 + CO -> O + CO2' reacexp(76) = 'O + CO + M3 -> CO2 + M3' reacexp(77) = '1-CH2 + CO -> CH2 + CO' reacexp(78) = 'O + HCO -> OH + CO' reacexp(79) = 'H + HCO -> H2 + CO' reacexp(80) = 'O + HCO -> H + CO2' reacexp(81) = 'HCO + M26 -> H + CO + M26' reacexp(82) = 'OH + HCO -> H2O + CO' reacexp(83) = 'HCO + H2O -> H + CO + H2O' reacexp(84) = 'HCO + O2 -> HO2 + CO' reacexp(85) = 'CH3 + HCO -> CH4 + CO' reacexp(86) = 'HO2 + CH2O -> HCO + H2O2' reacexp(87) = 'OH + CH2O -> HCO + H2O' reacexp(88) = 'O2 + CH2O -> HO2 + HCO' reacexp(89) = 'H + CH2O -> HCO + H2' reacexp(90) = 'O + CH2O -> OH + HCO' reacexp(91) = 'H + CH2O + M11 -> CH3O + M11' reacexp(92) = 'CH2O + M9 -> HCO + H + M9' reacexp(93) = 'CH3 + CH2O -> HCO + CH4' reacexp(94) = 'CH2O + M19 -> CO + H2 + M19' reacexp(95) = 'H + CH3O -> H2 + CH2O' reacexp(96) = 'H + CH3O + M13 -> CH3OH + M13' reacexp(97) = 'OH + CH3O -> H2O + CH2O' reacexp(98) = 'H + CH3O -> 1-CH2 + H2O' reacexp(99) = 'CH3O + O2 -> HO2 + CH2O' reacexp(100) = 'H + CH3O -> OH + CH3' reacexp(101) = 'O + CH3O -> OH + CH2O' reacexp(102) = 'O + CH3OH -> OH + CH3O' reacexp(103) = 'H + CH3OH -> CH3O + H2' reacexp(104) = 'OH + CH3OH -> CH3O + H2O' reacexp(105) = 'CH3 + CH3OH -> CH3O + CH4' reacexp(106) = '1-CH2 + CO2 -> CH2 + CO2' reacexp(107) = 'CH + CO2 -> HCO + CO' reacexp(108) = '1-CH2 + CO2 -> CO + CH2O' reacexp(109) = 'OH + C2H2 -> CH3 + CO' reacexp(110) = 'O + C2H2 -> H + HCCO' reacexp(111) = 'H + C2H2 + M15 -> C2H3 + M15' reacexp(112) = 'O + C2H2 -> CO + CH2' reacexp(113) = 'C2H3 + O2 -> HCO + CH2O' reacexp(114) = 'H + C2H3 + M16 -> C2H4 + M16' reacexp(115) = 'OH + C2H3 -> H2O + C2H2' reacexp(116) = 'H + C2H3 -> H2 + C2H2' reacexp(117) = 'H + C2H4 -> C2H3 + H2' reacexp(118) = 'CH3 + C2H4 -> C2H3 + CH4' reacexp(119) = 'OH + C2H4 -> C2H3 + H2O' reacexp(120) = 'C2H4 + M27 -> H2 + C2H2 + M27' reacexp(121) = 'O + C2H4 -> CH3 + HCO' reacexp(122) = 'H + C2H4 + M17 -> C2H5 + M17' reacexp(123) = 'C2H5 + O2 -> HO2 + C2H4' reacexp(124) = 'H + C2H5 -> H2 + C2H4' reacexp(125) = 'H + C2H5 + M18 -> C2H6 + M18' reacexp(126) = 'O + C2H5 -> CH3 + CH2O' reacexp(127) = 'OH + C2H6 -> C2H5 + H2O' reacexp(128) = 'O + C2H6 -> OH + C2H5' reacexp(129) = 'H + C2H6 -> C2H5 + H2' reacexp(130) = 'CH3 + C2H6 -> C2H5 + CH4' reacexp(131) = '1-CH2 + C2H6 -> CH3 + C2H5' reacexp(132) = 'H + HCCO -> 1-CH2 + CO' reacexp(133) = 'HCCO + O2 -> OH + 2 CO' reacexp(134) = 'O + HCCO -> H + 2 CO' reacexp(135) = 'N + O2 -> NO + O' reacexp(136) = 'N + OH -> NO + H' reacexp(137) = 'CH3 + N -> HCN + H2' reacexp(138) = 'NH + OH -> N + H2O' reacexp(139) = 'NH + H -> N + H2' reacexp(140) = 'NH + O -> NO + H' reacexp(141) = 'NH + O2 -> HNO + O' reacexp(142) = 'NH + H2O -> HNO + H2' reacexp(143) = 'NH + OH -> HNO + H' reacexp(144) = 'NH + O2 -> NO + OH' reacexp(145) = 'NH2 + H -> NH + H2' reacexp(146) = 'NH2 + O -> OH + NH' reacexp(147) = 'NH2 + OH -> NH + H2O' reacexp(148) = 'NH2 + O -> H + HNO' reacexp(149) = 'CH + NO -> H + NCO' reacexp(150) = 'CH2 + NO -> OH + HCN' reacexp(151) = 'HCCO + NO -> HCNO + CO' reacexp(152) = '1-CH2 + NO -> OH + HCN' reacexp(153) = 'HO2 + NO -> NO2 + OH' reacexp(154) = 'NH + NO -> N2O + H' reacexp(155) = 'CH + NO -> HCN + O' reacexp(156) = 'CH + NO -> N + HCO' reacexp(157) = '1-CH2 + NO -> H + HCNO' reacexp(158) = 'N + NO -> N2 + O' reacexp(159) = 'NO + O + M29 -> NO2 + M29' reacexp(160) = 'H + NO + M31 -> HNO + M31' reacexp(161) = 'C + NO -> CO + N' reacexp(162) = 'CH2 + NO -> H + HNCO' reacexp(163) = 'CH2 + NO -> H + HCNO' reacexp(164) = 'CH3 + NO -> HCN + H2O' reacexp(165) = '1-CH2 + NO -> H + HNCO' reacexp(166) = 'NH + NO -> N2 + OH' reacexp(167) = 'HNO + H -> H2 + NO' reacexp(168) = 'HNO + O2 -> HO2 + NO' reacexp(169) = 'HNO + O -> NO + OH' reacexp(170) = 'HNO + OH -> NO + H2O' reacexp(171) = 'NO2 + H -> NO + OH' reacexp(172) = 'NO2 + O -> NO + O2' reacexp(173) = 'HCN + OH -> NH2 + CO' reacexp(174) = 'HCN + O -> NCO + H' reacexp(175) = 'HCN + OH -> HNCO + H' reacexp(176) = 'HCN + OH -> HOCN + H' reacexp(177) = 'HCN + O -> NH + CO' reacexp(178) = 'NCO + O2 -> NO + CO2' reacexp(179) = 'NCO + M32 -> N + CO + M32' reacexp(180) = 'NCO + O -> NO + CO' reacexp(181) = 'NCO + NO -> N2O + CO' reacexp(182) = 'NCO + H -> NH + CO' reacexp(183) = 'NCO + OH -> NO + H + CO' reacexp(184) = 'NCO + NO -> N2 + CO2' reacexp(185) = 'HNCO + OH -> NH2 + CO2' reacexp(186) = 'HNCO + O -> NH + CO2' reacexp(187) = 'HNCO + OH -> NCO + H2O' reacexp(188) = 'HNCO + M36 -> NH + CO + M36' reacexp(189) = 'HNCO + O -> NCO + OH' reacexp(190) = 'HNCO + H -> H2 + NCO' reacexp(191) = 'HNCO + H -> NH2 + CO' reacexp(192) = 'HCNO + H -> NH2 + CO' reacexp(193) = 'HCNO + H -> OH + HCN' reacexp(194) = 'HCNO + H -> H + HNCO' reacexp(195) = 'HOCN + H -> H + HNCO' reacexp(196) = 'CH + N2 -> HCN + N' reacexp(197) = '1-CH2 + N2 -> CH2 + N2' reacexp(198) = 'H + O2 + N2 -> HO2 + N2' reacexp(199) = 'NNH + O2 -> HO2 + N2' reacexp(200) = 'NNH -> N2 + H' reacexp(201) = 'NNH + O -> OH + N2' reacexp(202) = 'NNH + H -> H2 + N2' reacexp(203) = 'NNH + O -> NH + NO' reacexp(204) = 'NNH + OH -> H2O + N2' reacexp(205) = 'NNH + M30 -> N2 + H + M30' reacexp(206) = 'N2O + OH -> N2 + HO2' reacexp(207) = 'N2O + O -> N2 + O2' reacexp(208) = 'N2O + M28 -> N2 + O + M28' reacexp(209) = 'N2O + O -> 2 NO' reacexp(210) = 'N2O + H -> N2 + OH' reacexp(211) = 'Reverse of O + H2 -> H + OH' reacexp(212) = 'Reverse of H + OH + M6 -> H2O + M6' reacexp(213) = 'Reverse of 2 OH -> O + H2O' reacexp(214) = 'Reverse of OH + H2 -> H + H2O' reacexp(215) = 'Reverse of 2 OH + M20 -> H2O2 + M20' reacexp(216) = 'Reverse of H + O2 + M4 -> HO2 + M4' reacexp(217) = 'Reverse of H + O2 + H2O -> HO2 + H2O' reacexp(218) = 'Reverse of H + O2 + M37 -> HO2 + M37' reacexp(219) = 'Reverse of H + O2 -> O + OH' reacexp(220) = 'Reverse of OH + HO2 -> O2 + H2O' reacexp(221) = 'Reverse of O + HO2 -> OH + O2' reacexp(222) = 'Reverse of H + HO2 -> O2 + H2' reacexp(223) = 'Reverse of H + HO2 -> 2 OH' reacexp(224) = 'Reverse of OH + H2O2 -> HO2 + H2O' reacexp(225) = 'Reverse of H + H2O2 -> HO2 + H2' reacexp(226) = 'Reverse of CH + H2 -> H + CH2' reacexp(227) = 'Reverse of H + CH -> C + H2' reacexp(228) = 'Reverse of OH + CH2 -> CH + H2O' reacexp(229) = 'Reverse of CH2 + H2 -> H + CH3' reacexp(230) = 'Reverse of H + 1-CH2 -> CH + H2' reacexp(231) = 'Reverse of 1-CH2 + H2O -> CH2 + H2O' reacexp(232) = 'Reverse of 1-CH2 + H2O + M24 -> CH3OH + M24' reacexp(233) = 'Reverse of 1-CH2 + H2 -> CH3 + H' reacexp(234) = 'Reverse of 2 CH3 -> H + C2H5' reacexp(235) = 'Reverse of OH + CH3 -> 1-CH2 + H2O' reacexp(236) = 'Reverse of CH3 + H2O2 -> HO2 + CH4' reacexp(237) = 'Reverse of OH + CH3 -> CH2 + H2O' reacexp(238) = 'Reverse of 2 CH3 + M25 -> C2H6 + M25' reacexp(239) = 'Reverse of CH3 + O2 -> O + CH3O' reacexp(240) = 'Reverse of H + CH3 + M8 -> CH4 + M8' reacexp(241) = 'Reverse of OH + CH3 + M21 -> CH3OH + M21' reacexp(242) = 'Reverse of CH2 + CH4 -> 2 CH3' reacexp(243) = 'Reverse of H + CH4 -> CH3 + H2' reacexp(244) = 'Reverse of OH + CH4 -> CH3 + H2O' reacexp(245) = 'Reverse of O + CH4 -> OH + CH3' reacexp(246) = 'Reverse of 1-CH2 + CH4 -> 2 CH3' reacexp(247) = 'Reverse of CH + CO + M22 -> HCCO + M22' reacexp(248) = 'Reverse of OH + CO -> H + CO2' reacexp(249) = 'Reverse of O2 + CO -> O + CO2' reacexp(250) = 'Reverse of 1-CH2 + CO -> CH2 + CO' reacexp(251) = 'Reverse of HCO + M26 -> H + CO + M26' reacexp(252) = 'Reverse of HCO + H2O -> H + CO + H2O' reacexp(253) = 'Reverse of O2 + CH2O -> HO2 + HCO' reacexp(254) = 'Reverse of H + CH2O -> HCO + H2' reacexp(255) = 'Reverse of H + CH2O + M11 -> CH3O + M11' reacexp(256) = 'Reverse of H + CH3O -> 1-CH2 + H2O' reacexp(257) = 'Reverse of H + CH3O -> OH + CH3' reacexp(258) = 'Reverse of H + CH3OH -> CH3O + H2' reacexp(259) = 'Reverse of OH + CH3OH -> CH3O + H2O' reacexp(260) = 'Reverse of CH3 + CH3OH -> CH3O + CH4' reacexp(261) = 'Reverse of 1-CH2 + CO2 -> CH2 + CO2' reacexp(262) = 'Reverse of O + C2H2 -> H + HCCO' reacexp(263) = 'Reverse of H + C2H2 + M15 -> C2H3 + M15' reacexp(264) = 'Reverse of H + C2H4 -> C2H3 + H2' reacexp(265) = 'Reverse of CH3 + C2H4 -> C2H3 + CH4' reacexp(266) = 'Reverse of OH + C2H4 -> C2H3 + H2O' reacexp(267) = 'Reverse of H + C2H4 + M17 -> C2H5 + M17' reacexp(268) = 'Reverse of C2H5 + O2 -> HO2 + C2H4' reacexp(269) = 'Reverse of OH + C2H6 -> C2H5 + H2O' reacexp(270) = 'Reverse of H + C2H6 -> C2H5 + H2' reacexp(271) = 'Reverse of CH3 + C2H6 -> C2H5 + CH4' reacexp(272) = 'Reverse of H + HCCO -> 1-CH2 + CO' reacexp(273) = 'Reverse of N + O2 -> NO + O' reacexp(274) = 'Reverse of N + OH -> NO + H' reacexp(275) = 'Reverse of NH + OH -> N + H2O' reacexp(276) = 'Reverse of NH + H -> N + H2' reacexp(277) = 'Reverse of NH + O -> NO + H' reacexp(278) = 'Reverse of NH + O2 -> HNO + O' reacexp(279) = 'Reverse of NH + H2O -> HNO + H2' reacexp(280) = 'Reverse of NH + OH -> HNO + H' reacexp(281) = 'Reverse of NH2 + H -> NH + H2' reacexp(282) = 'Reverse of NH2 + O -> OH + NH' reacexp(283) = 'Reverse of NH2 + OH -> NH + H2O' reacexp(284) = 'Reverse of NH2 + O -> H + HNO' reacexp(285) = 'Reverse of HCCO + NO -> HCNO + CO' reacexp(286) = 'Reverse of HO2 + NO -> NO2 + OH' reacexp(287) = 'Reverse of NH + NO -> N2O + H' reacexp(288) = 'Reverse of 1-CH2 + NO -> H + HCNO' reacexp(289) = 'Reverse of N + NO -> N2 + O' reacexp(290) = 'Reverse of NO + O + M29 -> NO2 + M29' reacexp(291) = 'Reverse of H + NO + M31 -> HNO + M31' reacexp(292) = 'Reverse of CH2 + NO -> H + HCNO' reacexp(293) = 'Reverse of NH + NO -> N2 + OH' reacexp(294) = 'Reverse of HNO + H -> H2 + NO' reacexp(295) = 'Reverse of HNO + O2 -> HO2 + NO' reacexp(296) = 'Reverse of HNO + O -> NO + OH' reacexp(297) = 'Reverse of HNO + OH -> NO + H2O' reacexp(298) = 'Reverse of NO2 + H -> NO + OH' reacexp(299) = 'Reverse of NO2 + O -> NO + O2' reacexp(300) = 'Reverse of HCN + O -> NCO + H' reacexp(301) = 'Reverse of HCN + OH -> HOCN + H' reacexp(302) = 'Reverse of NCO + M32 -> N + CO + M32' reacexp(303) = 'Reverse of NCO + H -> NH + CO' reacexp(304) = 'Reverse of HNCO + OH -> NH2 + CO2' reacexp(305) = 'Reverse of HNCO + OH -> NCO + H2O' reacexp(306) = 'Reverse of HNCO + M36 -> NH + CO + M36' reacexp(307) = 'Reverse of HNCO + O -> NCO + OH' reacexp(308) = 'Reverse of HNCO + H -> H2 + NCO' reacexp(309) = 'Reverse of HNCO + H -> NH2 + CO' reacexp(310) = 'Reverse of 1-CH2 + N2 -> CH2 + N2' reacexp(311) = 'Reverse of H + O2 + N2 -> HO2 + N2' reacexp(312) = 'Reverse of NNH + O2 -> HO2 + N2' reacexp(313) = 'Reverse of NNH -> N2 + H' reacexp(314) = 'Reverse of NNH + O -> NH + NO' reacexp(315) = 'Reverse of NNH + OH -> H2O + N2' reacexp(316) = 'Reverse of NNH + M30 -> N2 + H + M30' reacexp(317) = 'Reverse of N2O + OH -> N2 + HO2' reacexp(318) = 'Reverse of N2O + O -> N2 + O2' reacexp(319) = 'Reverse of N2O + M28 -> N2 + O + M28' reacexp(320) = 'Reverse of N2O + H -> N2 + OH' end subroutine reaction_expressions ! --- Forward/Backward link --- ! subroutine reverse_reactions implicit none fofb = 0 ! Attach corresponding forward reaction to each backward reaction fofb(211) = 4 fofb(212) = 5 fofb(213) = 6 fofb(214) = 7 fofb(215) = 8 fofb(216) = 10 fofb(217) = 11 fofb(218) = 12 fofb(219) = 13 fofb(220) = 14 fofb(221) = 16 fofb(222) = 19 fofb(223) = 20 fofb(224) = 21 fofb(225) = 24 fofb(226) = 28 fofb(227) = 30 fofb(228) = 37 fofb(229) = 38 fofb(230) = 41 fofb(231) = 44 fofb(232) = 47 fofb(233) = 49 fofb(234) = 52 fofb(235) = 53 fofb(236) = 54 fofb(237) = 56 fofb(238) = 58 fofb(239) = 59 fofb(240) = 61 fofb(241) = 64 fofb(242) = 67 fofb(243) = 68 fofb(244) = 69 fofb(245) = 70 fofb(246) = 71 fofb(247) = 73 fofb(248) = 74 fofb(249) = 75 fofb(250) = 77 fofb(251) = 81 fofb(252) = 83 fofb(253) = 88 fofb(254) = 89 fofb(255) = 91 fofb(256) = 98 fofb(257) = 100 fofb(258) = 103 fofb(259) = 104 fofb(260) = 105 fofb(261) = 106 fofb(262) = 110 fofb(263) = 111 fofb(264) = 117 fofb(265) = 118 fofb(266) = 119 fofb(267) = 122 fofb(268) = 123 fofb(269) = 127 fofb(270) = 129 fofb(271) = 130 fofb(272) = 132 fofb(273) = 135 fofb(274) = 136 fofb(275) = 138 fofb(276) = 139 fofb(277) = 140 fofb(278) = 141 fofb(279) = 142 fofb(280) = 143 fofb(281) = 145 fofb(282) = 146 fofb(283) = 147 fofb(284) = 148 fofb(285) = 151 fofb(286) = 153 fofb(287) = 154 fofb(288) = 157 fofb(289) = 158 fofb(290) = 159 fofb(291) = 160 fofb(292) = 163 fofb(293) = 166 fofb(294) = 167 fofb(295) = 168 fofb(296) = 169 fofb(297) = 170 fofb(298) = 171 fofb(299) = 172 fofb(300) = 174 fofb(301) = 176 fofb(302) = 179 fofb(303) = 182 fofb(304) = 185 fofb(305) = 187 fofb(306) = 188 fofb(307) = 189 fofb(308) = 190 fofb(309) = 191 fofb(310) = 197 fofb(311) = 198 fofb(312) = 199 fofb(313) = 200 fofb(314) = 203 fofb(315) = 204 fofb(316) = 205 fofb(317) = 206 fofb(318) = 207 fofb(319) = 208 fofb(320) = 210 end subroutine reverse_reactions ! --- Evaluation of QSS concentrations --- ! subroutine get_QSS(cqss,c,k,M) implicit none real(pr), dimension(nqss) :: cqss real(pr), dimension(nspec) :: c real(pr), dimension(nreac) :: k real(pr), dimension(31) :: M real(pr) :: X1XCH2_denom1& , X1XCH2_ct1& , X1XCH2_denom2& , X1XCH2_ct2& , X1XCH2_CH& , X1XCH2_HCNO& , X1XCH2_CH3O& , X1XCH2_HCCO& , X1XCH2_C& , X1XCH2_CH_coeff& , X1XCH2_HCNO_coeff& , X1XCH2_CH3O_coeff& , X1XCH2_HCCO_coeff& , X1XCH2_C_coeff real(pr) :: NH_denom1& , NH_ct1& , NH_denom2& , NH_ct2& , NH_NCO& , NH_HNCO& , NH_NH2& , NH_HNO& , NH_NNH& , NH_NCO_coeff& , NH_HNCO_coeff& , NH_NH2_coeff& , NH_HNO_coeff& , NH_NNH_coeff real(pr) :: NCO_denom1& , NCO_ct1& , NCO_denom2& , NCO_ct2& , NCO_HNCO& , NCO_NH2& , NCO_HNO& , NCO_NNH& , NCO_HNCO_coeff& , NCO_NH2_coeff& , NCO_HNO_coeff& , NCO_NNH_coeff real(pr) :: N_denom1& , N_ct1& , N_denom2& , N_ct2& , N_NH& , N_NCO& , N_HNCO& , N_NH2& , N_HNO& , N_NNH& , N_NH_coeff& , N_NCO_coeff& , N_HNCO_coeff& , N_NH2_coeff& , N_HNO_coeff& , N_NNH_coeff real(pr) :: HNO_denom1& , HNO_ct1& , HNO_denom2& , HNO_ct2& , HNO_NNH& , HNO_NNH_coeff real(pr) :: NNH_denom1& , NNH_ct1& , NNH_denom2& , NNH_ct2 real(pr) :: CH3O_denom1& , CH3O_ct1& , CH3O_denom2& , CH3O_ct2& , CH3O_HCCO& , CH3O_C& , CH3O_HCCO_coeff& , CH3O_C_coeff real(pr) :: HCNO_denom1& , HCNO_ct1& , HCNO_denom2& , HCNO_ct2& , HCNO_CH3O& , HCNO_HCCO& , HCNO_C& , HCNO_CH3O_coeff& , HCNO_HCCO_coeff& , HCNO_C_coeff real(pr) :: CH_denom1& , CH_ct1& , CH_denom2& , CH_ct2& , CH_HCNO& , CH_CH3O& , CH_HCCO& , CH_C& , CH_HCNO_coeff& , CH_CH3O_coeff& , CH_HCCO_coeff& , CH_C_coeff real(pr) :: HNCO_denom1& , HNCO_ct1& , HNCO_denom2& , HNCO_ct2& , HNCO_NH2& , HNCO_HNO& , HNCO_NNH& , HNCO_NH2_coeff& , HNCO_HNO_coeff& , HNCO_NNH_coeff real(pr) :: CH2_denom1& , CH2_ct1& , CH2_denom2& , CH2_ct2& , CH2_X1XCH2& , CH2_CH& , CH2_HCNO& , CH2_CH3O& , CH2_HCCO& , CH2_C& , CH2_X1XCH2_coeff& , CH2_CH_coeff& , CH2_HCNO_coeff& , CH2_CH3O_coeff& , CH2_HCCO_coeff& , CH2_C_coeff real(pr) :: C_denom1& , C_ct1& , C_denom2& , C_ct2 real(pr) :: NH2_denom1& , NH2_ct1& , NH2_denom2& , NH2_ct2& , NH2_HNO& , NH2_NNH& , NH2_HNO_coeff& , NH2_NNH_coeff real(pr) :: HCCO_denom1& , HCCO_ct1& , HCCO_denom2& , HCCO_ct2& , HCCO_C& , HCCO_C_coeff ! c(sCH2) c(s1XCH2) c(sCH) c(sHCNO) c(sCH3O) c(sHCCO) c(sC) (coupled) -------------------- ! Primary denominators----------------------- CH2_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r28b) * c(sH) & + k(r36) * c(sHO2) & + k(r37) * c(sOH) & + k(r38) * c(sO) & + k(r39f) * c(sOH) & + k(r40f) * c(sH2) & + k(r41) * c(sH) & + k(r42) * c(sO2) & + k(r46b) * c(sH2O) & + k(r58b) * c(sH2O) & + k(r64) * c(sCH3) & + k(r69f) * c(sCH4) & + k(r79b) * c(sCO) & + k(r108b) * c(sCO2) & + k(rnog154) * c(sNO) & + k(rnog166) * c(sNO) & + k(rnog167f) * c(sNO) & + k(r201b) * c(sN2) & ) X1XCH2_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r43f) * c(sH) & + k(r44) * c(sO2) & + k(r45) * c(sOH) & + k(r46f) * c(sH2O) & + k(r47) * c(sO) & + k(r48) * c(sO) & + k(r49f) * c(sH2O) & + k(r50) * c(sO2) & + k(r51f) * c(sH2) & + k(r55b) * c(sH2O) & + k(r65) * c(sCH3) & + k(r73f) * c(sCH4) & + k(r79f) * c(sCO) & + k(r100b) * c(sH2O) & + k(r108f) * c(sCO2) & + k(r110) * c(sCO2) & + k(r133) * c(sC2H6) & + k(r134b) * c(sCO) & + k(rnog156) * c(sNO) & + k(rnog161f) * c(sNO) & + k(rnog169) * c(sNO) & + k(r201f) * c(sN2) & ) CH_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r28f) * c(sH2) & + k(r29) * c(sO) & + k(r30f) * c(sH) & + k(r31) * c(sO2) & + k(r32) * c(sOH) & + k(r33) * c(sH2O) & + k(r39b) * c(sH2O) & + k(r43b) * c(sH2) & + k(r57) * c(sCH3) & + k(r68) * c(sCH4) & + k(r75f) * c(sCO) & + k(r109) * c(sCO2) & + k(rnog153) * c(sNO) & + k(rnog159) * c(sNO) & + k(rnog160) * c(sNO) & + k(rnog200) * c(sN2) & ) HCNO_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(rnog155b) * c(sCO) & + k(rnog161b) * c(sH) & + k(rnog167b) * c(sH) & + k(rnog196) * c(sH) & + k(rnog197) * c(sH) & + k(rnog198) * c(sH) & ) CH3O_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r61b) * c(sO) & + k(r93b) & + k(r97) * c(sH) & + k(r98) * c(sH) & + k(r99) * c(sOH) & + k(r100f) * c(sH) & + k(r101) * c(sO2) & + k(r102f) * c(sH) & + k(r103) * c(sO) & + k(r105b) * c(sH2) & + k(r106b) * c(sH2O) & + k(r107b) * c(sCH4) & ) HCCO_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r75b) & + k(r112b) * c(sH) & + k(r134f) * c(sH) & + k(r135) * c(sO2) & + k(r138) * c(sO) & + k(rnog155f) * c(sNO) & ) C_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(r26) * c(sO2) & + k(r27) * c(sOH) & + k(r30b) * c(sH2) & + k(r53) * c(sCH3) & + k(rnog165) * c(sNO) & ) ! Primary constant parts ----------------------- CH2_ct1 = ( 0.0_pr & + k(r40b) * c(sCH3) * c(sH) & + k(r58f) * c(sOH) * c(sCH3) & + k(r69b) * c(sCH3) * c(sCH3) & + k(r114) * c(sO) * c(sC2H2) ) X1XCH2_ct1 = ( 0.0_pr & + k(r49b) * c(sCH3OH) & + k(r51b) * c(sH) * c(sCH3) & + k(r55f) * c(sOH) * c(sCH3) & + k(r73b) * c(sCH3) * c(sCH3) ) CH_ct1 = ( 0.0_pr ) HCNO_ct1 = ( 0.0_pr ) CH3O_ct1 = ( 0.0_pr & + k(r52) * c(sHO2) * c(sCH3) & + k(r61f) * c(sCH3) * c(sO2) & + k(r93f) * c(sH) * c(sCH2O) & + k(r102b) * c(sCH3) * c(sOH) & + k(r104) * c(sO) * c(sCH3OH) & + k(r105f) * c(sH) * c(sCH3OH) & + k(r106f) * c(sOH) * c(sCH3OH) & + k(r107f) * c(sCH3) * c(sCH3OH) ) HCCO_ct1 = ( 0.0_pr & + k(r112f) * c(sO) * c(sC2H2) ) C_ct1 = ( 0.0_pr ) ! CH2 --------------------------------------- CH2_denom2 = tiny(1.0_pr) + ( CH2_denom1 ) CH2_ct2 = ( CH2_ct1 & ) / CH2_denom2 CH2_X1XCH2 = ( 0.0_pr & + k(r46f) * c(sH2O)+ k(r79f) * c(sCO)+ k(r108f) * c(sCO2)+ k(r201f) * c(sN2) & ) / CH2_denom2 CH2_CH = ( 0.0_pr & + k(r28f) * c(sH2)+ k(r39b) * c(sH2O) & ) / CH2_denom2 CH2_HCNO = ( 0.0_pr & + k(rnog167b) * c(sH) & ) / CH2_denom2 CH2_CH3O = ( 0.0_pr & ) / CH2_denom2 CH2_HCCO = ( 0.0_pr & ) / CH2_denom2 CH2_C = ( 0.0_pr & ) / CH2_denom2 CH2_X1XCH2_coeff = ( 0.0_pr & + k(r46b) * c(sH2O) + k(r79b) * c(sCO) + k(r108b) * c(sCO2) + k(r201b) * c(sN2) & ) CH2_CH_coeff = ( 0.0_pr & + k(r28b) * c(sH)+ k(r39f) * c(sOH) & ) CH2_HCNO_coeff = ( 0.0_pr & + k(rnog167f) * c(sNO) & ) CH2_CH3O_coeff = ( 0.0_pr & ) CH2_HCCO_coeff = ( 0.0_pr & ) CH2_C_coeff = ( 0.0_pr & ) ! X1XCH2 --------------------------------------- X1XCH2_denom2 = tiny(1.0_pr) + ( X1XCH2_denom1 & - CH2_X1XCH2_coeff * CH2_X1XCH2 ) X1XCH2_ct2 = ( X1XCH2_ct1 & + CH2_X1XCH2_coeff * CH2_ct2 & ) / X1XCH2_denom2 X1XCH2_CH = ( 0.0_pr & + k(r43b) * c(sH2) & + CH2_X1XCH2_coeff * CH2_CH& ) / X1XCH2_denom2 X1XCH2_HCNO = ( 0.0_pr & + k(rnog161b) * c(sH) & + CH2_X1XCH2_coeff * CH2_HCNO& ) / X1XCH2_denom2 X1XCH2_CH3O = ( 0.0_pr & + k(r100f) * c(sH) & + CH2_X1XCH2_coeff * CH2_CH3O& ) / X1XCH2_denom2 X1XCH2_HCCO = ( 0.0_pr & + k(r134f) * c(sH) & + CH2_X1XCH2_coeff * CH2_HCCO& ) / X1XCH2_denom2 X1XCH2_C = ( 0.0_pr & + CH2_X1XCH2_coeff * CH2_C& ) / X1XCH2_denom2 X1XCH2_CH_coeff = ( 0.0_pr & + k(r43f) * c(sH) & + CH2_CH_coeff * CH2_X1XCH2 & ) X1XCH2_HCNO_coeff = ( 0.0_pr & + k(rnog161f) * c(sNO) & + CH2_HCNO_coeff * CH2_X1XCH2 & ) X1XCH2_CH3O_coeff = ( 0.0_pr & + k(r100b) * c(sH2O) & + CH2_CH3O_coeff * CH2_X1XCH2 & ) X1XCH2_HCCO_coeff = ( 0.0_pr & + k(r134b) * c(sCO) & + CH2_HCCO_coeff * CH2_X1XCH2 & ) X1XCH2_C_coeff = ( 0.0_pr & + CH2_C_coeff * CH2_X1XCH2 & ) ! CH --------------------------------------- CH_denom2 = tiny(1.0_pr) + ( CH_denom1 & - CH2_CH_coeff * CH2_CH & - X1XCH2_CH_coeff * X1XCH2_CH ) CH_ct2 = ( CH_ct1 & + CH2_CH_coeff * CH2_ct2 & + X1XCH2_CH_coeff * X1XCH2_ct2 & ) / CH_denom2 CH_HCNO = ( 0.0_pr & + CH2_CH_coeff * CH2_HCNO& + X1XCH2_CH_coeff * X1XCH2_HCNO& ) / CH_denom2 CH_CH3O = ( 0.0_pr & + CH2_CH_coeff * CH2_CH3O& + X1XCH2_CH_coeff * X1XCH2_CH3O& ) / CH_denom2 CH_HCCO = ( 0.0_pr & + k(r75b) & + CH2_CH_coeff * CH2_HCCO& + X1XCH2_CH_coeff * X1XCH2_HCCO& ) / CH_denom2 CH_C = ( 0.0_pr & + k(r30b) * c(sH2) & + CH2_CH_coeff * CH2_C& + X1XCH2_CH_coeff * X1XCH2_C& ) / CH_denom2 CH_HCNO_coeff = ( 0.0_pr & + CH2_HCNO_coeff * CH2_CH & + X1XCH2_HCNO_coeff * X1XCH2_CH & ) CH_CH3O_coeff = ( 0.0_pr & + CH2_CH3O_coeff * CH2_CH & + X1XCH2_CH3O_coeff * X1XCH2_CH & ) CH_HCCO_coeff = ( 0.0_pr & + k(r75f) * c(sCO) & + CH2_HCCO_coeff * CH2_CH & + X1XCH2_HCCO_coeff * X1XCH2_CH & ) CH_C_coeff = ( 0.0_pr & + k(r30f) * c(sH) & + CH2_C_coeff * CH2_CH & + X1XCH2_C_coeff * X1XCH2_CH & ) ! HCNO --------------------------------------- HCNO_denom2 = tiny(1.0_pr) + ( HCNO_denom1 & - CH2_HCNO_coeff * CH2_HCNO & - X1XCH2_HCNO_coeff * X1XCH2_HCNO & - CH_HCNO_coeff * CH_HCNO ) HCNO_ct2 = ( HCNO_ct1 & + CH2_HCNO_coeff * CH2_ct2 & + X1XCH2_HCNO_coeff * X1XCH2_ct2 & + CH_HCNO_coeff * CH_ct2 & ) / HCNO_denom2 HCNO_CH3O = ( 0.0_pr & + CH2_HCNO_coeff * CH2_CH3O& + X1XCH2_HCNO_coeff * X1XCH2_CH3O& + CH_HCNO_coeff * CH_CH3O& ) / HCNO_denom2 HCNO_HCCO = ( 0.0_pr & + k(rnog155f) * c(sNO) & + CH2_HCNO_coeff * CH2_HCCO& + X1XCH2_HCNO_coeff * X1XCH2_HCCO& + CH_HCNO_coeff * CH_HCCO& ) / HCNO_denom2 HCNO_C = ( 0.0_pr & + CH2_HCNO_coeff * CH2_C& + X1XCH2_HCNO_coeff * X1XCH2_C& + CH_HCNO_coeff * CH_C& ) / HCNO_denom2 HCNO_CH3O_coeff = ( 0.0_pr & + CH2_CH3O_coeff * CH2_HCNO & + X1XCH2_CH3O_coeff * X1XCH2_HCNO & + CH_CH3O_coeff * CH_HCNO & ) HCNO_HCCO_coeff = ( 0.0_pr & + k(rnog155b) * c(sCO) & + CH2_HCCO_coeff * CH2_HCNO & + X1XCH2_HCCO_coeff * X1XCH2_HCNO & + CH_HCCO_coeff * CH_HCNO & ) HCNO_C_coeff = ( 0.0_pr & + CH2_C_coeff * CH2_HCNO & + X1XCH2_C_coeff * X1XCH2_HCNO & + CH_C_coeff * CH_HCNO & ) ! CH3O --------------------------------------- CH3O_denom2 = tiny(1.0_pr) + ( CH3O_denom1 & - CH2_CH3O_coeff * CH2_CH3O & - X1XCH2_CH3O_coeff * X1XCH2_CH3O & - CH_CH3O_coeff * CH_CH3O & - HCNO_CH3O_coeff * HCNO_CH3O ) CH3O_ct2 = ( CH3O_ct1 & + CH2_CH3O_coeff * CH2_ct2 & + X1XCH2_CH3O_coeff * X1XCH2_ct2 & + CH_CH3O_coeff * CH_ct2 & + HCNO_CH3O_coeff * HCNO_ct2 & ) / CH3O_denom2 CH3O_HCCO = ( 0.0_pr & + CH2_CH3O_coeff * CH2_HCCO& + X1XCH2_CH3O_coeff * X1XCH2_HCCO& + CH_CH3O_coeff * CH_HCCO& + HCNO_CH3O_coeff * HCNO_HCCO& ) / CH3O_denom2 CH3O_C = ( 0.0_pr & + CH2_CH3O_coeff * CH2_C& + X1XCH2_CH3O_coeff * X1XCH2_C& + CH_CH3O_coeff * CH_C& + HCNO_CH3O_coeff * HCNO_C& ) / CH3O_denom2 CH3O_HCCO_coeff = ( 0.0_pr & + CH2_HCCO_coeff * CH2_CH3O & + X1XCH2_HCCO_coeff * X1XCH2_CH3O & + CH_HCCO_coeff * CH_CH3O & + HCNO_HCCO_coeff * HCNO_CH3O & ) CH3O_C_coeff = ( 0.0_pr & + CH2_C_coeff * CH2_CH3O & + X1XCH2_C_coeff * X1XCH2_CH3O & + CH_C_coeff * CH_CH3O & + HCNO_C_coeff * HCNO_CH3O & ) ! HCCO --------------------------------------- HCCO_denom2 = tiny(1.0_pr) + ( HCCO_denom1 & - CH2_HCCO_coeff * CH2_HCCO & - X1XCH2_HCCO_coeff * X1XCH2_HCCO & - CH_HCCO_coeff * CH_HCCO & - HCNO_HCCO_coeff * HCNO_HCCO & - CH3O_HCCO_coeff * CH3O_HCCO ) HCCO_ct2 = ( HCCO_ct1 & + CH2_HCCO_coeff * CH2_ct2 & + X1XCH2_HCCO_coeff * X1XCH2_ct2 & + CH_HCCO_coeff * CH_ct2 & + HCNO_HCCO_coeff * HCNO_ct2 & + CH3O_HCCO_coeff * CH3O_ct2 & ) / HCCO_denom2 HCCO_C = ( 0.0_pr & + CH2_HCCO_coeff * CH2_C& + X1XCH2_HCCO_coeff * X1XCH2_C& + CH_HCCO_coeff * CH_C& + HCNO_HCCO_coeff * HCNO_C& + CH3O_HCCO_coeff * CH3O_C& ) / HCCO_denom2 HCCO_C_coeff = ( 0.0_pr & + CH2_C_coeff * CH2_HCCO & + X1XCH2_C_coeff * X1XCH2_HCCO & + CH_C_coeff * CH_HCCO & + HCNO_C_coeff * HCNO_HCCO & + CH3O_C_coeff * CH3O_HCCO & ) ! C --------------------------------------- C_denom2 = tiny(1.0_pr) + ( C_denom1 & - CH2_C_coeff * CH2_C & - X1XCH2_C_coeff * X1XCH2_C & - CH_C_coeff * CH_C & - HCNO_C_coeff * HCNO_C & - CH3O_C_coeff * CH3O_C & - HCCO_C_coeff * HCCO_C ) C_ct2 = ( C_ct1 & + CH2_C_coeff * CH2_ct2 & + X1XCH2_C_coeff * X1XCH2_ct2 & + CH_C_coeff * CH_ct2 & + HCNO_C_coeff * HCNO_ct2 & + CH3O_C_coeff * CH3O_ct2 & + HCCO_C_coeff * HCCO_ct2 & ) / C_denom2 ! Reconstruction ------------------------------------ cqss(sC-nspec) = ( C_ct2 ) cqss(sHCCO-nspec) = ( HCCO_ct2 & + HCCO_C * cqss(sC-nspec) ) cqss(sCH3O-nspec) = ( CH3O_ct2 & + CH3O_HCCO * cqss(sHCCO-nspec)& + CH3O_C * cqss(sC-nspec) ) cqss(sHCNO-nspec) = ( HCNO_ct2 & + HCNO_CH3O * cqss(sCH3O-nspec)& + HCNO_HCCO * cqss(sHCCO-nspec)& + HCNO_C * cqss(sC-nspec) ) cqss(sCH-nspec) = ( CH_ct2 & + CH_HCNO * cqss(sHCNO-nspec)& + CH_CH3O * cqss(sCH3O-nspec)& + CH_HCCO * cqss(sHCCO-nspec)& + CH_C * cqss(sC-nspec) ) cqss(s1XCH2-nspec) = ( X1XCH2_ct2 & + X1XCH2_CH * cqss(sCH-nspec)& + X1XCH2_HCNO * cqss(sHCNO-nspec)& + X1XCH2_CH3O * cqss(sCH3O-nspec)& + X1XCH2_HCCO * cqss(sHCCO-nspec)& + X1XCH2_C * cqss(sC-nspec) ) cqss(sCH2-nspec) = ( CH2_ct2 & + CH2_X1XCH2 * cqss(s1XCH2-nspec)& + CH2_CH * cqss(sCH-nspec)& + CH2_HCNO * cqss(sHCNO-nspec)& + CH2_CH3O * cqss(sCH3O-nspec)& + CH2_HCCO * cqss(sHCCO-nspec)& + CH2_C * cqss(sC-nspec) ) ! cqss(sC2H3) (uncoupled) -------------------- cqss(sC2H3-nspec) = ( 0.0_pr & + k(r57) * cqss(sCH-nspec) *c(sCH3) & + k(r113f) * c(sH) * c(sC2H2) & + k(r119f) * c(sH) * c(sC2H4) & + k(r120f) * c(sCH3) * c(sC2H4) & + k(r121f) * c(sOH) * c(sC2H4) & ) / ( tiny(1.0_pr) + ( & + k(r113b) & + k(r115) * c(sO2) & + k(r116) * c(sH) & + k(r117) * c(sOH) & + k(r118) * c(sH) & + k(r119b) * c(sH2) & + k(r120b) * c(sCH4) & + k(r121b) * c(sH2O) ) ) ! cqss(sC2H5) (uncoupled) -------------------- cqss(sC2H5-nspec) = ( 0.0_pr & + k(r54f) * c(sCH3) * c(sCH3) & + k(r124f) * c(sH) * c(sC2H4) & + k(r125b) * c(sC2H4) * c(sHO2) & + k(r129f) * c(sOH) * c(sC2H6) & + k(r130) * c(sO) * c(sC2H6) & + k(r131f) * c(sH) * c(sC2H6) & + k(r132f) * c(sCH3) * c(sC2H6) & + k(r133) * cqss(s1XCH2-nspec) *c(sC2H6) & ) / ( tiny(1.0_pr) + ( & + k(r54b) * c(sH) & + k(r124b) & + k(r125f) * c(sO2) & + k(r126) * c(sH) & + k(r127) * c(sH) & + k(r128) * c(sO) & + k(r129b) * c(sH2O) & + k(r131b) * c(sH2) & + k(r132b) * c(sCH4) ) ) ! cqss(sHOCN) (uncoupled) -------------------- cqss(sHOCN-nspec) = ( 0.0_pr & + k(rnog180f) * c(sHCN) * c(sOH) & ) / ( tiny(1.0_pr) + ( & + k(rnog180b) * c(sH) & + k(rnog199) * c(sH) ) ) ! c(sN) c(sNH) c(sNCO) c(sHNCO) c(sNH2) c(sHNO) c(sNNH) (coupled) -------------------- ! Primary denominators----------------------- N_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(rnog139f) * c(sO2) & + k(rnog140f) * c(sOH) & + k(rnog141) * c(sCH3) & + k(rnog142b) * c(sH2O) & + k(rnog143b) * c(sH2) & + k(rnog162f) * c(sNO) & + k(rnog183b) * c(sCO) * M(mM32) & ) NH_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(rnog142f) * c(sOH) & + k(rnog143f) * c(sH) & + k(rnog144f) * c(sO) & + k(rnog145f) * c(sO2) & + k(rnog146f) * c(sH2O) & + k(rnog147f) * c(sOH) & + k(rnog148) * c(sO2) & + k(rnog149b) * c(sH2) & + k(rnog150b) * c(sOH) & + k(rnog151b) * c(sH2O) & + k(rnog158f) * c(sNO) & + k(rnog170f) * c(sNO) & + k(rnog186b) * c(sCO) & + k(rnog192b) * c(sCO) * M(mM36) & + k(rnog207b) * c(sNO) & ) NCO_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(rnog178b) * c(sH) & + k(rnog182) * c(sO2) & + k(rnog183f) * M(mM32) & + k(rnog184) * c(sO) & + k(rnog185) * c(sNO) & + k(rnog186f) * c(sH) & + k(rnog187) * c(sOH) & + k(rnog188) * c(sNO) & + k(rnog191b) * c(sH2O) & + k(rnog193b) * c(sOH) & + k(rnog194b) * c(sH2) & ) HNCO_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(rnog189f) * c(sOH) & + k(rnog190) * c(sO) & + k(rnog191f) * c(sOH) & + k(rnog192f) * M(mM36) & + k(rnog193f) * c(sO) & + k(rnog194f) * c(sH) & + k(rnog195f) * c(sH) & ) NH2_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(rnog149f) * c(sH) & + k(rnog150f) * c(sO) & + k(rnog151f) * c(sOH) & + k(rnog152f) * c(sO) & + k(rnog189b) * c(sCO2) & + k(rnog195b) * c(sCO) & ) HNO_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(rnog145b) * c(sO) & + k(rnog146b) * c(sH2) & + k(rnog147b) * c(sH) & + k(rnog152b) * c(sH) & + k(rnog164b) * M(mM31) & + k(rnog171f) * c(sH) & + k(rnog172f) * c(sO2) & + k(rnog173f) * c(sO) & + k(rnog174f) * c(sOH) & ) NNH_denom1 = tiny(1.0_pr) + ( 0.0_pr & + k(rnog203f) * c(sO2) & + k(rnog204f) & + k(rnog205) * c(sO) & + k(rnog206) * c(sH) & + k(rnog207f) * c(sO) & + k(rnog208f) * c(sOH) & + k(rnog209f) * M(mM30) & ) ! Primary constant parts ----------------------- N_ct1 = ( 0.0_pr & + k(rnog139b) * c(sO) * c(sNO) & + k(rnog140b) * c(sH) * c(sNO) & + k(rnog160) * cqss(sCH-nspec) *c(sNO) & + k(rnog162b) * c(sO) * c(sN2) & + k(rnog165) * cqss(sC-nspec) *c(sNO) & + k(rnog200) * cqss(sCH-nspec) *c(sN2) ) NH_ct1 = ( 0.0_pr & + k(rnog144b) * c(sH) * c(sNO) & + k(rnog158b) * c(sH) * c(sN2O) & + k(rnog170b) * c(sOH) * c(sN2) & + k(rnog181) * c(sHCN) * c(sO) ) NCO_ct1 = ( 0.0_pr & + k(rnog153) * cqss(sCH-nspec) *c(sNO) & + k(rnog178f) * c(sHCN) * c(sO) ) HNCO_ct1 = ( 0.0_pr & + k(rnog166) * cqss(sCH2-nspec) *c(sNO) & + k(rnog169) * cqss(s1XCH2-nspec) *c(sNO) & + k(rnog179) * c(sHCN) * c(sOH) & + k(rnog198) * cqss(sHCNO-nspec) *c(sH) & + k(rnog199) * cqss(sHOCN-nspec) *c(sH) ) NH2_ct1 = ( 0.0_pr & + k(rnog177) * c(sHCN) * c(sOH) & + k(rnog196) * cqss(sHCNO-nspec) *c(sH) ) HNO_ct1 = ( 0.0_pr & + k(rnog164f) * c(sH) * c(sNO) * M(mM31) & + k(rnog171b) * c(sNO) * c(sH2) & + k(rnog172b) * c(sNO) * c(sHO2) & + k(rnog173b) * c(sOH) * c(sNO) & + k(rnog174b) * c(sH2O) * c(sNO) ) NNH_ct1 = ( 0.0_pr & + k(rnog203b) * c(sN2) * c(sHO2) & + k(rnog204b) * c(sH) * c(sN2) & + k(rnog208b) * c(sN2) * c(sH2O) & + k(rnog209b) * c(sH) * c(sN2) * M(mM30) ) ! N --------------------------------------- N_denom2 = tiny(1.0_pr) + ( N_denom1 ) N_ct2 = ( N_ct1 & ) / N_denom2 N_NH = ( 0.0_pr & + k(rnog142f) * c(sOH)+ k(rnog143f) * c(sH) & ) / N_denom2 N_NCO = ( 0.0_pr & + k(rnog183f) * M(mM32) & ) / N_denom2 N_HNCO = ( 0.0_pr & ) / N_denom2 N_NH2 = ( 0.0_pr & ) / N_denom2 N_HNO = ( 0.0_pr & ) / N_denom2 N_NNH = ( 0.0_pr & ) / N_denom2 N_NH_coeff = ( 0.0_pr & + k(rnog142b) * c(sH2O) + k(rnog143b) * c(sH2) & ) N_NCO_coeff = ( 0.0_pr & + k(rnog183b) * c(sCO) * M(mM32) & ) N_HNCO_coeff = ( 0.0_pr & ) N_NH2_coeff = ( 0.0_pr & ) N_HNO_coeff = ( 0.0_pr & ) N_NNH_coeff = ( 0.0_pr & ) ! NH --------------------------------------- NH_denom2 = tiny(1.0_pr) + ( NH_denom1 & - N_NH_coeff * N_NH ) NH_ct2 = ( NH_ct1 & + N_NH_coeff * N_ct2 & ) / NH_denom2 NH_NCO = ( 0.0_pr & + k(rnog186f) * c(sH) & + N_NH_coeff * N_NCO& ) / NH_denom2 NH_HNCO = ( 0.0_pr & + k(rnog190) * c(sO)+ k(rnog192f) * M(mM36) & + N_NH_coeff * N_HNCO& ) / NH_denom2 NH_NH2 = ( 0.0_pr & + k(rnog149f) * c(sH)+ k(rnog150f) * c(sO)+ k(rnog151f) * c(sOH) & + N_NH_coeff * N_NH2& ) / NH_denom2 NH_HNO = ( 0.0_pr & + k(rnog145b) * c(sO) + k(rnog146b) * c(sH2) + k(rnog147b) * c(sH) & + N_NH_coeff * N_HNO& ) / NH_denom2 NH_NNH = ( 0.0_pr & + k(rnog207f) * c(sO) & + N_NH_coeff * N_NNH& ) / NH_denom2 NH_NCO_coeff = ( 0.0_pr & + k(rnog186b) * c(sCO) & + N_NCO_coeff * N_NH & ) NH_HNCO_coeff = ( 0.0_pr & + k(rnog192b) * c(sCO) * M(mM36) & + N_HNCO_coeff * N_NH & ) NH_NH2_coeff = ( 0.0_pr & + k(rnog149b) * c(sH2) + k(rnog150b) * c(sOH)+ k(rnog151b) * c(sH2O) & + N_NH2_coeff * N_NH & ) NH_HNO_coeff = ( 0.0_pr & + k(rnog145f) * c(sO2)+ k(rnog146f) * c(sH2O)+ k(rnog147f) * c(sOH) & + N_HNO_coeff * N_NH & ) NH_NNH_coeff = ( 0.0_pr & + k(rnog207b) * c(sNO) & + N_NNH_coeff * N_NH & ) ! NCO --------------------------------------- NCO_denom2 = tiny(1.0_pr) + ( NCO_denom1 & - N_NCO_coeff * N_NCO & - NH_NCO_coeff * NH_NCO ) NCO_ct2 = ( NCO_ct1 & + N_NCO_coeff * N_ct2 & + NH_NCO_coeff * NH_ct2 & ) / NCO_denom2 NCO_HNCO = ( 0.0_pr & + k(rnog191f) * c(sOH)+ k(rnog193f) * c(sO)+ k(rnog194f) * c(sH) & + N_NCO_coeff * N_HNCO& + NH_NCO_coeff * NH_HNCO& ) / NCO_denom2 NCO_NH2 = ( 0.0_pr & + N_NCO_coeff * N_NH2& + NH_NCO_coeff * NH_NH2& ) / NCO_denom2 NCO_HNO = ( 0.0_pr & + N_NCO_coeff * N_HNO& + NH_NCO_coeff * NH_HNO& ) / NCO_denom2 NCO_NNH = ( 0.0_pr & + N_NCO_coeff * N_NNH& + NH_NCO_coeff * NH_NNH& ) / NCO_denom2 NCO_HNCO_coeff = ( 0.0_pr & + k(rnog191b) * c(sH2O) + k(rnog193b) * c(sOH) + k(rnog194b) * c(sH2) & + N_HNCO_coeff * N_NCO & + NH_HNCO_coeff * NH_NCO & ) NCO_NH2_coeff = ( 0.0_pr & + N_NH2_coeff * N_NCO & + NH_NH2_coeff * NH_NCO & ) NCO_HNO_coeff = ( 0.0_pr & + N_HNO_coeff * N_NCO & + NH_HNO_coeff * NH_NCO & ) NCO_NNH_coeff = ( 0.0_pr & + N_NNH_coeff * N_NCO & + NH_NNH_coeff * NH_NCO & ) ! HNCO --------------------------------------- HNCO_denom2 = tiny(1.0_pr) + ( HNCO_denom1 & - N_HNCO_coeff * N_HNCO & - NH_HNCO_coeff * NH_HNCO & - NCO_HNCO_coeff * NCO_HNCO ) HNCO_ct2 = ( HNCO_ct1 & + N_HNCO_coeff * N_ct2 & + NH_HNCO_coeff * NH_ct2 & + NCO_HNCO_coeff * NCO_ct2 & ) / HNCO_denom2 HNCO_NH2 = ( 0.0_pr & + k(rnog189b) * c(sCO2) + k(rnog195b) * c(sCO) & + N_HNCO_coeff * N_NH2& + NH_HNCO_coeff * NH_NH2& + NCO_HNCO_coeff * NCO_NH2& ) / HNCO_denom2 HNCO_HNO = ( 0.0_pr & + N_HNCO_coeff * N_HNO& + NH_HNCO_coeff * NH_HNO& + NCO_HNCO_coeff * NCO_HNO& ) / HNCO_denom2 HNCO_NNH = ( 0.0_pr & + N_HNCO_coeff * N_NNH& + NH_HNCO_coeff * NH_NNH& + NCO_HNCO_coeff * NCO_NNH& ) / HNCO_denom2 HNCO_NH2_coeff = ( 0.0_pr & + k(rnog189f) * c(sOH)+ k(rnog195f) * c(sH) & + N_NH2_coeff * N_HNCO & + NH_NH2_coeff * NH_HNCO & + NCO_NH2_coeff * NCO_HNCO & ) HNCO_HNO_coeff = ( 0.0_pr & + N_HNO_coeff * N_HNCO & + NH_HNO_coeff * NH_HNCO & + NCO_HNO_coeff * NCO_HNCO & ) HNCO_NNH_coeff = ( 0.0_pr & + N_NNH_coeff * N_HNCO & + NH_NNH_coeff * NH_HNCO & + NCO_NNH_coeff * NCO_HNCO & ) ! NH2 --------------------------------------- NH2_denom2 = tiny(1.0_pr) + ( NH2_denom1 & - N_NH2_coeff * N_NH2 & - NH_NH2_coeff * NH_NH2 & - NCO_NH2_coeff * NCO_NH2 & - HNCO_NH2_coeff * HNCO_NH2 ) NH2_ct2 = ( NH2_ct1 & + N_NH2_coeff * N_ct2 & + NH_NH2_coeff * NH_ct2 & + NCO_NH2_coeff * NCO_ct2 & + HNCO_NH2_coeff * HNCO_ct2 & ) / NH2_denom2 NH2_HNO = ( 0.0_pr & + k(rnog152b) * c(sH) & + N_NH2_coeff * N_HNO& + NH_NH2_coeff * NH_HNO& + NCO_NH2_coeff * NCO_HNO& + HNCO_NH2_coeff * HNCO_HNO& ) / NH2_denom2 NH2_NNH = ( 0.0_pr & + N_NH2_coeff * N_NNH& + NH_NH2_coeff * NH_NNH& + NCO_NH2_coeff * NCO_NNH& + HNCO_NH2_coeff * HNCO_NNH& ) / NH2_denom2 NH2_HNO_coeff = ( 0.0_pr & + k(rnog152f) * c(sO) & + N_HNO_coeff * N_NH2 & + NH_HNO_coeff * NH_NH2 & + NCO_HNO_coeff * NCO_NH2 & + HNCO_HNO_coeff * HNCO_NH2 & ) NH2_NNH_coeff = ( 0.0_pr & + N_NNH_coeff * N_NH2 & + NH_NNH_coeff * NH_NH2 & + NCO_NNH_coeff * NCO_NH2 & + HNCO_NNH_coeff * HNCO_NH2 & ) ! HNO --------------------------------------- HNO_denom2 = tiny(1.0_pr) + ( HNO_denom1 & - N_HNO_coeff * N_HNO & - NH_HNO_coeff * NH_HNO & - NCO_HNO_coeff * NCO_HNO & - HNCO_HNO_coeff * HNCO_HNO & - NH2_HNO_coeff * NH2_HNO ) HNO_ct2 = ( HNO_ct1 & + N_HNO_coeff * N_ct2 & + NH_HNO_coeff * NH_ct2 & + NCO_HNO_coeff * NCO_ct2 & + HNCO_HNO_coeff * HNCO_ct2 & + NH2_HNO_coeff * NH2_ct2 & ) / HNO_denom2 HNO_NNH = ( 0.0_pr & + N_HNO_coeff * N_NNH& + NH_HNO_coeff * NH_NNH& + NCO_HNO_coeff * NCO_NNH& + HNCO_HNO_coeff * HNCO_NNH& + NH2_HNO_coeff * NH2_NNH& ) / HNO_denom2 HNO_NNH_coeff = ( 0.0_pr & + N_NNH_coeff * N_HNO & + NH_NNH_coeff * NH_HNO & + NCO_NNH_coeff * NCO_HNO & + HNCO_NNH_coeff * HNCO_HNO & + NH2_NNH_coeff * NH2_HNO & ) ! NNH --------------------------------------- NNH_denom2 = tiny(1.0_pr) + ( NNH_denom1 & - N_NNH_coeff * N_NNH & - NH_NNH_coeff * NH_NNH & - NCO_NNH_coeff * NCO_NNH & - HNCO_NNH_coeff * HNCO_NNH & - NH2_NNH_coeff * NH2_NNH & - HNO_NNH_coeff * HNO_NNH ) NNH_ct2 = ( NNH_ct1 & + N_NNH_coeff * N_ct2 & + NH_NNH_coeff * NH_ct2 & + NCO_NNH_coeff * NCO_ct2 & + HNCO_NNH_coeff * HNCO_ct2 & + NH2_NNH_coeff * NH2_ct2 & + HNO_NNH_coeff * HNO_ct2 & ) / NNH_denom2 ! Reconstruction ------------------------------------ cqss(sNNH-nspec) = ( NNH_ct2 ) cqss(sHNO-nspec) = ( HNO_ct2 & + HNO_NNH * cqss(sNNH-nspec) ) cqss(sNH2-nspec) = ( NH2_ct2 & + NH2_HNO * cqss(sHNO-nspec)& + NH2_NNH * cqss(sNNH-nspec) ) cqss(sHNCO-nspec) = ( HNCO_ct2 & + HNCO_NH2 * cqss(sNH2-nspec)& + HNCO_HNO * cqss(sHNO-nspec)& + HNCO_NNH * cqss(sNNH-nspec) ) cqss(sNCO-nspec) = ( NCO_ct2 & + NCO_HNCO * cqss(sHNCO-nspec)& + NCO_NH2 * cqss(sNH2-nspec)& + NCO_HNO * cqss(sHNO-nspec)& + NCO_NNH * cqss(sNNH-nspec) ) cqss(sNH-nspec) = ( NH_ct2 & + NH_NCO * cqss(sNCO-nspec)& + NH_HNCO * cqss(sHNCO-nspec)& + NH_NH2 * cqss(sNH2-nspec)& + NH_HNO * cqss(sHNO-nspec)& + NH_NNH * cqss(sNNH-nspec) ) cqss(sN-nspec) = ( N_ct2 & + N_NH * cqss(sNH-nspec)& + N_NCO * cqss(sNCO-nspec)& + N_HNCO * cqss(sHNCO-nspec)& + N_NH2 * cqss(sNH2-nspec)& + N_HNO * cqss(sHNO-nspec)& + N_NNH * cqss(sNNH-nspec) ) ! cqss(sHCO) (uncoupled) -------------------- cqss(sHCO-nspec) = ( 0.0_pr & + k(r31) * cqss(sCH-nspec) *c(sO2) & + k(r32) * c(sOH) * cqss(sCH-nspec) & + k(r38) * c(sO) * cqss(sCH2-nspec) & + k(r42) * cqss(sCH2-nspec) *c(sO2) & + k(r47) * c(sO) * cqss(s1XCH2-nspec) & + k(r83b) * c(sCO) * c(sH) * M(mM26) & + k(r85b) * c(sH2O) * c(sCO) * c(sH) & + k(r88) * c(sHO2) * c(sCH2O) & + k(r89) * c(sOH) * c(sCH2O) & + k(r90f) * c(sO2) * c(sCH2O) & + k(r91f) * c(sH) * c(sCH2O) & + k(r92) * c(sO) * c(sCH2O) & + k(r94) * c(sCH2O) & + k(r95) * c(sCH3) * c(sCH2O) & + k(r109) * cqss(sCH-nspec) *c(sCO2) & + k(r115) * cqss(sC2H3-nspec) *c(sO2) & + k(r123) * c(sO) * c(sC2H4) & + k(rnog160) * cqss(sCH-nspec) *c(sNO) & ) / ( tiny(1.0_pr) + ( & + k(r80) * c(sO) & + k(r81) * c(sH) & + k(r82) * c(sO) & + k(r83f) * M(mM26) & + k(r84) * c(sOH) & + k(r85f) * c(sH2O) & + k(r86) * c(sO2) & + k(r87) * c(sCH3) & + k(r90b) * c(sHO2) & + k(r91b) * c(sH2) ) ) end subroutine get_QSS end module mCH42232018TJ !subroutine externe au module pour CANTERA subroutine ch42232018tj(P, T, Y, WDOT) use mCH42232018TJ implicit none real(pr), dimension(nspec) :: Y,c,WDOT real(pr), dimension(nspec + nqss) :: H,dH,Cp real(pr), dimension(nqss) :: cqss real(pr), dimension(nreac) :: w,k real(pr), dimension(31) :: m real(pr) :: T,P 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 ch42232018tj