module mHYCHEM2727212AF
implicit none
INTEGER, PARAMETER :: pr = selected_real_kind(15,307)
REAL(KIND=pr) :: working_precision_variables
integer, parameter :: nspec = 27
integer, parameter :: nreac = 268
integer, parameter :: isc_T = 1
integer, parameter :: neq = nspec + 1
! QSS variables
! Number of QSS species
integer, parameter :: nqss = 12
! 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 = 40
! Max number of species in groups
integer, parameter :: maxppn = 1
! Number of species in each group
integer, dimension(ng) :: ppn
! Species in each group
integer, dimension(ng,maxppn) :: pp
! Name of species in each group
character(len=30), dimension(ng) :: ppname
! Actual expression of each reaction
character(len=65), dimension(nreac) :: reacexp
! Link between backward and forward rates
integer, dimension(nreac) :: fofb
! Index of species
integer, parameter :: sN2 = 1
integer, parameter :: sH = 2
integer, parameter :: sH2 = 3
integer, parameter :: sO = 4
integer, parameter :: sOH = 5
integer, parameter :: sH2O = 6
integer, parameter :: sH2O2 = 7
integer, parameter :: sO2 = 8
integer, parameter :: sHO2 = 9
integer, parameter :: sCH2O = 10
integer, parameter :: sCO2 = 11
integer, parameter :: sCO = 12
integer, parameter :: sCH3 = 13
integer, parameter :: sCH4 = 14
integer, parameter :: sC2H4 = 15
integer, parameter :: sC2H6 = 16
integer, parameter :: sCH2CO = 17
integer, parameter :: sC2H2 = 18
integer, parameter :: sC3H6 = 19
integer, parameter :: sAXC3H4 = 20
integer, parameter :: sIXC4H8 = 21
integer, parameter :: sC5H6 = 22
integer, parameter :: sC6H5O = 23
integer, parameter :: sC6H4O2 = 24
integer, parameter :: sC6H6 = 25
integer, parameter :: sC6H5CH3 = 26
integer, parameter :: sPOSF10325XC11H22 = 27
integer, parameter :: sCH2 = 28
integer, parameter :: sHCO = 29
integer, parameter :: sCH2DXCH2 = 30
integer, parameter :: sCH3O = 31
integer, parameter :: sC2H5 = 32
integer, parameter :: sHCCO = 33
integer, parameter :: sC2H3 = 34
integer, parameter :: sCH2CHO = 35
integer, parameter :: sAXC3H5 = 36
integer, parameter :: sC6H5 = 37
integer, parameter :: sC6H5CH2 = 38
integer, parameter :: sC6H5CHO = 39
! Index of reactions
integer, parameter :: r1 = 1
integer, parameter :: r2f = 2
integer, parameter :: r3 = 3
integer, parameter :: r4f = 4
integer, parameter :: r5f = 5
integer, parameter :: r6f = 6
integer, parameter :: r7f = 7
integer, parameter :: r8f = 8
integer, parameter :: r9f = 9
integer, parameter :: r10f = 10
integer, parameter :: r11 = 11
integer, parameter :: r12 = 12
integer, parameter :: r13 = 13
integer, parameter :: r14f = 14
integer, parameter :: r15 = 15
integer, parameter :: r16 = 16
integer, parameter :: r17 = 17
integer, parameter :: r18 = 18
integer, parameter :: r19 = 19
integer, parameter :: r20 = 20
integer, parameter :: r21 = 21
integer, parameter :: r22 = 22
integer, parameter :: r23f = 23
integer, parameter :: r24 = 24
integer, parameter :: r25f = 25
integer, parameter :: r26 = 26
integer, parameter :: r27 = 27
integer, parameter :: r28 = 28
integer, parameter :: r29 = 29
integer, parameter :: r30 = 30
integer, parameter :: r31f = 31
integer, parameter :: r32 = 32
integer, parameter :: r33 = 33
integer, parameter :: r34 = 34
integer, parameter :: r35f = 35
integer, parameter :: r36 = 36
integer, parameter :: r37 = 37
integer, parameter :: r38 = 38
integer, parameter :: r39 = 39
integer, parameter :: r40f = 40
integer, parameter :: r41f = 41
integer, parameter :: r42 = 42
integer, parameter :: r43f = 43
integer, parameter :: r44f = 44
integer, parameter :: r45 = 45
integer, parameter :: r46 = 46
integer, parameter :: r47f = 47
integer, parameter :: r48f = 48
integer, parameter :: r49 = 49
integer, parameter :: r50f = 50
integer, parameter :: r51f = 51
integer, parameter :: r52f = 52
integer, parameter :: r53f = 53
integer, parameter :: r54f = 54
integer, parameter :: r55f = 55
integer, parameter :: r56 = 56
integer, parameter :: r57f = 57
integer, parameter :: r58f = 58
integer, parameter :: r59f = 59
integer, parameter :: r60f = 60
integer, parameter :: r61 = 61
integer, parameter :: r62f = 62
integer, parameter :: r63 = 63
integer, parameter :: r64 = 64
integer, parameter :: r65 = 65
integer, parameter :: r66 = 66
integer, parameter :: r67 = 67
integer, parameter :: r68f = 68
integer, parameter :: r69 = 69
integer, parameter :: r70 = 70
integer, parameter :: r71 = 71
integer, parameter :: r72 = 72
integer, parameter :: r73 = 73
integer, parameter :: r74 = 74
integer, parameter :: r75f = 75
integer, parameter :: r76 = 76
integer, parameter :: r77 = 77
integer, parameter :: r78 = 78
integer, parameter :: r79 = 79
integer, parameter :: r80f = 80
integer, parameter :: r81 = 81
integer, parameter :: r82 = 82
integer, parameter :: r83 = 83
integer, parameter :: r84f = 84
integer, parameter :: r85f = 85
integer, parameter :: r86 = 86
integer, parameter :: r87f = 87
integer, parameter :: r88 = 88
integer, parameter :: r89 = 89
integer, parameter :: r90f = 90
integer, parameter :: r91 = 91
integer, parameter :: r92 = 92
integer, parameter :: r93 = 93
integer, parameter :: r94 = 94
integer, parameter :: r95f = 95
integer, parameter :: r96 = 96
integer, parameter :: r97 = 97
integer, parameter :: r99 = 98
integer, parameter :: r100f = 99
integer, parameter :: r101 = 100
integer, parameter :: r102f = 101
integer, parameter :: r103f = 102
integer, parameter :: r104f = 103
integer, parameter :: r105 = 104
integer, parameter :: r106f = 105
integer, parameter :: r107f = 106
integer, parameter :: r108f = 107
integer, parameter :: r109 = 108
integer, parameter :: r110 = 109
integer, parameter :: r111f = 110
integer, parameter :: r112f = 111
integer, parameter :: r113 = 112
integer, parameter :: r114 = 113
integer, parameter :: r115f = 114
integer, parameter :: r116 = 115
integer, parameter :: r117 = 116
integer, parameter :: r118 = 117
integer, parameter :: r119 = 118
integer, parameter :: r120 = 119
integer, parameter :: r121 = 120
integer, parameter :: r122 = 121
integer, parameter :: r123f = 122
integer, parameter :: r124 = 123
integer, parameter :: r125 = 124
integer, parameter :: r126f = 125
integer, parameter :: r127 = 126
integer, parameter :: r129 = 127
integer, parameter :: r131f = 128
integer, parameter :: r132f = 129
integer, parameter :: r133f = 130
integer, parameter :: r134 = 131
integer, parameter :: r135f = 132
integer, parameter :: r136 = 133
integer, parameter :: r137 = 134
integer, parameter :: r138f = 135
integer, parameter :: r139 = 136
integer, parameter :: r140 = 137
integer, parameter :: r141 = 138
integer, parameter :: r142 = 139
integer, parameter :: r143 = 140
integer, parameter :: r144f = 141
integer, parameter :: r145 = 142
integer, parameter :: r146 = 143
integer, parameter :: r147 = 144
integer, parameter :: r148 = 145
integer, parameter :: r149f = 146
integer, parameter :: r150 = 147
integer, parameter :: r151 = 148
integer, parameter :: r152 = 149
integer, parameter :: r154 = 150
integer, parameter :: r155f = 151
integer, parameter :: r156 = 152
integer, parameter :: r157 = 153
integer, parameter :: r158 = 154
integer, parameter :: r159f = 155
integer, parameter :: r160 = 156
integer, parameter :: r161 = 157
integer, parameter :: r162 = 158
integer, parameter :: r163 = 159
integer, parameter :: r164f = 160
integer, parameter :: r165 = 161
integer, parameter :: r166f = 162
integer, parameter :: r167f = 163
integer, parameter :: r168f = 164
integer, parameter :: r169 = 165
integer, parameter :: r170f = 166
integer, parameter :: r171 = 167
integer, parameter :: r172f = 168
integer, parameter :: r173 = 169
integer, parameter :: r174 = 170
integer, parameter :: r175f = 171
integer, parameter :: r176f = 172
integer, parameter :: r177 = 173
integer, parameter :: r178 = 174
integer, parameter :: r179 = 175
integer, parameter :: r180 = 176
integer, parameter :: r181f = 177
integer, parameter :: r182f = 178
integer, parameter :: r183 = 179
integer, parameter :: r184 = 180
integer, parameter :: r185f = 181
integer, parameter :: r186f = 182
integer, parameter :: r187 = 183
integer, parameter :: r188f = 184
integer, parameter :: r189 = 185
integer, parameter :: r190 = 186
integer, parameter :: r191 = 187
integer, parameter :: r192 = 188
integer, parameter :: r193 = 189
integer, parameter :: r194 = 190
integer, parameter :: r195 = 191
integer, parameter :: r196 = 192
integer, parameter :: r197 = 193
integer, parameter :: r198 = 194
integer, parameter :: r199f = 195
integer, parameter :: r2b = 196
integer, parameter :: r4b = 197
integer, parameter :: r5b = 198
integer, parameter :: r6b = 199
integer, parameter :: r7b = 200
integer, parameter :: r8b = 201
integer, parameter :: r9b = 202
integer, parameter :: r10b = 203
integer, parameter :: r14b = 204
integer, parameter :: r23b = 205
integer, parameter :: r25b = 206
integer, parameter :: r31b = 207
integer, parameter :: r35b = 208
integer, parameter :: r40b = 209
integer, parameter :: r41b = 210
integer, parameter :: r43b = 211
integer, parameter :: r44b = 212
integer, parameter :: r47b = 213
integer, parameter :: r48b = 214
integer, parameter :: r50b = 215
integer, parameter :: r51b = 216
integer, parameter :: r52b = 217
integer, parameter :: r53b = 218
integer, parameter :: r54b = 219
integer, parameter :: r55b = 220
integer, parameter :: r57b = 221
integer, parameter :: r58b = 222
integer, parameter :: r59b = 223
integer, parameter :: r60b = 224
integer, parameter :: r62b = 225
integer, parameter :: r68b = 226
integer, parameter :: r75b = 227
integer, parameter :: r80b = 228
integer, parameter :: r84b = 229
integer, parameter :: r85b = 230
integer, parameter :: r87b = 231
integer, parameter :: r90b = 232
integer, parameter :: r95b = 233
integer, parameter :: r100b = 234
integer, parameter :: r102b = 235
integer, parameter :: r103b = 236
integer, parameter :: r104b = 237
integer, parameter :: r106b = 238
integer, parameter :: r107b = 239
integer, parameter :: r108b = 240
integer, parameter :: r111b = 241
integer, parameter :: r112b = 242
integer, parameter :: r115b = 243
integer, parameter :: r123b = 244
integer, parameter :: r126b = 245
integer, parameter :: r131b = 246
integer, parameter :: r132b = 247
integer, parameter :: r133b = 248
integer, parameter :: r135b = 249
integer, parameter :: r138b = 250
integer, parameter :: r144b = 251
integer, parameter :: r149b = 252
integer, parameter :: r155b = 253
integer, parameter :: r159b = 254
integer, parameter :: r164b = 255
integer, parameter :: r166b = 256
integer, parameter :: r167b = 257
integer, parameter :: r168b = 258
integer, parameter :: r170b = 259
integer, parameter :: r172b = 260
integer, parameter :: r175b = 261
integer, parameter :: r176b = 262
integer, parameter :: r181b = 263
integer, parameter :: r182b = 264
integer, parameter :: r185b = 265
integer, parameter :: r186b = 266
integer, parameter :: r188b = 267
integer, parameter :: r199b = 268
! Index of third bodies
integer, parameter :: mM63 = 1
integer, parameter :: mM37 = 2
integer, parameter :: mM5 = 3
integer, parameter :: mM24 = 4
integer, parameter :: mM17 = 5
integer, parameter :: mM29 = 6
integer, parameter :: mM36 = 7
integer, parameter :: mM41 = 8
integer, parameter :: mM8 = 9
integer, parameter :: mM1 = 10
integer, parameter :: mM19 = 11
integer, parameter :: mM65 = 12
integer, parameter :: mM6 = 13
integer, parameter :: mM3 = 14
integer, parameter :: mM16 = 15
integer, parameter :: mM11 = 16
integer, parameter :: mM7 = 17
integer, parameter :: mM2 = 18
integer, parameter :: mM30 = 19
integer, parameter :: mM13 = 20
integer, parameter :: mM28 = 21
integer, parameter :: mM9 = 22
contains
! Name of mechanism
! subroutine which_mechanism
! use parallel
!implicit none
! if (irank.eq.iroot) print*, 'Using mechanism Spec_39_Reac_272_QSS.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
! 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) = 1
! Name of group of species
ppname(1) = trim(gname(sN2))
ppname(2) = trim(gname(sH))
ppname(3) = trim(gname(sH2))
ppname(4) = trim(gname(sO))
ppname(5) = trim(gname(sOH))
ppname(6) = trim(gname(sH2O))
ppname(7) = trim(gname(sH2O2))
ppname(8) = trim(gname(sO2))
ppname(9) = trim(gname(sHO2))
ppname(10) = trim(gname(sCH2))
ppname(11) = trim(gname(sCH2O))
ppname(12) = trim(gname(sCO2))
ppname(13) = trim(gname(sHCO))
ppname(14) = trim(gname(sCH2DXCH2))
ppname(15) = trim(gname(sCO))
ppname(16) = trim(gname(sCH3))
ppname(17) = trim(gname(sCH3O))
ppname(18) = trim(gname(sCH4))
ppname(19) = trim(gname(sC2H4))
ppname(20) = trim(gname(sC2H6))
ppname(21) = trim(gname(sC2H5))
ppname(22) = trim(gname(sCH2CO))
ppname(23) = trim(gname(sC2H2))
ppname(24) = trim(gname(sHCCO))
ppname(25) = trim(gname(sC2H3))
ppname(26) = trim(gname(sCH2CHO))
ppname(27) = trim(gname(sAXC3H5))
ppname(28) = trim(gname(sC3H6))
ppname(29) = trim(gname(sAXC3H4))
ppname(30) = trim(gname(sIXC4H8))
ppname(31) = trim(gname(sC5H6))
ppname(32) = trim(gname(sC6H5))
ppname(33) = trim(gname(sC6H5O))
ppname(34) = trim(gname(sC6H4O2))
ppname(35) = trim(gname(sC6H6))
ppname(36) = trim(gname(sC6H5CH3))
ppname(37) = trim(gname(sC6H5CH2))
ppname(38) = trim(gname(sC6H5CHO))
ppname(39) = trim(gname(sPOSF10325XC11H22))
ppname(40) = 'N2X'
end subroutine pp_data
! Molar mass
subroutine molar_mass
implicit none
W_sp(sN2) = 0.02802_pr
W_sp(sH) = 0.001008_pr
W_sp(sH2) = 0.002016_pr
W_sp(sO) = 0.016_pr
W_sp(sOH) = 0.017008_pr
W_sp(sH2O) = 0.018016_pr
W_sp(sH2O2) = 0.034016_pr
W_sp(sO2) = 0.032_pr
W_sp(sHO2) = 0.033008_pr
W_sp(sCH2) = 0.014026_pr
W_sp(sCH2O) = 0.030026_pr
W_sp(sCO2) = 0.04401_pr
W_sp(sHCO) = 0.029018_pr
W_sp(sCH2DXCH2) = 0.014026_pr
W_sp(sCO) = 0.02801_pr
W_sp(sCH3) = 0.015034_pr
W_sp(sCH3O) = 0.031034_pr
W_sp(sCH4) = 0.016042_pr
W_sp(sC2H4) = 0.028052_pr
W_sp(sC2H6) = 0.030068_pr
W_sp(sC2H5) = 0.02906_pr
W_sp(sCH2CO) = 0.042036_pr
W_sp(sC2H2) = 0.026036_pr
W_sp(sHCCO) = 0.041028_pr
W_sp(sC2H3) = 0.027044_pr
W_sp(sCH2CHO) = 0.043044_pr
W_sp(sAXC3H5) = 0.04107_pr
W_sp(sC3H6) = 0.042078_pr
W_sp(sAXC3H4) = 0.040062_pr
W_sp(sIXC4H8) = 0.056104_pr
W_sp(sC5H6) = 0.066098_pr
W_sp(sC6H5) = 0.0771_pr
W_sp(sC6H5O) = 0.0931_pr
W_sp(sC6H4O2) = 0.108092_pr
W_sp(sC6H6) = 0.078108_pr
W_sp(sC6H5CH3) = 0.092134_pr
W_sp(sC6H5CH2) = 0.091126_pr
W_sp(sC6H5CHO) = 0.106118_pr
W_sp(sPOSF10325XC11H22) = 0.154286_pr
end subroutine molar_mass
! Species names
subroutine species_name
implicit none
gname(sN2) = 'N2'
gname(sH) = 'H'
gname(sH2) = 'H2'
gname(sO) = 'O'
gname(sOH) = 'OH'
gname(sH2O) = 'H2O'
gname(sH2O2) = 'H2O2'
gname(sO2) = 'O2'
gname(sHO2) = 'HO2'
gname(sCH2) = 'CH2'
gname(sCH2O) = 'CH2O'
gname(sCO2) = 'CO2'
gname(sHCO) = 'HCO'
gname(sCH2DXCH2) = 'CH2D-CH2'
gname(sCO) = 'CO'
gname(sCH3) = 'CH3'
gname(sCH3O) = 'CH3O'
gname(sCH4) = 'CH4'
gname(sC2H4) = 'C2H4'
gname(sC2H6) = 'C2H6'
gname(sC2H5) = 'C2H5'
gname(sCH2CO) = 'CH2CO'
gname(sC2H2) = 'C2H2'
gname(sHCCO) = 'HCCO'
gname(sC2H3) = 'C2H3'
gname(sCH2CHO) = 'CH2CHO'
gname(sAXC3H5) = 'A-C3H5'
gname(sC3H6) = 'C3H6'
gname(sAXC3H4) = 'A-C3H4'
gname(sIXC4H8) = 'I-C4H8'
gname(sC5H6) = 'C5H6'
gname(sC6H5) = 'C6H5'
gname(sC6H5O) = 'C6H5O'
gname(sC6H4O2) = 'C6H4O2'
gname(sC6H6) = 'C6H6'
gname(sC6H5CH3) = 'C6H5CH3'
gname(sC6H5CH2) = 'C6H5CH2'
gname(sC6H5CHO) = 'C6H5CHO'
gname(sPOSF10325XC11H22) = 'POSF10325-C11H22'
end subroutine species_name
! Reaction names
subroutine reaction_name
implicit none
rname(r1) = '1'
rname(r2f) = '2f'
rname(r3) = '3'
rname(r4f) = '4f'
rname(r5f) = '5f'
rname(r6f) = '6f'
rname(r7f) = '7f'
rname(r8f) = '8f'
rname(r9f) = '9f'
rname(r10f) = '10f'
rname(r11) = '11'
rname(r12) = '12'
rname(r13) = '13'
rname(r14f) = '14f'
rname(r15) = '15'
rname(r16) = '16'
rname(r17) = '17'
rname(r18) = '18'
rname(r19) = '19'
rname(r20) = '20'
rname(r21) = '21'
rname(r22) = '22'
rname(r23f) = '23f'
rname(r24) = '24'
rname(r25f) = '25f'
rname(r26) = '26'
rname(r27) = '27'
rname(r28) = '28'
rname(r29) = '29'
rname(r30) = '30'
rname(r31f) = '31f'
rname(r32) = '32'
rname(r33) = '33'
rname(r34) = '34'
rname(r35f) = '35f'
rname(r36) = '36'
rname(r37) = '37'
rname(r38) = '38'
rname(r39) = '39'
rname(r40f) = '40f'
rname(r41f) = '41f'
rname(r42) = '42'
rname(r43f) = '43f'
rname(r44f) = '44f'
rname(r45) = '45'
rname(r46) = '46'
rname(r47f) = '47f'
rname(r48f) = '48f'
rname(r49) = '49'
rname(r50f) = '50f'
rname(r51f) = '51f'
rname(r52f) = '52f'
rname(r53f) = '53f'
rname(r54f) = '54f'
rname(r55f) = '55f'
rname(r56) = '56'
rname(r57f) = '57f'
rname(r58f) = '58f'
rname(r59f) = '59f'
rname(r60f) = '60f'
rname(r61) = '61'
rname(r62f) = '62f'
rname(r63) = '63'
rname(r64) = '64'
rname(r65) = '65'
rname(r66) = '66'
rname(r67) = '67'
rname(r68f) = '68f'
rname(r69) = '69'
rname(r70) = '70'
rname(r71) = '71'
rname(r72) = '72'
rname(r73) = '73'
rname(r74) = '74'
rname(r75f) = '75f'
rname(r76) = '76'
rname(r77) = '77'
rname(r78) = '78'
rname(r79) = '79'
rname(r80f) = '80f'
rname(r81) = '81'
rname(r82) = '82'
rname(r83) = '83'
rname(r84f) = '84f'
rname(r85f) = '85f'
rname(r86) = '86'
rname(r87f) = '87f'
rname(r88) = '88'
rname(r89) = '89'
rname(r90f) = '90f'
rname(r91) = '91'
rname(r92) = '92'
rname(r93) = '93'
rname(r94) = '94'
rname(r95f) = '95f'
rname(r96) = '96'
rname(r97) = '97'
rname(r99) = '99'
rname(r100f) = '100f'
rname(r101) = '101'
rname(r102f) = '102f'
rname(r103f) = '103f'
rname(r104f) = '104f'
rname(r105) = '105'
rname(r106f) = '106f'
rname(r107f) = '107f'
rname(r108f) = '108f'
rname(r109) = '109'
rname(r110) = '110'
rname(r111f) = '111f'
rname(r112f) = '112f'
rname(r113) = '113'
rname(r114) = '114'
rname(r115f) = '115f'
rname(r116) = '116'
rname(r117) = '117'
rname(r118) = '118'
rname(r119) = '119'
rname(r120) = '120'
rname(r121) = '121'
rname(r122) = '122'
rname(r123f) = '123f'
rname(r124) = '124'
rname(r125) = '125'
rname(r126f) = '126f'
rname(r127) = '127'
rname(r129) = '129'
rname(r131f) = '131f'
rname(r132f) = '132f'
rname(r133f) = '133f'
rname(r134) = '134'
rname(r135f) = '135f'
rname(r136) = '136'
rname(r137) = '137'
rname(r138f) = '138f'
rname(r139) = '139'
rname(r140) = '140'
rname(r141) = '141'
rname(r142) = '142'
rname(r143) = '143'
rname(r144f) = '144f'
rname(r145) = '145'
rname(r146) = '146'
rname(r147) = '147'
rname(r148) = '148'
rname(r149f) = '149f'
rname(r150) = '150'
rname(r151) = '151'
rname(r152) = '152'
rname(r154) = '154'
rname(r155f) = '155f'
rname(r156) = '156'
rname(r157) = '157'
rname(r158) = '158'
rname(r159f) = '159f'
rname(r160) = '160'
rname(r161) = '161'
rname(r162) = '162'
rname(r163) = '163'
rname(r164f) = '164f'
rname(r165) = '165'
rname(r166f) = '166f'
rname(r167f) = '167f'
rname(r168f) = '168f'
rname(r169) = '169'
rname(r170f) = '170f'
rname(r171) = '171'
rname(r172f) = '172f'
rname(r173) = '173'
rname(r174) = '174'
rname(r175f) = '175f'
rname(r176f) = '176f'
rname(r177) = '177'
rname(r178) = '178'
rname(r179) = '179'
rname(r180) = '180'
rname(r181f) = '181f'
rname(r182f) = '182f'
rname(r183) = '183'
rname(r184) = '184'
rname(r185f) = '185f'
rname(r186f) = '186f'
rname(r187) = '187'
rname(r188f) = '188f'
rname(r189) = '189'
rname(r190) = '190'
rname(r191) = '191'
rname(r192) = '192'
rname(r193) = '193'
rname(r194) = '194'
rname(r195) = '195'
rname(r196) = '196'
rname(r197) = '197'
rname(r198) = '198'
rname(r199f) = '199f'
rname(r2b) = '2b'
rname(r4b) = '4b'
rname(r5b) = '5b'
rname(r6b) = '6b'
rname(r7b) = '7b'
rname(r8b) = '8b'
rname(r9b) = '9b'
rname(r10b) = '10b'
rname(r14b) = '14b'
rname(r23b) = '23b'
rname(r25b) = '25b'
rname(r31b) = '31b'
rname(r35b) = '35b'
rname(r40b) = '40b'
rname(r41b) = '41b'
rname(r43b) = '43b'
rname(r44b) = '44b'
rname(r47b) = '47b'
rname(r48b) = '48b'
rname(r50b) = '50b'
rname(r51b) = '51b'
rname(r52b) = '52b'
rname(r53b) = '53b'
rname(r54b) = '54b'
rname(r55b) = '55b'
rname(r57b) = '57b'
rname(r58b) = '58b'
rname(r59b) = '59b'
rname(r60b) = '60b'
rname(r62b) = '62b'
rname(r68b) = '68b'
rname(r75b) = '75b'
rname(r80b) = '80b'
rname(r84b) = '84b'
rname(r85b) = '85b'
rname(r87b) = '87b'
rname(r90b) = '90b'
rname(r95b) = '95b'
rname(r100b) = '100b'
rname(r102b) = '102b'
rname(r103b) = '103b'
rname(r104b) = '104b'
rname(r106b) = '106b'
rname(r107b) = '107b'
rname(r108b) = '108b'
rname(r111b) = '111b'
rname(r112b) = '112b'
rname(r115b) = '115b'
rname(r123b) = '123b'
rname(r126b) = '126b'
rname(r131b) = '131b'
rname(r132b) = '132b'
rname(r133b) = '133b'
rname(r135b) = '135b'
rname(r138b) = '138b'
rname(r144b) = '144b'
rname(r149b) = '149b'
rname(r155b) = '155b'
rname(r159b) = '159b'
rname(r164b) = '164b'
rname(r166b) = '166b'
rname(r167b) = '167b'
rname(r168b) = '168b'
rname(r170b) = '170b'
rname(r172b) = '172b'
rname(r175b) = '175b'
rname(r176b) = '176b'
rname(r181b) = '181b'
rname(r182b) = '182b'
rname(r185b) = '185b'
rname(r186b) = '186b'
rname(r188b) = '188b'
rname(r199b) = '199b'
end subroutine reaction_name
! List of QSS species
subroutine QSS_list
implicit none
iqss(sN2) = 0
iqss(sH) = 0
iqss(sH2) = 0
iqss(sO) = 0
iqss(sOH) = 0
iqss(sH2O) = 0
iqss(sH2O2) = 0
iqss(sO2) = 0
iqss(sHO2) = 0
iqss(sCH2) = 1
iqss(sCH2O) = 0
iqss(sCO2) = 0
iqss(sHCO) = 1
iqss(sCH2DXCH2) = 1
iqss(sCO) = 0
iqss(sCH3) = 0
iqss(sCH3O) = 1
iqss(sCH4) = 0
iqss(sC2H4) = 0
iqss(sC2H6) = 0
iqss(sC2H5) = 1
iqss(sCH2CO) = 0
iqss(sC2H2) = 0
iqss(sHCCO) = 1
iqss(sC2H3) = 1
iqss(sCH2CHO) = 1
iqss(sAXC3H5) = 1
iqss(sC3H6) = 0
iqss(sAXC3H4) = 0
iqss(sIXC4H8) = 0
iqss(sC5H6) = 0
iqss(sC6H5) = 1
iqss(sC6H5O) = 0
iqss(sC6H4O2) = 0
iqss(sC6H6) = 0
iqss(sC6H5CH3) = 0
iqss(sC6H5CH2) = 1
iqss(sC6H5CHO) = 1
iqss(sPOSF10325XC11H22) = 0
end subroutine QSS_list
! Subroutine for pressure dependent coefficients
real(pr) function getlindratecoeff (Tloc,k0,kinf,fc,concin,Ploc)
implicit none
real(pr) :: Tloc,k0,kinf,fc,Ploc
real(pr), parameter :: R = 8.31434_pr
real(pr) :: ntmp,ccoeff,dcoeff,lgknull
real(pr) :: f
real(pr) :: conc, concin
if (concin.gt.0.0_pr) then
conc = concin
else
conc = Ploc / ( R * Tloc )
end if
ntmp = 0.75_pr - 1.27_pr * dlog10( fc )
ccoeff = - 0.4_pr - 0.67_pr * dlog10( fc )
dcoeff = 0.14_pr
k0 = k0 * conc / max(kinf, 1.0e-60_pr)
lgknull = dlog10(k0)
f = (lgknull+ccoeff)/(ntmp-dcoeff*(lgknull+ccoeff))
f = fc**(1.0_pr / ( f * f + 1.0_pr ))
getlindratecoeff = kinf * f * k0 / ( 1.0_pr + k0 )
end function getlindratecoeff
subroutine YtoC(c,P,T,Y)
implicit none
real(pr), dimension(nspec) :: c,Y
real(pr) :: bla, P, T
integer :: K
call molar_mass
c(sN2) = Y(sN2) / W_sp(sN2)
c(sH) = Y(sH) / W_sp(sH)
c(sH2) = Y(sH2) / W_sp(sH2)
c(sO) = Y(sO) / W_sp(sO)
c(sOH) = Y(sOH) / W_sp(sOH)
c(sH2O) = Y(sH2O) / W_sp(sH2O)
c(sH2O2) = Y(sH2O2) / W_sp(sH2O2)
c(sO2) = Y(sO2) / W_sp(sO2)
c(sHO2) = Y(sHO2) / W_sp(sHO2)
!c(sCH2) = Y(sCH2) / W_sp(sCH2)
c(sCH2O) = Y(sCH2O) / W_sp(sCH2O)
c(sCO2) = Y(sCO2) / W_sp(sCO2)
!c(sHCO) = Y(sHCO) / W_sp(sHCO)
!c(sCH2DXCH2) = Y(sCH2DXCH2) / W_sp(sCH2DXCH2)
c(sCO) = Y(sCO) / W_sp(sCO)
c(sCH3) = Y(sCH3) / W_sp(sCH3)
!c(sCH3O) = Y(sCH3O) / W_sp(sCH3O)
c(sCH4) = Y(sCH4) / W_sp(sCH4)
c(sC2H4) = Y(sC2H4) / W_sp(sC2H4)
c(sC2H6) = Y(sC2H6) / W_sp(sC2H6)
!c(sC2H5) = Y(sC2H5) / W_sp(sC2H5)
c(sCH2CO) = Y(sCH2CO) / W_sp(sCH2CO)
c(sC2H2) = Y(sC2H2) / W_sp(sC2H2)
!c(sHCCO) = Y(sHCCO) / W_sp(sHCCO)
!c(sC2H3) = Y(sC2H3) / W_sp(sC2H3)
!c(sCH2CHO) = Y(sCH2CHO) / W_sp(sCH2CHO)
!c(sAXC3H5) = Y(sAXC3H5) / W_sp(sAXC3H5)
c(sC3H6) = Y(sC3H6) / W_sp(sC3H6)
c(sAXC3H4) = Y(sAXC3H4) / W_sp(sAXC3H4)
c(sIXC4H8) = Y(sIXC4H8) / W_sp(sIXC4H8)
c(sC5H6) = Y(sC5H6) / W_sp(sC5H6)
!c(sC6H5) = Y(sC6H5) / W_sp(sC6H5)
c(sC6H5O) = Y(sC6H5O) / W_sp(sC6H5O)
c(sC6H4O2) = Y(sC6H4O2) / W_sp(sC6H4O2)
c(sC6H6) = Y(sC6H6) / W_sp(sC6H6)
c(sC6H5CH3) = Y(sC6H5CH3) / W_sp(sC6H5CH3)
!c(sC6H5CH2) = Y(sC6H5CH2) / W_sp(sC6H5CH2)
!c(sC6H5CHO) = Y(sC6H5CHO) / W_sp(sC6H5CHO)
c(sPOSF10325XC11H22) = Y(sPOSF10325XC11H22) / &
W_sp(sPOSF10325XC11H22)
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) = 296.716630977873 * ( 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) = 296.716630977873 * ((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) = 296.716630977873 * ( (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) = 8248.01587301587 * ( 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) = 8248.01587301587 * ((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) = 8248.01587301587 * ( (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) = 4124.00793650794 * ( 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) = 4124.00793650794 * ((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) = 4124.00793650794 * ( (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) = 519.625 * ( 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) = 519.625 * ((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) = 519.625 * ( (2.56942078e+00_pr)
!!! & + T *((-8.59741137e-05_pr)
!!! & + T *((4.19484589e-08_pr)
!!! & + T *((-1.00177799e-11_pr)
!!! & + T *((1.22833691e-15_pr))))) )
!!! H(sOH) = 488.828786453434 * ( T * ((2.86472886e+00_pr)
!!! & + T *((0.00052825224_pr)
!!! & + T *((-8.63609193333333e-08_pr)
!!! & + T *((7.63046685e-12_pr)
!!! & + T *((-2.66391752e-16_pr)))))) + (3.71885774e+03_pr))
!!! Cp(sOH) = 488.828786453434 * ((2.86472886e+00_pr)
!!! & + T *((1.05650448e-03_pr)
!!! & + T *((-2.59082758e-07_pr)
!!! & + T *((3.05218674e-11_pr)
!!! & + T *(-1.33195876e-15_pr)))))
!!! dH(sOH) = 488.828786453434 * ( (2.86472886e+00_pr)
!!! & + T *((1.05650448e-03_pr)
!!! & + T *((-2.59082758e-07_pr)
!!! & + T *((3.05218674e-11_pr)
!!! & + T *((-1.33195876e-15_pr))))) )
!!! H(sH2O) = 461.478685612789 * ( 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) = 461.478685612789 * ((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) = 461.478685612789 * ( (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) = 244.414393226717 * ( 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) = 244.414393226717 * ((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) = 244.414393226717 * ( (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(sO2) = 259.8125 * ( 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) = 259.8125 * ((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) = 259.8125 * ( (3.28253784e+00_pr)
!!! & + T *((1.48308754e-03_pr)
!!! & + T *((-7.57966669e-07_pr)
!!! & + T *((2.09470555e-10_pr)
!!! & + T *((-2.16717794e-14_pr))))) )
!!! H(sHO2) = 251.878332525448 * ( 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) = 251.878332525448 * ((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) = 251.878332525448 * ( (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(sCH2) = 592.756309710538 * ( 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) = 592.756309710538 * ((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) = 592.756309710538 * ( (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(sCH2O) = 276.89335908879 * ( 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) = 276.89335908879 * ((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) = 276.89335908879 * ( (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(sCO2) = 188.911610997501 * ( 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) = 188.911610997501 * ((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) = 188.911610997501 * ( (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(sHCO) = 286.5118202495 * ( 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) = 286.5118202495 * ((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) = 286.5118202495 * ( (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(sCH2DXCH2) = 592.756309710538 * ( T * ((2.29203842e+00_pr)
!!! & + T *((0.002327943185_pr)
!!! & + T *((-6.70639823333333e-07_pr)
!!! & + T *((1.044765e-10_pr)
!!! & + T *((-6.7943273e-15_pr)))))) + (5.09259997e+04_pr))
!!! Cp(sCH2DXCH2) = 592.756309710538 * ((2.29203842e+00_pr)
!!! & + T *((4.65588637e-03_pr)
!!! & + T *((-2.01191947e-06_pr)
!!! & + T *((4.17906000e-10_pr)
!!! & + T *(-3.39716365e-14_pr)))))
!!! dH(sCH2DXCH2) = 592.756309710538 * ( (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(sCO) = 296.822563370225 * ( 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) = 296.822563370225 * ((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) = 296.822563370225 * ( (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(sCH3) = 553.013170147665 * ( 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) = 553.013170147665 * ((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) = 553.013170147665 * ( (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(sCH3O) = 267.899722884578 * ( T * ((4.75779238e+00_pr)
!!! & + T *((0.00372071237_pr)
!!! & + T *((-8.99017253333333e-07_pr)
!!! & + T *((1.09522626e-10_pr)
!!! & + T *((-5.27074196e-15_pr)))))) + (3.78111940e+02_pr))
!!! Cp(sCH3O) = 267.899722884578 * ((4.75779238e+00_pr)
!!! & + T *((7.44142474e-03_pr)
!!! & + T *((-2.69705176e-06_pr)
!!! & + T *((4.38090504e-10_pr)
!!! & + T *(-2.63537098e-14_pr)))))
!!! dH(sCH3O) = 267.899722884578 * ( (4.75779238e+00_pr)
!!! & + T *((7.44142474e-03_pr)
!!! & + T *((-2.69705176e-06_pr)
!!! & + T *((4.38090504e-10_pr)
!!! & + T *((-2.63537098e-14_pr))))) )
!!! H(sCH4) = 518.264555541703 * ( 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) = 518.264555541703 * ((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) = 518.264555541703 * ( (7.48514950e-02_pr)
!!! & + T *((1.33909467e-02_pr)
!!! & + T *((-5.73285809e-06_pr)
!!! & + T *((1.22292535e-09_pr)
!!! & + T *((-1.01815230e-13_pr))))) )
!!! H(sC2H4) = 296.378154855269 * ( 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) = 296.378154855269 * ((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) = 296.378154855269 * ( (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(sC2H6) = 276.506585073833 * ( 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) = 276.506585073833 * ((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) = 276.506585073833 * ( (1.07188150e+00_pr)
!!! & + T *((2.16852677e-02_pr)
!!! & + T *((-1.00256067e-05_pr)
!!! & + T *((2.21412001e-09_pr)
!!! & + T *((-1.90002890e-13_pr))))) )
!!! H(sC2H5) = 286.097728836889 * ( 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) = 286.097728836889 * ((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) = 286.097728836889 * ( (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(sCH2CO) = 197.782852792844 * ( T * ((4.51129732e+00_pr)
!!! & + T *((0.004501798725_pr)
!!! & + T *((-1.38979878333333e-06_pr)
!!! & + T *((2.308364705e-10_pr)
!!! & + T *((-1.589676402e-14_pr)))))) + (-7.77850000e+03_pr))
!!! Cp(sCH2CO) = 197.782852792844 * ((4.51129732e+00_pr)
!!! & + T *((9.00359745e-03_pr)
!!! & + T *((-4.16939635e-06_pr)
!!! & + T *((9.23345882e-10_pr)
!!! & + T *(-7.94838201e-14_pr)))))
!!! dH(sCH2CO) = 197.782852792844 * ( (4.51129732e+00_pr)
!!! & + T *((9.00359745e-03_pr)
!!! & + T *((-4.16939635e-06_pr)
!!! & + T *((9.23345882e-10_pr)
!!! & + T *((-7.94838201e-14_pr))))) )
!!! H(sC2H2) = 319.327085573821 * ( 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) = 319.327085573821 * ((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) = 319.327085573821 * ( (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(sHCCO) = 202.64209807936 * ( 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) = 202.64209807936 * ((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) = 202.64209807936 * ( (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(sC2H3) = 307.424937139476 * ( 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) = 307.424937139476 * ((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) = 307.424937139476 * ( (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(sCH2CHO) = 193.15119412694 * ( T * ((5.97566990e+00_pr)
!!! & + T *((0.0040652957_pr)
!!! & + T *((-9.145415e-07_pr)
!!! & + T *((1.017576025e-10_pr)
!!! & + T *((-4.3520342e-15_pr)))))) + (-9.69500000e+02_pr))
!!! Cp(sCH2CHO) = 193.15119412694 * ((5.97566990e+00_pr)
!!! & + T *((8.13059140e-03_pr)
!!! & + T *((-2.74362450e-06_pr)
!!! & + T *((4.07030410e-10_pr)
!!! & + T *(-2.17601710e-14_pr)))))
!!! dH(sCH2CHO) = 193.15119412694 * ( (5.97566990e+00_pr)
!!! & + T *((8.13059140e-03_pr)
!!! & + T *((-2.74362450e-06_pr)
!!! & + T *((4.07030410e-10_pr)
!!! & + T *((-2.17601710e-14_pr))))) )
!!! H(sAXC3H5) = 202.434867299732 * ( T * ((6.50078770e+00_pr)
!!! & + T *((0.0071623655_pr)
!!! & + T *((-1.89272106666667e-06_pr)
!!! & + T *((2.77020025e-10_pr)
!!! & + T *((-1.80727774e-14_pr)))))) + (1.74824490e+04_pr))
!!! Cp(sAXC3H5) = 202.434867299732 * ((6.50078770e+00_pr)
!!! & + T *((1.43247310e-02_pr)
!!! & + T *((-5.67816320e-06_pr)
!!! & + T *((1.10808010e-09_pr)
!!! & + T *(-9.03638870e-14_pr)))))
!!! dH(sAXC3H5) = 202.434867299732 * ( (6.50078770e+00_pr)
!!! & + T *((1.43247310e-02_pr)
!!! & + T *((-5.67816320e-06_pr)
!!! & + T *((1.10808010e-09_pr)
!!! & + T *((-9.03638870e-14_pr))))) )
!!! H(sC3H6) = 197.585436570179 * ( T * ((6.73225700e+00_pr)
!!! & + T *((0.00745417_pr)
!!! & + T *((-1.64996633333333e-06_pr)
!!! & + T *((1.8030055e-10_pr)
!!! & + T *((-7.532408e-15_pr)))))) + (-9.23570300e+02_pr))
!!! Cp(sC3H6) = 197.585436570179 * ((6.73225700e+00_pr)
!!! & + T *((1.49083400e-02_pr)
!!! & + T *((-4.94989900e-06_pr)
!!! & + T *((7.21202200e-10_pr)
!!! & + T *(-3.76620400e-14_pr)))))
!!! dH(sC3H6) = 197.585436570179 * ( (6.73225700e+00_pr)
!!! & + T *((1.49083400e-02_pr)
!!! & + T *((-4.94989900e-06_pr)
!!! & + T *((7.21202200e-10_pr)
!!! & + T *((-3.76620400e-14_pr))))) )
!!! H(sAXC3H4) = 207.528331086815 * ( T * ((6.31687220e+00_pr)
!!! & + T *((0.005566864_pr)
!!! & + T *((-1.32097926666667e-06_pr)
!!! & + T *((1.58910595e-10_pr)
!!! & + T *((-7.575108e-15_pr)))))) + (2.01174950e+04_pr))
!!! Cp(sAXC3H4) = 207.528331086815 * ((6.31687220e+00_pr)
!!! & + T *((1.11337280e-02_pr)
!!! & + T *((-3.96293780e-06_pr)
!!! & + T *((6.35642380e-10_pr)
!!! & + T *(-3.78755400e-14_pr)))))
!!! dH(sAXC3H4) = 207.528331086815 * ( (6.31687220e+00_pr)
!!! & + T *((1.11337280e-02_pr)
!!! & + T *((-3.96293780e-06_pr)
!!! & + T *((6.35642380e-10_pr)
!!! & + T *((-3.78755400e-14_pr))))) )
!!! H(sIXC4H8) = 148.189077427634 * ( T * ((4.46094700e+00_pr)
!!! & + T *((0.0148057435_pr)
!!! & + T *((-4.359043e-06_pr)
!!! & + T *((6.6429835e-10_pr)
!!! & + T *((-4.0269426e-14_pr)))))) + (-5.00667580e+03_pr))
!!! Cp(sIXC4H8) = 148.189077427634 * ((4.46094700e+00_pr)
!!! & + T *((2.96114870e-02_pr)
!!! & + T *((-1.30771290e-05_pr)
!!! & + T *((2.65719340e-09_pr)
!!! & + T *(-2.01347130e-13_pr)))))
!!! dH(sIXC4H8) = 148.189077427634 * ( (4.46094700e+00_pr)
!!! & + T *((2.96114870e-02_pr)
!!! & + T *((-1.30771290e-05_pr)
!!! & + T *((2.65719340e-09_pr)
!!! & + T *((-2.01347130e-13_pr))))) )
!!! H(sC5H6) = 125.782928379073 * ( T * ((9.97578480e+00_pr)
!!! & + T *((0.0094527715_pr)
!!! & + T *((-2.28038203333333e-06_pr)
!!! & + T *((2.774835e-10_pr)
!!! & + T *((-1.33360472e-14_pr)))))) + (1.10816930e+04_pr))
!!! Cp(sC5H6) = 125.782928379073 * ((9.97578480e+00_pr)
!!! & + T *((1.89055430e-02_pr)
!!! & + T *((-6.84114610e-06_pr)
!!! & + T *((1.10993400e-09_pr)
!!! & + T *(-6.66802360e-14_pr)))))
!!! dH(sC5H6) = 125.782928379073 * ( (9.97578480e+00_pr)
!!! & + T *((1.89055430e-02_pr)
!!! & + T *((-6.84114610e-06_pr)
!!! & + T *((1.10993400e-09_pr)
!!! & + T *((-6.66802360e-14_pr))))) )
!!! H(sC6H5) = 107.833981841764 * ( T * ((8.59731100e+00_pr)
!!! & + T *((0.011120815_pr)
!!! & + T *((-2.90666593333333e-06_pr)
!!! & + T *((3.44719625e-10_pr)
!!! & + T *((-1.06292112e-14_pr)))))) + (3.62610470e+04_pr))
!!! Cp(sC6H5) = 107.833981841764 * ((8.59731100e+00_pr)
!!! & + T *((2.22416300e-02_pr)
!!! & + T *((-8.71999780e-06_pr)
!!! & + T *((1.37887850e-09_pr)
!!! & + T *(-5.31460560e-14_pr)))))
!!! dH(sC6H5) = 107.833981841764 * ( (8.59731100e+00_pr)
!!! & + T *((2.22416300e-02_pr)
!!! & + T *((-8.71999780e-06_pr)
!!! & + T *((1.37887850e-09_pr)
!!! & + T *((-5.31460560e-14_pr))))) )
!!! H(sC6H5O) = 89.3018259935553 * ( T * ((1.37221720e+01_pr)
!!! & + T *((0.00873443855_pr)
!!! & + T *((-2.1183484e-06_pr)
!!! & + T *((2.5873077e-10_pr)
!!! & + T *((-1.246821008e-14_pr)))))) + (2.87274751e+02_pr))
!!! Cp(sC6H5O) = 89.3018259935553 * ((1.37221720e+01_pr)
!!! & + T *((1.74688771e-02_pr)
!!! & + T *((-6.35504520e-06_pr)
!!! & + T *((1.03492308e-09_pr)
!!! & + T *(-6.23410504e-14_pr)))))
!!! dH(sC6H5O) = 89.3018259935553 * ( (1.37221720e+01_pr)
!!! & + T *((1.74688771e-02_pr)
!!! & + T *((-6.35504520e-06_pr)
!!! & + T *((1.03492308e-09_pr)
!!! & + T *((-6.23410504e-14_pr))))) )
!!! H(sC6H4O2) = 76.9159604781112 * ( T * ((1.17308400e+01_pr)
!!! & + T *((0.0118074975_pr)
!!! & + T *((-3.41152533333333e-06_pr)
!!! & + T *((4.8830435e-10_pr)
!!! & + T *((-2.5492044e-14_pr)))))) + (-2.10857700e+04_pr))
!!! Cp(sC6H4O2) = 76.9159604781112 * ((1.17308400e+01_pr)
!!! & + T *((2.36149950e-02_pr)
!!! & + T *((-1.02345760e-05_pr)
!!! & + T *((1.95321740e-09_pr)
!!! & + T *(-1.27460220e-13_pr)))))
!!! dH(sC6H4O2) = 76.9159604781112 * ( (1.17308400e+01_pr)
!!! & + T *((2.36149950e-02_pr)
!!! & + T *((-1.02345760e-05_pr)
!!! & + T *((1.95321740e-09_pr)
!!! & + T *((-1.27460220e-13_pr))))) )
!!! H(sC6H6) = 106.44236185794 * ( T * ((9.13812450e+00_pr)
!!! & + T *((0.0119272165_pr)
!!! & + T *((-2.93759086666667e-06_pr)
!!! & + T *((3.02475525e-10_pr)
!!! & + T *((-3.6443006e-15_pr)))))) + (5.20434620e+03_pr))
!!! Cp(sC6H6) = 106.44236185794 * ((9.13812450e+00_pr)
!!! & + T *((2.38544330e-02_pr)
!!! & + T *((-8.81277260e-06_pr)
!!! & + T *((1.20990210e-09_pr)
!!! & + T *(-1.82215030e-14_pr)))))
!!! dH(sC6H6) = 106.44236185794 * ( (9.13812450e+00_pr)
!!! & + T *((2.38544330e-02_pr)
!!! & + T *((-8.81277260e-06_pr)
!!! & + T *((1.20990210e-09_pr)
!!! & + T *((-1.82215030e-14_pr))))) )
!!! H(sC6H5CH3) = 90.2381314172835 * ( T * ((1.29400340e+01_pr)
!!! & + T *((0.0133456435_pr)
!!! & + T *((-3.22795016666667e-06_pr)
!!! & + T *((3.93465725e-10_pr)
!!! & + T *((-1.89327202e-14_pr)))))) + (-6.97649080e+02_pr))
!!! Cp(sC6H5CH3) = 90.2381314172835 * ((1.29400340e+01_pr)
!!! & + T *((2.66912870e-02_pr)
!!! & + T *((-9.68385050e-06_pr)
!!! & + T *((1.57386290e-09_pr)
!!! & + T *(-9.46636010e-14_pr)))))
!!! dH(sC6H5CH3) = 90.2381314172835 * ( (1.29400340e+01_pr)
!!! & + T *((2.66912870e-02_pr)
!!! & + T *((-9.68385050e-06_pr)
!!! & + T *((1.57386290e-09_pr)
!!! & + T *((-9.46636010e-14_pr))))) )
!!! H(sC6H5CH2) = 91.2363101639488 * ( T * ((1.40439800e+01_pr)
!!! & + T *((0.0117469365_pr)
!!! & + T *((-2.84584556666667e-06_pr)
!!! & + T *((3.47271025e-10_pr)
!!! & + T *((-1.6722884e-14_pr)))))) + (1.85642030e+04_pr))
!!! Cp(sC6H5CH2) = 91.2363101639488 * ((1.40439800e+01_pr)
!!! & + T *((2.34938730e-02_pr)
!!! & + T *((-8.53753670e-06_pr)
!!! & + T *((1.38908410e-09_pr)
!!! & + T *(-8.36144200e-14_pr)))))
!!! dH(sC6H5CH2) = 91.2363101639488 * ( (1.40439800e+01_pr)
!!! & + T *((2.34938730e-02_pr)
!!! & + T *((-8.53753670e-06_pr)
!!! & + T *((1.38908410e-09_pr)
!!! & + T *((-8.36144200e-14_pr))))) )
!!! H(sC6H5CHO) = 78.3467460751239 * ( T * ((1.36507370e+01_pr)
!!! & + T *((0.0128402095_pr)
!!! & + T *((-3.48890966666667e-06_pr)
!!! & + T *((4.8533575e-10_pr)
!!! & + T *((-2.6967584e-14_pr)))))) + (-1.10197440e+04_pr))
!!! Cp(sC6H5CHO) = 78.3467460751239 * ((1.36507370e+01_pr)
!!! & + T *((2.56804190e-02_pr)
!!! & + T *((-1.04667290e-05_pr)
!!! & + T *((1.94134300e-09_pr)
!!! & + T *(-1.34837920e-13_pr)))))
!!! dH(sC6H5CHO) = 78.3467460751239 * ( (1.36507370e+01_pr)
!!! & + T *((2.56804190e-02_pr)
!!! & + T *((-1.04667290e-05_pr)
!!! & + T *((1.94134300e-09_pr)
!!! & + T *((-1.34837920e-13_pr))))) )
!!! H(sPOSF10325XC11H22) = 53.8869372464125 * ( T *
!!! & ((2.32281630e+01_pr)
!!! & + T *((0.033094194_pr)
!!! & + T *((-8.05283333333333e-06_pr)
!!! & + T *((8.96637425e-10_pr)
!!! & + T *((-2.0453796e-14_pr)))))) + (-4.87788160e+04_pr))
!!! Cp(sPOSF10325XC11H22) = 53.8869372464125 *
!!! & ((2.32281630e+01_pr)
!!! & + T *((6.61883880e-02_pr)
!!! & + T *((-2.41585000e-05_pr)
!!! & + T *((3.58654970e-09_pr)
!!! & + T *(-1.02268980e-13_pr)))))
!!! dH(sPOSF10325XC11H22) = 53.8869372464125 *
!!! & ( (2.32281630e+01_pr)
!!! & + T *((6.61883880e-02_pr)
!!! & + T *((-2.41585000e-05_pr)
!!! & + T *((3.58654970e-09_pr)
!!! & + T *((-1.02268980e-13_pr))))) )
!!! else
!!! H(sN2) = 296.716630977873 * ( 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) = 296.716630977873 * ((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) = 296.716630977873 * ( (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) = 8248.01587301587 * ( 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) = 8248.01587301587 * ((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) = 8248.01587301587 * ( (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) = 4124.00793650794 * ( 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) = 4124.00793650794 * ((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) = 4124.00793650794 * ( (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) = 519.625 * ( 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) = 519.625 * ((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) = 519.625 * ( (3.16826710e+00_pr)
!!! & + T *((-3.27931884e-03_pr)
!!! & + T *((6.64306396e-06_pr)
!!! & + T *((-6.12806624e-09_pr)
!!! & + T *((2.11265971e-12_pr))))) )
!!! H(sOH) = 488.828786453434 * ( T * ((4.12530561e+00_pr)
!!! & + T *((-0.001612724695_pr)
!!! & + T *((2.17588230333333e-06_pr)
!!! & + T *((-1.4496341075e-09_pr)
!!! & + T *((4.12474758e-13_pr)))))) + (3.38153812e+03_pr))
!!! Cp(sOH) = 488.828786453434 * ((4.12530561e+00_pr)
!!! & + T *((-3.22544939e-03_pr)
!!! & + T *((6.52764691e-06_pr)
!!! & + T *((-5.79853643e-09_pr)
!!! & + T *(2.06237379e-12_pr)))))
!!! dH(sOH) = 488.828786453434 * ( (4.12530561e+00_pr)
!!! & + T *((-3.22544939e-03_pr)
!!! & + T *((6.52764691e-06_pr)
!!! & + T *((-5.79853643e-09_pr)
!!! & + T *((2.06237379e-12_pr))))) )
!!! H(sH2O) = 461.478685612789 * ( 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) = 461.478685612789 * ((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) = 461.478685612789 * ( (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) = 244.414393226717 * ( 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) = 244.414393226717 * ((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) = 244.414393226717 * ( (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(sO2) = 259.8125 * ( 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) = 259.8125 * ((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) = 259.8125 * ( (3.78245636e+00_pr)
!!! & + T *((-2.99673416e-03_pr)
!!! & + T *((9.84730201e-06_pr)
!!! & + T *((-9.68129509e-09_pr)
!!! & + T *((3.24372837e-12_pr))))) )
!!! H(sHO2) = 251.878332525448 * ( 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) = 251.878332525448 * ((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) = 251.878332525448 * ( (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(sCH2) = 592.756309710538 * ( 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) = 592.756309710538 * ((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) = 592.756309710538 * ( (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(sCH2O) = 276.89335908879 * ( 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) = 276.89335908879 * ((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) = 276.89335908879 * ( (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(sCO2) = 188.911610997501 * ( 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) = 188.911610997501 * ((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) = 188.911610997501 * ( (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(sHCO) = 286.5118202495 * ( 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) = 286.5118202495 * ((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) = 286.5118202495 * ( (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(sCH2DXCH2) = 592.756309710538 * ( T * ((4.19860411e+00_pr)
!!! & + T *((-0.001183307095_pr)
!!! & + T *((2.74432073333333e-06_pr)
!!! & + T *((-1.6720399525e-09_pr)
!!! & + T *((3.88629474e-13_pr)))))) + (5.04968163e+04_pr))
!!! Cp(sCH2DXCH2) = 592.756309710538 * ((4.19860411e+00_pr)
!!! & + T *((-2.36661419e-03_pr)
!!! & + T *((8.23296220e-06_pr)
!!! & + T *((-6.68815981e-09_pr)
!!! & + T *(1.94314737e-12_pr)))))
!!! dH(sCH2DXCH2) = 592.756309710538 * ( (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(sCO) = 296.822563370225 * ( 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) = 296.822563370225 * ((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) = 296.822563370225 * ( (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(sCH3) = 553.013170147665 * ( 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) = 553.013170147665 * ((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) = 553.013170147665 * ( (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(sCH3O) = 267.899722884578 * ( T * ((3.71180502e+00_pr)
!!! & + T *((-0.00140231653_pr)
!!! & + T *((1.25516990333333e-05_pr)
!!! & + T *((-1.1826802225e-08_pr)
!!! & + T *((3.7317684e-12_pr)))))) + (1.29569760e+03_pr))
!!! Cp(sCH3O) = 267.899722884578 * ((3.71180502e+00_pr)
!!! & + T *((-2.80463306e-03_pr)
!!! & + T *((3.76550971e-05_pr)
!!! & + T *((-4.73072089e-08_pr)
!!! & + T *(1.86588420e-11_pr)))))
!!! dH(sCH3O) = 267.899722884578 * ( (3.71180502e+00_pr)
!!! & + T *((-2.80463306e-03_pr)
!!! & + T *((3.76550971e-05_pr)
!!! & + T *((-4.73072089e-08_pr)
!!! & + T *((1.86588420e-11_pr))))) )
!!! H(sCH4) = 518.264555541703 * ( 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) = 518.264555541703 * ((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) = 518.264555541703 * ( (5.14987613e+00_pr)
!!! & + T *((-1.36709788e-02_pr)
!!! & + T *((4.91800599e-05_pr)
!!! & + T *((-4.84743026e-08_pr)
!!! & + T *((1.66693956e-11_pr))))) )
!!! H(sC2H4) = 296.378154855269 * ( 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) = 296.378154855269 * ((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) = 296.378154855269 * ( (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(sC2H6) = 276.506585073833 * ( 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) = 276.506585073833 * ((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) = 276.506585073833 * ( (4.29142492e+00_pr)
!!! & + T *((-5.50154270e-03_pr)
!!! & + T *((5.99438288e-05_pr)
!!! & + T *((-7.08466285e-08_pr)
!!! & + T *((2.68685771e-11_pr))))) )
!!! H(sC2H5) = 286.097728836889 * ( 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) = 286.097728836889 * ((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) = 286.097728836889 * ( (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(sCH2CO) = 197.782852792844 * ( T * ((2.13583630e+00_pr)
!!! & + T *((0.00905943605_pr)
!!! & + T *((-5.79824913333333e-06_pr)
!!! & + T *((2.33599392e-09_pr)
!!! & + T *((-4.0291523e-13_pr)))))) + (-7.27000000e+03_pr))
!!! Cp(sCH2CO) = 197.782852792844 * ((2.13583630e+00_pr)
!!! & + T *((1.81188721e-02_pr)
!!! & + T *((-1.73947474e-05_pr)
!!! & + T *((9.34397568e-09_pr)
!!! & + T *(-2.01457615e-12_pr)))))
!!! dH(sCH2CO) = 197.782852792844 * ( (2.13583630e+00_pr)
!!! & + T *((1.81188721e-02_pr)
!!! & + T *((-1.73947474e-05_pr)
!!! & + T *((9.34397568e-09_pr)
!!! & + T *((-2.01457615e-12_pr))))) )
!!! H(sC2H2) = 319.327085573821 * ( 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) = 319.327085573821 * ((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) = 319.327085573821 * ( (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(sHCCO) = 202.64209807936 * ( 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) = 202.64209807936 * ((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) = 202.64209807936 * ( (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(sC2H3) = 307.424937139476 * ( 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) = 307.424937139476 * ((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) = 307.424937139476 * ( (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(sCH2CHO) = 193.15119412694 * ( T * ((3.40906240e+00_pr)
!!! & + T *((0.005369287_pr)
!!! & + T *((6.304975e-07_pr)
!!! & + T *((-1.789645775e-09_pr)
!!! & + T *((5.7347702e-13_pr)))))) + (6.20000000e+01_pr))
!!! Cp(sCH2CHO) = 193.15119412694 * ((3.40906240e+00_pr)
!!! & + T *((1.07385740e-02_pr)
!!! & + T *((1.89149250e-06_pr)
!!! & + T *((-7.15858310e-09_pr)
!!! & + T *(2.86738510e-12_pr)))))
!!! dH(sCH2CHO) = 193.15119412694 * ( (3.40906240e+00_pr)
!!! & + T *((1.07385740e-02_pr)
!!! & + T *((1.89149250e-06_pr)
!!! & + T *((-7.15858310e-09_pr)
!!! & + T *((2.86738510e-12_pr))))) )
!!! H(sAXC3H5) = 202.434867299732 * ( T * ((1.36318350e+00_pr)
!!! & + T *((0.0099069105_pr)
!!! & + T *((4.16568666666667e-06_pr)
!!! & + T *((-8.33888875e-09_pr)
!!! & + T *((3.1693142e-12_pr)))))) + (1.92456290e+04_pr))
!!! Cp(sAXC3H5) = 202.434867299732 * ((1.36318350e+00_pr)
!!! & + T *((1.98138210e-02_pr)
!!! & + T *((1.24970600e-05_pr)
!!! & + T *((-3.33555550e-08_pr)
!!! & + T *(1.58465710e-11_pr)))))
!!! dH(sAXC3H5) = 202.434867299732 * ( (1.36318350e+00_pr)
!!! & + T *((1.98138210e-02_pr)
!!! & + T *((1.24970600e-05_pr)
!!! & + T *((-3.33555550e-08_pr)
!!! & + T *((1.58465710e-11_pr))))) )
!!! H(sC3H6) = 197.585436570179 * ( T * ((1.49330700e+00_pr)
!!! & + T *((0.01046259_pr)
!!! & + T *((1.495598e-06_pr)
!!! & + T *((-4.17228e-09_pr)
!!! & + T *((1.4316292e-12_pr)))))) + (1.07482600e+03_pr))
!!! Cp(sC3H6) = 197.585436570179 * ((1.49330700e+00_pr)
!!! & + T *((2.09251800e-02_pr)
!!! & + T *((4.48679400e-06_pr)
!!! & + T *((-1.66891200e-08_pr)
!!! & + T *(7.15814600e-12_pr)))))
!!! dH(sC3H6) = 197.585436570179 * ( (1.49330700e+00_pr)
!!! & + T *((2.09251800e-02_pr)
!!! & + T *((4.48679400e-06_pr)
!!! & + T *((-1.66891200e-08_pr)
!!! & + T *((7.15814600e-12_pr))))) )
!!! H(sAXC3H4) = 207.528331086815 * ( T * ((2.61304450e+00_pr)
!!! & + T *((0.0060612875_pr)
!!! & + T *((6.17996e-06_pr)
!!! & + T *((-8.63128725e-09_pr)
!!! & + T *((3.0670158e-12_pr)))))) + (2.15415670e+04_pr))
!!! Cp(sAXC3H4) = 207.528331086815 * ((2.61304450e+00_pr)
!!! & + T *((1.21225750e-02_pr)
!!! & + T *((1.85398800e-05_pr)
!!! & + T *((-3.45251490e-08_pr)
!!! & + T *(1.53350790e-11_pr)))))
!!! dH(sAXC3H4) = 207.528331086815 * ( (2.61304450e+00_pr)
!!! & + T *((1.21225750e-02_pr)
!!! & + T *((1.85398800e-05_pr)
!!! & + T *((-3.45251490e-08_pr)
!!! & + T *((1.53350790e-11_pr))))) )
!!! H(sIXC4H8) = 148.189077427634 * ( T * ((2.64714050e+00_pr)
!!! & + T *((0.0129514785_pr)
!!! & + T *((2.73284513333333e-06_pr)
!!! & + T *((-5.54831475e-09_pr)
!!! & + T *((1.7791716e-12_pr)))))) + (-4.03730690e+03_pr))
!!! Cp(sIXC4H8) = 148.189077427634 * ((2.64714050e+00_pr)
!!! & + T *((2.59029570e-02_pr)
!!! & + T *((8.19853540e-06_pr)
!!! & + T *((-2.21932590e-08_pr)
!!! & + T *(8.89585800e-12_pr)))))
!!! dH(sIXC4H8) = 148.189077427634 * ( (2.64714050e+00_pr)
!!! & + T *((2.59029570e-02_pr)
!!! & + T *((8.19853540e-06_pr)
!!! & + T *((-2.21932590e-08_pr)
!!! & + T *((8.89585800e-12_pr))))) )
!!! H(sC5H6) = 125.782928379073 * ( T * ((8.61089570e-01_pr)
!!! & + T *((0.0074020155_pr)
!!! & + T *((2.40362983333333e-05_pr)
!!! & + T *((-2.83451375e-08_pr)
!!! & + T *((9.7379944e-12_pr)))))) + (1.48017550e+04_pr))
!!! Cp(sC5H6) = 125.782928379073 * ((8.61089570e-01_pr)
!!! & + T *((1.48040310e-02_pr)
!!! & + T *((7.21088950e-05_pr)
!!! & + T *((-1.13380550e-07_pr)
!!! & + T *(4.86899720e-11_pr)))))
!!! dH(sC5H6) = 125.782928379073 * ( (8.61089570e-01_pr)
!!! & + T *((1.48040310e-02_pr)
!!! & + T *((7.21088950e-05_pr)
!!! & + T *((-1.13380550e-07_pr)
!!! & + T *((4.86899720e-11_pr))))) )
!!! H(sC6H5) = 107.833981841764 * ( T * ((-3.69314530e+00_pr)
!!! & + T *((0.026089484_pr)
!!! & + T *((-8.51947566666667e-06_pr)
!!! & + T *((-1.766528025e-09_pr)
!!! & + T *((1.5166795e-12_pr)))))) + (3.97795900e+04_pr))
!!! Cp(sC6H5) = 107.833981841764 * ((-3.69314530e+00_pr)
!!! & + T *((5.21789680e-02_pr)
!!! & + T *((-2.55584270e-05_pr)
!!! & + T *((-7.06611210e-09_pr)
!!! & + T *(7.58339750e-12_pr)))))
!!! dH(sC6H5) = 107.833981841764 * ( (-3.69314530e+00_pr)
!!! & + T *((5.21789680e-02_pr)
!!! & + T *((-2.55584270e-05_pr)
!!! & + T *((-7.06611210e-09_pr)
!!! & + T *((7.58339750e-12_pr))))) )
!!! H(sC6H5O) = 89.3018259935553 * ( T * ((-4.66204455e-01_pr)
!!! & + T *((0.02067219875_pr)
!!! & + T *((4.41376636666667e-06_pr)
!!! & + T *((-1.4321819225e-08_pr)
!!! & + T *((5.79527414e-12_pr)))))) + (4.77858391e+03_pr))
!!! Cp(sC6H5O) = 89.3018259935553 * ((-4.66204455e-01_pr)
!!! & + T *((4.13443975e-02_pr)
!!! & + T *((1.32412991e-05_pr)
!!! & + T *((-5.72872769e-08_pr)
!!! & + T *(2.89763707e-11_pr)))))
!!! dH(sC6H5O) = 89.3018259935553 * ( (-4.66204455e-01_pr)
!!! & + T *((4.13443975e-02_pr)
!!! & + T *((1.32412991e-05_pr)
!!! & + T *((-5.72872769e-08_pr)
!!! & + T *((2.89763707e-11_pr))))) )
!!! H(sC6H4O2) = 76.9159604781112 * ( T * ((-9.51930050e-01_pr)
!!! & + T *((0.0289212225_pr)
!!! & + T *((-1.27381463333333e-05_pr)
!!! & + T *((1.1578164e-09_pr)
!!! & + T *((7.2593302e-13_pr)))))) + (-1.76110470e+04_pr))
!!! Cp(sC6H4O2) = 76.9159604781112 * ((-9.51930050e-01_pr)
!!! & + T *((5.78424450e-02_pr)
!!! & + T *((-3.82144390e-05_pr)
!!! & + T *((4.63126560e-09_pr)
!!! & + T *(3.62966510e-12_pr)))))
!!! dH(sC6H4O2) = 76.9159604781112 * ( (-9.51930050e-01_pr)
!!! & + T *((5.78424450e-02_pr)
!!! & + T *((-3.82144390e-05_pr)
!!! & + T *((4.63126560e-09_pr)
!!! & + T *((3.62966510e-12_pr))))) )
!!! H(sC6H6) = 106.44236185794 * ( T * ((-4.84377340e+00_pr)
!!! & + T *((0.0292138065_pr)
!!! & + T *((-9.82861833333333e-06_pr)
!!! & + T *((-1.734761e-09_pr)
!!! & + T *((1.64250506e-12_pr)))))) + (9.18177730e+03_pr))
!!! Cp(sC6H6) = 106.44236185794 * ((-4.84377340e+00_pr)
!!! & + T *((5.84276130e-02_pr)
!!! & + T *((-2.94858550e-05_pr)
!!! & + T *((-6.93904400e-09_pr)
!!! & + T *(8.21252530e-12_pr)))))
!!! dH(sC6H6) = 106.44236185794 * ( (-4.84377340e+00_pr)
!!! & + T *((5.84276130e-02_pr)
!!! & + T *((-2.94858550e-05_pr)
!!! & + T *((-6.93904400e-09_pr)
!!! & + T *((8.21252530e-12_pr))))) )
!!! H(sC6H5CH3) = 90.2381314172835 * ( T * ((1.61526630e+00_pr)
!!! & + T *((0.010549719_pr)
!!! & + T *((2.84553393333333e-05_pr)
!!! & + T *((-3.3152665e-08_pr)
!!! & + T *((1.11913208e-11_pr)))))) + (4.07563000e+03_pr))
!!! Cp(sC6H5CH3) = 90.2381314172835 * ((1.61526630e+00_pr)
!!! & + T *((2.10994380e-02_pr)
!!! & + T *((8.53660180e-05_pr)
!!! & + T *((-1.32610660e-07_pr)
!!! & + T *(5.59566040e-11_pr)))))
!!! dH(sC6H5CH3) = 90.2381314172835 * ( (1.61526630e+00_pr)
!!! & + T *((2.10994380e-02_pr)
!!! & + T *((8.53660180e-05_pr)
!!! & + T *((-1.32610660e-07_pr)
!!! & + T *((5.59566040e-11_pr))))) )
!!! H(sC6H5CH2) = 91.2363101639488 * ( T * ((4.81115400e-01_pr)
!!! & + T *((0.019256416_pr)
!!! & + T *((1.09538306666667e-05_pr)
!!! & + T *((-1.924318025e-08_pr)
!!! & + T *((7.0846136e-12_pr)))))) + (2.33070270e+04_pr))
!!! Cp(sC6H5CH2) = 91.2363101639488 * ((4.81115400e-01_pr)
!!! & + T *((3.85128320e-02_pr)
!!! & + T *((3.28614920e-05_pr)
!!! & + T *((-7.69727210e-08_pr)
!!! & + T *(3.54230680e-11_pr)))))
!!! dH(sC6H5CH2) = 91.2363101639488 * ( (4.81115400e-01_pr)
!!! & + T *((3.85128320e-02_pr)
!!! & + T *((3.28614920e-05_pr)
!!! & + T *((-7.69727210e-08_pr)
!!! & + T *((3.54230680e-11_pr))))) )
!!! H(sC6H5CHO) = 78.3467460751239 * ( T * ((-3.16273340e+00_pr)
!!! & + T *((0.0331846225_pr)
!!! & + T *((-1.1605451e-05_pr)
!!! & + T *((-1.574984425e-09_pr)
!!! & + T *((1.71614202e-12_pr)))))) + (-6.11693490e+03_pr))
!!! Cp(sC6H5CHO) = 78.3467460751239 * ((-3.16273340e+00_pr)
!!! & + T *((6.63692450e-02_pr)
!!! & + T *((-3.48163530e-05_pr)
!!! & + T *((-6.29993770e-09_pr)
!!! & + T *(8.58071010e-12_pr)))))
!!! dH(sC6H5CHO) = 78.3467460751239 * ( (-3.16273340e+00_pr)
!!! & + T *((6.63692450e-02_pr)
!!! & + T *((-3.48163530e-05_pr)
!!! & + T *((-6.29993770e-09_pr)
!!! & + T *((8.58071010e-12_pr))))) )
!!! H(sPOSF10325XC11H22) = 53.8869372464125 * ( T *
!!! & ((3.16857770e+00_pr)
!!! & + T *((0.035601724_pr)
!!! & + T *((2.89986516666667e-05_pr)
!!! & + T *((-4.2153015e-08_pr)
!!! & + T *((1.5197274e-11_pr)))))) + (-4.04463440e+04_pr))
!!! Cp(sPOSF10325XC11H22) = 53.8869372464125 *
!!! & ((3.16857770e+00_pr)
!!! & + T *((7.12034480e-02_pr)
!!! & + T *((8.69959550e-05_pr)
!!! & + T *((-1.68612060e-07_pr)
!!! & + T *(7.59863700e-11_pr)))))
!!! dH(sPOSF10325XC11H22) = 53.8869372464125 *
!!! & ( (3.16857770e+00_pr)
!!! & + T *((7.12034480e-02_pr)
!!! & + T *((8.69959550e-05_pr)
!!! & + T *((-1.68612060e-07_pr)
!!! & + T *((7.59863700e-11_pr))))) )
!!! end if
!!! return
!!! end subroutine compute_thermodata
! --- Thirdbodies --- !
subroutine get_thirdbodies(M,c)
implicit none
real(pr), dimension(nspec) :: c
real(pr), dimension(23) :: M
M(mM63) = (5_pr)*c(sH2O) &
+ (1_pr)*c(sCH4) &
+ (2_pr)*c(sC2H6) &
+ (1_pr)*c(sCO2) &
+ (1_pr)*c(sH2) &
+ (0.5_pr)*c(sCO) &
+ sum(c)
M(mM37) = (5_pr)*c(sH2O) &
+ (1_pr)*c(sCH4) &
+ (2_pr)*c(sC2H6) &
+ (1_pr)*c(sCO2) &
+ (1_pr)*c(sH2) &
+ (0.5_pr)*c(sCO) &
+ sum(c)
M(mM5) = (10.89_pr)*c(sH2O) &
+ (1.18_pr)*c(sCO2) &
+ (0.0900000000000001_pr)*c(sCO) &
+ (-0.15_pr)*c(sO2) &
+ sum(c)
M(mM24) = (5_pr)*c(sH2O) &
+ (2_pr)*c(sC2H4) &
+ (1_pr)*c(sCH4) &
+ (2_pr)*c(sC2H6) &
+ (1_pr)*c(sCO2) &
+ (2_pr)*c(sC2H2) &
+ (1_pr)*c(sH2) &
+ (0.5_pr)*c(sCO) &
+ sum(c)
M(mM17) = (5_pr)*c(sH2O) &
+ (1_pr)*c(sCH4) &
+ (2_pr)*c(sC2H6) &
+ (1_pr)*c(sCO2) &
+ (1_pr)*c(sH2) &
+ (0.5_pr)*c(sCO) &
+ sum(c)
M(mM29) = (5_pr)*c(sH2O) &
+ (2_pr)*c(sC2H4) &
+ (1_pr)*c(sCH4) &
+ (2_pr)*c(sC2H6) &
+ (1_pr)*c(sCO2) &
+ (2_pr)*c(sC2H2) &
+ (1_pr)*c(sH2) &
+ (0.5_pr)*c(sCO) &
+ sum(c)
M(mM36) = (5_pr)*c(sH2O) &
+ (1_pr)*c(sCH4) &
+ (2_pr)*c(sC2H6) &
+ (1_pr)*c(sCO2) &
+ (1_pr)*c(sH2) &
+ (0.5_pr)*c(sCO) &
+ sum(c)
M(mM41) = (5_pr)*c(sH2O) &
+ (1_pr)*c(sCH4) &
+ (2_pr)*c(sC2H6) &
+ (1_pr)*c(sCO2) &
+ (1_pr)*c(sH2) &
+ (0.5_pr)*c(sCO) &
+ sum(c)
M(mM8) = (2.6_pr)*c(sCO2) &
+ (1_pr)*c(sH2) &
+ (0.75_pr)*c(sCO) &
+ (-1_pr)*c(sH2O) &
+ sum(c)
M(mM1) = (-1_pr)*c(sH2O) &
+ (-1_pr)*c(sCO2) &
+ (-1_pr)*c(sH2) &
+ sum(c)
M(mM19) = (5_pr)*c(sH2O) &
+ (1_pr)*c(sCH4) &
+ (2_pr)*c(sC2H6) &
+ (1_pr)*c(sCO2) &
+ (1_pr)*c(sH2) &
+ (0.5_pr)*c(sCO) &
+ sum(c)
M(mM65) = (5_pr)*c(sH2O) &
+ (1_pr)*c(sCH4) &
+ (1_pr)*c(sCO2) &
+ (1_pr)*c(sH2) &
+ (0.5_pr)*c(sCO) &
+ sum(c)
M(mM6) = (5_pr)*c(sH2O) &
+ (2.6_pr)*c(sCO2) &
+ (1_pr)*c(sH2) &
+ (0.75_pr)*c(sCO) &
+ sum(c)
M(mM3) = (11_pr)*c(sH2O) &
+ (2.6_pr)*c(sCO2) &
+ (1_pr)*c(sH2) &
+ (0.75_pr)*c(sCO) &
+ sum(c)
M(mM16) = (5_pr)*c(sH2O) &
+ (1_pr)*c(sCH4) &
+ (2_pr)*c(sC2H6) &
+ (1_pr)*c(sCO2) &
+ (1_pr)*c(sH2) &
+ (0.5_pr)*c(sCO) &
+ sum(c)
M(mM11) = (5_pr)*c(sH2O) &
+ (1_pr)*c(sCH4) &
+ (2_pr)*c(sC2H6) &
+ (1_pr)*c(sCO2) &
+ (1_pr)*c(sH2) &
+ (0.5_pr)*c(sCO) &
+ sum(c)
M(mM7) = (11_pr)*c(sH2O) &
+ (2.6_pr)*c(sCO2) &
+ (1_pr)*c(sH2) &
+ (0.75_pr)*c(sCO) &
+ sum(c)
M(mM2) = (5.3_pr)*c(sH2O) &
+ (2.6_pr)*c(sCO2) &
+ (1_pr)*c(sH2) &
+ (0.75_pr)*c(sCO) &
+ sum(c)
M(mM30) = (5_pr)*c(sH2O) &
+ (2_pr)*c(sC2H4) &
+ (1_pr)*c(sCH4) &
+ (2_pr)*c(sC2H6) &
+ (1_pr)*c(sCO2) &
+ (1_pr)*c(sH2) &
+ (0.5_pr)*c(sCO) &
+ sum(c)
M(mM13) = (5_pr)*c(sH2O) &
+ (1_pr)*c(sCH4) &
+ (2_pr)*c(sC2H6) &
+ (1_pr)*c(sCO2) &
+ (1_pr)*c(sH2) &
+ (0.5_pr)*c(sCO) &
+ sum(c)
M(mM28) = (5_pr)*c(sH2O) &
+ (2_pr)*c(sC2H4) &
+ (1_pr)*c(sCH4) &
+ (2_pr)*c(sC2H6) &
+ (1_pr)*c(sCO2) &
+ (2_pr)*c(sC2H2) &
+ (1_pr)*c(sH2) &
+ (0.5_pr)*c(sCO) &
+ sum(c)
M(mM9) = (5_pr)*c(sH2O) &
+ (1_pr)*c(sCH4) &
+ (2_pr)*c(sC2H6) &
+ (1_pr)*c(sCO2) &
+ (1_pr)*c(sH2) &
+ (0.5_pr)*c(sCO) &
+ sum(c)
end subroutine get_thirdbodies
! --- Rate coefficients --- !
subroutine get_rate_coefficients(k,M,Tloc,Ploc)
implicit none
real(pr), dimension(nreac) :: k
real(pr), dimension(23) :: M
real(pr) :: Tloc,Ploc
real(pr) :: k7f_0, k7f_inf, FC7f
real(pr) :: k8f_0, k8f_inf, FC8f
real(pr) :: k43f_0, k43f_inf, FC43f
real(pr) :: k47f_0, k47f_inf, FC47f
real(pr) :: k60f_0, k60f_inf, FC60f
real(pr) :: k61_0, k61_inf, FC61
real(pr) :: k72_0, k72_inf, FC72
real(pr) :: k74_0, k74_inf, FC74
real(pr) :: k79_0, k79_inf, FC79
real(pr) :: k90f_0, k90f_inf, FC90f
real(pr) :: k95f_0, k95f_inf, FC95f
real(pr) :: k102f_0, k102f_inf, FC102f
real(pr) :: k111f_0, k111f_inf, FC111f
real(pr) :: k113_0, k113_inf, FC113
real(pr) :: k132f_0, k132f_inf, FC132f
real(pr) :: k149f_0, k149f_inf, FC149f
real(pr) :: k174_0, k174_inf, FC174
real(pr) :: k182f_0, k182f_inf, FC182f
real(pr) :: k7b_0, k7b_inf, FC7b
real(pr) :: k8b_0, k8b_inf, FC8b
real(pr) :: k43b_0, k43b_inf, FC43b
real(pr) :: k47b_0, k47b_inf, FC47b
real(pr) :: k60b_0, k60b_inf, FC60b
real(pr) :: k90b_0, k90b_inf, FC90b
real(pr) :: k95b_0, k95b_inf, FC95b
real(pr) :: k102b_0, k102b_inf, FC102b
real(pr) :: k111b_0, k111b_inf, FC111b
real(pr) :: k132b_0, k132b_inf, FC132b
real(pr) :: k149b_0, k149b_inf, FC149b
real(pr) :: k182b_0, k182b_inf, FC182b
! Rate coefficients
k(r1) = (1.78000000e+06_pr)*Tloc**(-1.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r2f) = (4.58900000e-02_pr)*Tloc**(2.700_pr)* &
exp(-(2.619e+04_pr)/(8.314_pr*Tloc))
k(r3) = (9.42800000e+06_pr)*Tloc**(-1.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r4f) = (1.73400000e+02_pr)*Tloc**(1.510_pr)* &
exp(-(1.435e+04_pr)/(8.314_pr*Tloc))
k(r5f) = (3.97300000e-02_pr)*Tloc**(2.400_pr)* &
exp(-(-8.828e+03_pr)/(8.314_pr*Tloc))
k(r6f) = (4.40000000e+10_pr)*Tloc**(-2.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k7f_0 = (2.01000000e+05_pr)*Tloc**(-0.584_pr)* &
exp(-(-9.594e+03_pr)/(8.314_pr*Tloc))
k7f_inf = (1.11000000e+08_pr)*Tloc**(-0.370_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
FC7f = (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(r7f) =getlindratecoeff &
(Tloc, k7f_0, k7f_inf, FC7f, M(mM6), Ploc )
k8f_0 = (6.32800000e+07_pr)*Tloc**(-1.400_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k8f_inf = (5.11600000e+06_pr)*Tloc**(0.440_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
FC8f = (5.000e-01_pr)* &
exp(-Tloc/(1.000e-30_pr)) + (5.000e-01_pr)* &
exp(-Tloc/(1.000e+30_pr)) + (0.000e+00_pr)* &
exp(-(0.000e+00_pr)/Tloc)
k(r8f) =getlindratecoeff &
(Tloc, k8f_0, k8f_inf, FC8f, M(mM5), Ploc )
k(r9f) = (5.91600000e-01_pr)*Tloc**(2.433_pr)* &
exp(-(2.239e+05_pr)/(8.314_pr*Tloc))
k(r10f) = (2.64400000e+10_pr)*Tloc**(-0.671_pr)* &
exp(-(7.130e+04_pr)/(8.314_pr*Tloc))
k(r11) = (1.12000000e+79_pr)*Tloc**(-22.300_pr)* &
exp(-(1.126e+05_pr)/(8.314_pr*Tloc))
k(r12) = (4.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r13) = (5.37000000e+64_pr)*Tloc**(-16.720_pr)* &
exp(-(1.377e+05_pr)/(8.314_pr*Tloc))
k(r14f) = (2.51000000e+06_pr)*Tloc**(2.000_pr)* &
exp(-(1.674e+05_pr)/(8.314_pr*Tloc))
k(r15) = (3.65800000e+08_pr)*Tloc**(0.000_pr)* &
exp(-(5.021e+04_pr)/(8.314_pr*Tloc))
k(r16) = (7.48500000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(1.234e+03_pr)/(8.314_pr*Tloc))
k(r17) = (3.97000000e+06_pr)*Tloc**(0.000_pr)* &
exp(-(2.807e+03_pr)/(8.314_pr*Tloc))
k(r18) = (1.41000000e+12_pr)*Tloc**(-1.760_pr)* &
exp(-(2.510e+02_pr)/(8.314_pr*Tloc))
k(r19) = (1.00000000e+130_pr)*Tloc**(-40.000_pr)* &
exp(-(1.456e+05_pr)/(8.314_pr*Tloc))
k(r20) = (1.30000000e+05_pr)*Tloc**(0.000_pr)* &
exp(-(-6.820e+03_pr)/(8.314_pr*Tloc))
k(r21) = (9.63000000e+00_pr)*Tloc**(2.000_pr)* &
exp(-(1.661e+04_pr)/(8.314_pr*Tloc))
k(r22) = (2.00000000e+06_pr)*Tloc**(0.000_pr)* &
exp(-(1.787e+03_pr)/(8.314_pr*Tloc))
k(r23f) = (6.05000000e+00_pr)*Tloc**(2.000_pr)* &
exp(-(2.176e+04_pr)/(8.314_pr*Tloc))
k(r24) = (2.41000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(1.661e+04_pr)/(8.314_pr*Tloc))
k(r25f) = (2.67000000e+35_pr)*Tloc**(-7.000_pr)* &
exp(-(1.573e+05_pr)/(8.314_pr*Tloc))
k(r26) = (2.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r27) = (2.64000000e+06_pr)*Tloc**(0.000_pr)* &
exp(-(6.276e+03_pr)/(8.314_pr*Tloc))
k(r28) = (1.06000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(6.276e+03_pr)/(8.314_pr*Tloc))
k(r29) = (2.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r30) = (8.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r31f) = (3.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r32) = (1.50000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r33) = (1.20000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r34) = (3.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r35f) = (7.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r36) = (2.80000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r37) = (1.34000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r38) = (6.24200000e-01_pr)*Tloc**(1.992_pr)* &
exp(-(5.654e+04_pr)/(8.314_pr*Tloc))
k(r39) = (4.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r40f) = (8.43000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r41f) = (5.60000000e+01_pr)*Tloc**(1.600_pr)* &
exp(-(2.268e+04_pr)/(8.314_pr*Tloc))
k(r42) = (1.00000000e+06_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k43f_0 = (1.77000000e+38_pr)*Tloc**(-9.670_pr)* &
exp(-(2.602e+04_pr)/(8.314_pr*Tloc))
k43f_inf = (2.12000000e+10_pr)*Tloc**(-0.970_pr)* &
exp(-(2.594e+03_pr)/(8.314_pr*Tloc))
FC43f = (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(r43f) =getlindratecoeff &
(Tloc, k43f_0, k43f_inf, FC43f, M(mM19), Ploc )
k(r44f) = (4.99000000e+06_pr)*Tloc**(0.100_pr)* &
exp(-(4.435e+04_pr)/(8.314_pr*Tloc))
k(r45) = (2.21000000e+02_pr)*Tloc**(1.481_pr)* &
exp(-(6.125e+04_pr)/(8.314_pr*Tloc))
k(r46) = (3.60000000e+04_pr)*Tloc**(0.000_pr)* &
exp(-(3.740e+04_pr)/(8.314_pr*Tloc))
k47f_0 = (2.47700000e+21_pr)*Tloc**(-4.760_pr)* &
exp(-(1.021e+04_pr)/(8.314_pr*Tloc))
k47f_inf = (1.27000000e+10_pr)*Tloc**(-0.630_pr)* &
exp(-(1.602e+03_pr)/(8.314_pr*Tloc))
FC47f = (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(r47f) =getlindratecoeff &
(Tloc, k47f_0, k47f_inf, FC47f, M(mM17), Ploc )
k(r48f) = (3.08300000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(1.205e+05_pr)/(8.314_pr*Tloc))
k(r49) = (1.20000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(-2.385e+03_pr)/(8.314_pr*Tloc))
k(r50f) = (2.45000000e-02_pr)*Tloc**(2.470_pr)* &
exp(-(2.167e+04_pr)/(8.314_pr*Tloc))
k(r51f) = (2.50100000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r52f) = (6.60000000e+02_pr)*Tloc**(1.620_pr)* &
exp(-(4.536e+04_pr)/(8.314_pr*Tloc))
k(r53f) = (1.02000000e+03_pr)*Tloc**(1.500_pr)* &
exp(-(3.598e+04_pr)/(8.314_pr*Tloc))
k(r54f) = (1.60000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(-2.385e+03_pr)/(8.314_pr*Tloc))
k(r55f) = (1.00000000e+02_pr)*Tloc**(1.600_pr)* &
exp(-(1.305e+04_pr)/(8.314_pr*Tloc))
k(r56) = (1.57000000e-01_pr)*Tloc**(2.180_pr)* &
exp(-(7.507e+04_pr)/(8.314_pr*Tloc))
k(r57f) = (9.00000000e+06_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r58f) = (5.75700000e+06_pr)*Tloc**(-0.664_pr)* &
exp(-(1.388e+03_pr)/(8.314_pr*Tloc))
k(r59f) = (7.04600000e-02_pr)*Tloc**(2.053_pr)* &
exp(-(-1.488e+03_pr)/(8.314_pr*Tloc))
k60f_0 = (2.69000000e+21_pr)*Tloc**(-5.110_pr)* &
exp(-(2.968e+04_pr)/(8.314_pr*Tloc))
k60f_inf = (8.10000000e+05_pr)*Tloc**(0.500_pr)* &
exp(-(1.887e+04_pr)/(8.314_pr*Tloc))
FC60f = (4.093e-01_pr)* &
exp(-Tloc/(2.750e+02_pr)) + (5.907e-01_pr)* &
exp(-Tloc/(1.226e+03_pr)) + (1.000e+00_pr)* &
exp(-(5.185e+03_pr)/Tloc)
k(r60f) =getlindratecoeff &
(Tloc, k60f_0, k60f_inf, FC60f, M(mM13), Ploc )
k61_0 = (1.17300000e+12_pr)*Tloc**(-2.790_pr)* &
exp(-(1.754e+04_pr)/(8.314_pr*Tloc))
k61_inf = (1.36200000e+04_pr)*Tloc**(0.000_pr)* &
exp(-(9.975e+03_pr)/(8.314_pr*Tloc))
FC61 = + (1.000e+00_pr)* &
exp(-(0.000e+00_pr)/Tloc)
k(r61) =getlindratecoeff &
(Tloc, k61_0, k61_inf, FC61, M(mM7), Ploc )
k(r62f) = (1.87000000e+11_pr)*Tloc**(-1.000_pr)* &
exp(-(7.113e+04_pr)/(8.314_pr*Tloc))
k(r63) = (3.02000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r64) = (1.20000000e+08_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r65) = (3.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r66) = (1.20400000e+04_pr)*Tloc**(0.807_pr)* &
exp(-(-3.042e+03_pr)/(8.314_pr*Tloc))
k(r67) = (3.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r68f) = (2.24400000e+12_pr)*Tloc**(-1.000_pr)* &
exp(-(7.113e+04_pr)/(8.314_pr*Tloc))
k(r69) = (8.48000000e+06_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r70) = (1.00000000e+06_pr)*Tloc**(0.000_pr)* &
exp(-(3.347e+04_pr)/(8.314_pr*Tloc))
k(r71) = (2.30000000e+04_pr)*Tloc**(1.050_pr)* &
exp(-(1.370e+04_pr)/(8.314_pr*Tloc))
k72_0 = (1.61200000e+25_pr)*Tloc**(-4.102_pr)* &
exp(-(3.552e+05_pr)/(8.314_pr*Tloc))
k72_inf = (1.36800000e+11_pr)*Tloc**(0.818_pr)* &
exp(-(3.353e+05_pr)/(8.314_pr*Tloc))
FC72 = (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(r72) =getlindratecoeff &
(Tloc, k72_0, k72_inf, FC72, M(mM9), Ploc )
k(r73) = (3.90000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(1.481e+04_pr)/(8.314_pr*Tloc))
k74_0 = (1.89500000e+20_pr)*Tloc**(-2.669_pr)* &
exp(-(3.756e+05_pr)/(8.314_pr*Tloc))
k74_inf = (1.53000000e+14_pr)*Tloc**(0.381_pr)* &
exp(-(3.685e+05_pr)/(8.314_pr*Tloc))
FC74 = (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(r74) =getlindratecoeff &
(Tloc, k74_0, k74_inf, FC74, M(mM11), Ploc )
k(r75f) = (3.43000000e+03_pr)*Tloc**(1.180_pr)* &
exp(-(-1.870e+03_pr)/(8.314_pr*Tloc))
k(r76) = (1.00000000e+08_pr)*Tloc**(0.000_pr)* &
exp(-(1.674e+05_pr)/(8.314_pr*Tloc))
k(r77) = (3.32000000e-03_pr)*Tloc**(2.810_pr)* &
exp(-(2.452e+04_pr)/(8.314_pr*Tloc))
k(r78) = (2.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k79_0 = (3.53200000e+27_pr)*Tloc**(-5.675_pr)* &
exp(-(1.137e+05_pr)/(8.314_pr*Tloc))
k79_inf = (8.66900000e+14_pr)*Tloc**(-0.421_pr)* &
exp(-(1.014e+05_pr)/(8.314_pr*Tloc))
FC79 = (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(r79) =getlindratecoeff &
(Tloc, k79_0, k79_inf, FC79, M(mM16), Ploc )
k(r80f) = (3.20000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r81) = (1.60000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r82) = (4.28000000e-19_pr)*Tloc**(7.600_pr)* &
exp(-(-1.477e+04_pr)/(8.314_pr*Tloc))
k(r83) = (1.40000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r84f) = (7.00000000e+06_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r85f) = (1.63200000e+01_pr)*Tloc**(2.000_pr)* &
exp(-(7.950e+03_pr)/(8.314_pr*Tloc))
k(r86) = (2.18000000e-10_pr)*Tloc**(4.500_pr)* &
exp(-(-4.184e+03_pr)/(8.314_pr*Tloc))
k(r87f) = (1.00000000e+01_pr)*Tloc**(2.000_pr)* &
exp(-(2.510e+04_pr)/(8.314_pr*Tloc))
k(r88) = (4.08000000e+00_pr)*Tloc**(2.000_pr)* &
exp(-(7.950e+03_pr)/(8.314_pr*Tloc))
k(r89) = (3.92000000e+05_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k90f_0 = (1.40000000e+18_pr)*Tloc**(-3.860_pr)* &
exp(-(1.389e+04_pr)/(8.314_pr*Tloc))
k90f_inf = (6.08000000e+06_pr)*Tloc**(0.270_pr)* &
exp(-(1.172e+03_pr)/(8.314_pr*Tloc))
FC90f = (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(r90f) =getlindratecoeff &
(Tloc, k90f_0, k90f_inf, FC90f, M(mM29), Ploc )
k(r91) = (1.34000000e+00_pr)*Tloc**(1.610_pr)* &
exp(-(-1.604e+03_pr)/(8.314_pr*Tloc))
k(r92) = (4.80000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r93) = (9.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r94) = (4.60000000e+10_pr)*Tloc**(-1.390_pr)* &
exp(-(4.226e+03_pr)/(8.314_pr*Tloc))
k95f_0 = (2.56500000e+21_pr)*Tloc**(-3.400_pr)* &
exp(-(1.498e+05_pr)/(8.314_pr*Tloc))
k95f_inf = (3.86000000e+08_pr)*Tloc**(1.620_pr)* &
exp(-(1.550e+05_pr)/(8.314_pr*Tloc))
FC95f = (-9.820e-01_pr)* &
exp(-Tloc/(5.384e+03_pr)) + (1.982e+00_pr)* &
exp(-Tloc/(4.293e+00_pr)) + (1.000e+00_pr)* &
exp(-(-7.950e-02_pr)/Tloc)
k(r95f) =getlindratecoeff &
(Tloc, k95f_0, k95f_inf, FC95f, M(mM24), Ploc )
k(r96) = (1.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r97) = (4.80000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r99) = (3.01100000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r100f) = (1.50000000e+18_pr)*Tloc**(-2.830_pr)* &
exp(-(7.790e+04_pr)/(8.314_pr*Tloc))
k(r101) = (3.00000000e+05_pr)*Tloc**(0.290_pr)* &
exp(-(4.600e+01_pr)/(8.314_pr*Tloc))
k102f_0 = (4.27000000e+46_pr)*Tloc**(-11.940_pr)* &
exp(-(4.088e+04_pr)/(8.314_pr*Tloc))
k102f_inf = (2.50000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
FC102f = (8.250e-01_pr)* &
exp(-Tloc/(1.341e+03_pr)) + (1.750e-01_pr)* &
exp(-Tloc/(6.000e+04_pr)) + (1.000e+00_pr)* &
exp(-(1.014e+04_pr)/Tloc)
k(r102f) =getlindratecoeff &
(Tloc, k102f_0, k102f_inf, FC102f, M(mM30), Ploc )
k(r103f) = (1.51000000e+01_pr)*Tloc**(1.900_pr)* &
exp(-(1.565e+04_pr)/(8.314_pr*Tloc))
k(r104f) = (5.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r105) = (1.92000000e+01_pr)*Tloc**(1.830_pr)* &
exp(-(9.200e+02_pr)/(8.314_pr*Tloc))
k(r106f) = (2.27000000e-01_pr)*Tloc**(2.000_pr)* &
exp(-(3.849e+04_pr)/(8.314_pr*Tloc))
k(r107f) = (5.07000000e+01_pr)*Tloc**(1.900_pr)* &
exp(-(5.418e+04_pr)/(8.314_pr*Tloc))
k(r108f) = (3.60000000e+00_pr)*Tloc**(2.000_pr)* &
exp(-(1.046e+04_pr)/(8.314_pr*Tloc))
k(r109) = (1.00000000e+01_pr)*Tloc**(2.000_pr)* &
exp(-(3.347e+04_pr)/(8.314_pr*Tloc))
k(r110) = (3.84000000e-01_pr)*Tloc**(1.830_pr)* &
exp(-(9.200e+02_pr)/(8.314_pr*Tloc))
k111f_0 = (2.02700000e+27_pr)*Tloc**(-6.642_pr)* &
exp(-(2.414e+04_pr)/(8.314_pr*Tloc))
k111f_inf = (1.36700000e+03_pr)*Tloc**(1.463_pr)* &
exp(-(5.669e+03_pr)/(8.314_pr*Tloc))
FC111f = (1.569e+00_pr)* &
exp(-Tloc/(2.990e+02_pr)) + (-5.690e-01_pr)* &
exp(-Tloc/(9.147e+03_pr)) + (1.000e+00_pr)* &
exp(-(-1.524e+02_pr)/Tloc)
k(r111f) =getlindratecoeff &
(Tloc, k111f_0, k111f_inf, FC111f, M(mM36), Ploc )
k(r112f) = (2.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(2.510e+04_pr)/(8.314_pr*Tloc))
k113_0 = (1.99000000e+29_pr)*Tloc**(-7.080_pr)* &
exp(-(2.797e+04_pr)/(8.314_pr*Tloc))
k113_inf = (5.21000000e+11_pr)*Tloc**(-0.990_pr)* &
exp(-(6.611e+03_pr)/(8.314_pr*Tloc))
FC113 = (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(r113) =getlindratecoeff &
(Tloc, k113_0, k113_inf, FC113, M(mM37), Ploc )
k(r114) = (2.00000000e+06_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r115f) = (2.00000000e+04_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r116) = (2.40000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r117) = (3.00000000e+05_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r118) = (1.60400000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r119) = (3.00000000e+05_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r120) = (6.14000000e+00_pr)*Tloc**(1.740_pr)* &
exp(-(4.372e+04_pr)/(8.314_pr*Tloc))
k(r121) = (8.98000000e+01_pr)*Tloc**(1.920_pr)* &
exp(-(2.381e+04_pr)/(8.314_pr*Tloc))
k(r122) = (3.54000000e+00_pr)*Tloc**(2.120_pr)* &
exp(-(3.640e+03_pr)/(8.314_pr*Tloc))
k(r123f) = (1.15000000e+02_pr)*Tloc**(1.900_pr)* &
exp(-(3.151e+04_pr)/(8.314_pr*Tloc))
k(r124) = (4.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(-2.301e+03_pr)/(8.314_pr*Tloc))
k(r125) = (5.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r126f) = (1.00000000e+08_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r127) = (1.60000000e+06_pr)*Tloc**(0.000_pr)* &
exp(-(3.573e+03_pr)/(8.314_pr*Tloc))
k(r129) = (1.00000000e+08_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r131f) = (1.50000000e+03_pr)*Tloc**(1.430_pr)* &
exp(-(1.126e+04_pr)/(8.314_pr*Tloc))
k132f_0 = (3.80000000e+29_pr)*Tloc**(-7.640_pr)* &
exp(-(4.979e+04_pr)/(8.314_pr*Tloc))
k132f_inf = (3.30000000e+08_pr)*Tloc**(-0.060_pr)* &
exp(-(3.556e+04_pr)/(8.314_pr*Tloc))
FC132f = (6.630e-01_pr)* &
exp(-Tloc/(1.707e+03_pr)) + (3.370e-01_pr)* &
exp(-Tloc/(3.200e+03_pr)) + (1.000e+00_pr)* &
exp(-(4.131e+03_pr)/Tloc)
k(r132f) =getlindratecoeff &
(Tloc, k132f_0, k132f_inf, FC132f, M(mM28), Ploc )
k(r133f) = (5.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(3.347e+04_pr)/(8.314_pr*Tloc))
k(r134) = (1.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(3.347e+04_pr)/(8.314_pr*Tloc))
k(r135f) = (7.50000000e+06_pr)*Tloc**(0.000_pr)* &
exp(-(8.368e+03_pr)/(8.314_pr*Tloc))
k(r136) = (1.75000000e+06_pr)*Tloc**(0.000_pr)* &
exp(-(5.648e+03_pr)/(8.314_pr*Tloc))
k(r137) = (1.80000000e+04_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r138f) = (1.40000000e+05_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r139) = (2.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(1.674e+04_pr)/(8.314_pr*Tloc))
k(r140) = (7.80000000e+41_pr)*Tloc**(-9.147_pr)* &
exp(-(1.962e+05_pr)/(8.314_pr*Tloc))
k(r141) = (2.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(1.674e+04_pr)/(8.314_pr*Tloc))
k(r142) = (1.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(8.368e+03_pr)/(8.314_pr*Tloc))
k(r143) = (9.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r144f) = (1.52000000e+53_pr)*Tloc**(-13.540_pr)* &
exp(-(1.128e+05_pr)/(8.314_pr*Tloc))
k(r145) = (2.00000000e+01_pr)*Tloc**(1.800_pr)* &
exp(-(4.184e+03_pr)/(8.314_pr*Tloc))
k(r146) = (2.64100000e+09_pr)*Tloc**(-0.333_pr)* &
exp(-(6.431e+04_pr)/(8.314_pr*Tloc))
k(r147) = (3.00000000e+06_pr)*Tloc**(-0.320_pr)* &
exp(-(-5.480e+02_pr)/(8.314_pr*Tloc))
k(r148) = (6.60000000e+06_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k149f_0 = (1.33000000e+48_pr)*Tloc**(-12.000_pr)* &
exp(-(2.497e+04_pr)/(8.314_pr*Tloc))
k149f_inf = (2.00000000e+08_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
FC149f = (9.800e-01_pr)* &
exp(-Tloc/(1.097e+03_pr)) + (2.000e-02_pr)* &
exp(-Tloc/(1.097e+03_pr)) + (1.000e+00_pr)* &
exp(-(6.860e+03_pr)/Tloc)
k(r149f) =getlindratecoeff &
(Tloc, k149f_0, k149f_inf, FC149f, M(mM41), Ploc )
k(r150) = (1.80000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r151) = (2.24700000e+61_pr)*Tloc**(-14.536_pr)* &
exp(-(3.603e+05_pr)/(8.314_pr*Tloc))
k(r152) = (9.65000000e+29_pr)*Tloc**(-5.932_pr)* &
exp(-(1.835e+05_pr)/(8.314_pr*Tloc))
k(r154) = (6.00000000e+06_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r155f) = (2.66000000e+06_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r156) = (2.20000000e-06_pr)*Tloc**(3.500_pr)* &
exp(-(2.374e+04_pr)/(8.314_pr*Tloc))
k(r157) = (8.00000000e+01_pr)*Tloc**(1.650_pr)* &
exp(-(1.368e+03_pr)/(8.314_pr*Tloc))
k(r158) = (9.60000000e-03_pr)*Tloc**(2.600_pr)* &
exp(-(5.820e+04_pr)/(8.314_pr*Tloc))
k(r159f) = (8.00000000e+15_pr)*Tloc**(-2.390_pr)* &
exp(-(4.678e+04_pr)/(8.314_pr*Tloc))
k(r160) = (3.10000000e+00_pr)*Tloc**(2.000_pr)* &
exp(-(-1.247e+03_pr)/(8.314_pr*Tloc))
k(r161) = (1.73000000e-01_pr)*Tloc**(2.500_pr)* &
exp(-(1.042e+04_pr)/(8.314_pr*Tloc))
k(r162) = (1.80000000e+05_pr)*Tloc**(0.700_pr)* &
exp(-(2.460e+04_pr)/(8.314_pr*Tloc))
k(r163) = (3.50000000e+01_pr)*Tloc**(1.650_pr)* &
exp(-(-4.067e+03_pr)/(8.314_pr*Tloc))
k(r164f) = (8.00000000e+15_pr)*Tloc**(-2.390_pr)* &
exp(-(4.678e+04_pr)/(8.314_pr*Tloc))
k(r165) = (1.20000000e+02_pr)*Tloc**(1.650_pr)* &
exp(-(1.368e+03_pr)/(8.314_pr*Tloc))
k(r166f) = (7.74000000e+30_pr)*Tloc**(-6.180_pr)* &
exp(-(1.376e+05_pr)/(8.314_pr*Tloc))
k(r167f) = (3.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r168f) = (2.60000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(2.561e+04_pr)/(8.314_pr*Tloc))
k(r169) = (3.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(3.757e+04_pr)/(8.314_pr*Tloc))
k(r170f) = (5.70700000e-02_pr)*Tloc**(2.430_pr)* &
exp(-(2.625e+04_pr)/(8.314_pr*Tloc))
k(r171) = (8.55000000e-02_pr)*Tloc**(2.190_pr)* &
exp(-(1.590e+02_pr)/(8.314_pr*Tloc))
k(r172f) = (3.89000000e-09_pr)*Tloc**(4.570_pr)* &
exp(-(2.199e+04_pr)/(8.314_pr*Tloc))
k(r173) = (3.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k174_0 = (6.60000000e+63_pr)*Tloc**(-16.300_pr)* &
exp(-(2.929e+04_pr)/(8.314_pr*Tloc))
k174_inf = (1.00000000e+08_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
FC174 = (0.000e+00_pr)* &
exp(-Tloc/(1.000e-01_pr)) + (1.000e+00_pr)* &
exp(-Tloc/(5.849e+02_pr)) + (1.000e+00_pr)* &
exp(-(6.113e+03_pr)/Tloc)
k(r174) =getlindratecoeff &
(Tloc, k174_0, k174_inf, FC174, M(mM65), Ploc )
k(r175f) = (1.38000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(1.920e+02_pr)/(8.314_pr*Tloc))
k(r176f) = (3.98500000e-01_pr)*Tloc**(2.286_pr)* &
exp(-(4.427e+03_pr)/(8.314_pr*Tloc))
k(r177) = (1.39000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(2.054e+04_pr)/(8.314_pr*Tloc))
k(r178) = (5.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r179) = (3.00000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(2.092e+04_pr)/(8.314_pr*Tloc))
k(r180) = (4.00000000e+08_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r181f) = (1.50000000e+60_pr)*Tloc**(-13.940_pr)* &
exp(-(2.702e+05_pr)/(8.314_pr*Tloc))
k182f_0 = (1.10000000e+91_pr)*Tloc**(-24.630_pr)* &
exp(-(6.104e+04_pr)/(8.314_pr*Tloc))
k182f_inf = (1.00000000e+08_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
FC182f = (5.690e-01_pr)* &
exp(-Tloc/(3.830e+02_pr)) + (4.310e-01_pr)* &
exp(-Tloc/(1.520e+02_pr)) + (1.000e+00_pr)* &
exp(-(4.730e+03_pr)/Tloc)
k(r182f) =getlindratecoeff &
(Tloc, k182f_0, k182f_inf, FC182f, M(mM63), Ploc )
k(r183) = (5.00000000e+06_pr)*Tloc**(0.000_pr)* &
exp(-(0.000e+00_pr)/(8.314_pr*Tloc))
k(r184) = (3.97500000e+05_pr)*Tloc**(0.000_pr)* &
exp(-(5.886e+04_pr)/(8.314_pr*Tloc))
k(r185f) = (1.93000000e+00_pr)*Tloc**(2.170_pr)* &
exp(-(1.742e+04_pr)/(8.314_pr*Tloc))
k(r186f) = (3.00000000e+08_pr)*Tloc**(0.000_pr)* &
exp(-(1.799e+05_pr)/(8.314_pr*Tloc))
k(r187) = (3.16000000e+05_pr)*Tloc**(0.000_pr)* &
exp(-(3.975e+04_pr)/(8.314_pr*Tloc))
k(r188f) = (1.25900000e+08_pr)*Tloc**(0.000_pr)* &
exp(-(3.497e+04_pr)/(8.314_pr*Tloc))
k(r189) = (2.10300000e+06_pr)*Tloc**(0.000_pr)* &
exp(-(1.841e+04_pr)/(8.314_pr*Tloc))
k(r190) = (1.62000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(1.159e+04_pr)/(8.314_pr*Tloc))
k(r191) = (3.67700000e+24_pr)*Tloc**(-2.370_pr)* &
exp(-(4.232e+05_pr)/(8.314_pr*Tloc))
k(r192) = (1.93000000e+00_pr)*Tloc**(2.170_pr)* &
exp(-(1.742e+04_pr)/(8.314_pr*Tloc))
k(r193) = (2.55000000e+08_pr)*Tloc**(0.060_pr)* &
exp(-(1.989e+05_pr)/(8.314_pr*Tloc))
k(r194) = (2.33000000e-02_pr)*Tloc**(2.940_pr)* &
exp(-(6.196e+04_pr)/(8.314_pr*Tloc))
k(r195) = (3.55000000e+04_pr)*Tloc**(1.020_pr)* &
exp(-(8.920e+02_pr)/(8.314_pr*Tloc))
k(r196) = (9.52000000e-13_pr)*Tloc**(5.950_pr)* &
exp(-(1.987e+04_pr)/(8.314_pr*Tloc))
k(r197) = (1.53000000e-07_pr)*Tloc**(4.760_pr)* &
exp(-(5.418e+03_pr)/(8.314_pr*Tloc))
k(r198) = (5.86000000e+25_pr)*Tloc**(-2.660_pr)* &
exp(-(3.691e+05_pr)/(8.314_pr*Tloc))
k(r199f) = (1.50000000e+07_pr)*Tloc**(0.000_pr)* &
exp(-(2.510e+03_pr)/(8.314_pr*Tloc))
k(r2b) = (2.79849288e-02_pr)*Tloc**(2.66_pr)* &
exp(-(2.0112e+04_pr)/(8.314_pr*Tloc))
k(r4b) = (2.16281384e+03_pr)*Tloc**(1.39_pr)* &
exp(-(7.7474e+04_pr)/(8.314_pr*Tloc))
k(r5b) = (8.12610562e-01_pr)*Tloc**(2.32_pr)* &
exp(-(6.0374e+04_pr)/(8.314_pr*Tloc))
k(r6b) = (1.48246732e+17_pr)*Tloc**(-1.79_pr)* &
exp(-(4.9631e+05_pr)/(8.314_pr*Tloc))
k7b_0 = (8.69188628e+16_pr)*Tloc**(-1.63_pr)* &
exp(-(2.0525e+05_pr)/(8.314_pr*Tloc))
k7b_inf = (4.79999690e+19_pr)*Tloc**(-1.42_pr)* &
exp(-(2.1485e+05_pr)/(8.314_pr*Tloc))
FC7b = (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(r7b) =getlindratecoeff &
(Tloc, k7b_0, k7b_inf, FC7b, M(mM6), Ploc )
k8b_0 = (1.12846856e+14_pr)*Tloc**(-1.44_pr)* &
exp(-(2.0481e+05_pr)/(8.314_pr*Tloc))
k8b_inf = (9.12333307e+12_pr)*Tloc**(0.40_pr)* &
exp(-(2.0481e+05_pr)/(8.314_pr*Tloc))
FC8b = (5.000e-01_pr)* &
exp(-Tloc/(1.000e-30_pr)) + (5.000e-01_pr)* &
exp(-Tloc/(1.000e+30_pr)) + (0.000e+00_pr)* &
exp(-(0.000e+00_pr)/Tloc)
k(r8b) =getlindratecoeff &
(Tloc, k8b_0, k8b_inf, FC8b, M(mM5), Ploc )
k(r9b) = (3.90560892e+00_pr)*Tloc**(2.06_pr)* &
exp(-(-4.4718e+03_pr)/(8.314_pr*Tloc))
k(r10b) = (5.40147158e+07_pr)*Tloc**(-0.24_pr)* &
exp(-(5.0971e+02_pr)/(8.314_pr*Tloc))
k(r14b) = (4.74223618e+06_pr)*Tloc**(2.25_pr)* &
exp(-(4.5890e+05_pr)/(8.314_pr*Tloc))
k(r23b) = (2.00264328e-02_pr)*Tloc**(2.61_pr)* &
exp(-(8.8591e+04_pr)/(8.314_pr*Tloc))
k(r25b) = (1.10237544e+34_pr)*Tloc**(-6.51_pr)* &
exp(-(2.8725e+05_pr)/(8.314_pr*Tloc))
k(r31b) = (2.10571310e+07_pr)*Tloc**(-0.06_pr)* &
exp(-(3.7278e+04_pr)/(8.314_pr*Tloc))
k(r35b) = (2.54675958e+10_pr)*Tloc**(-0.60_pr)* &
exp(-(6.8376e+04_pr)/(8.314_pr*Tloc))
k(r40b) = (1.13804332e+10_pr)*Tloc**(-0.28_pr)* &
exp(-(2.8887e+05_pr)/(8.314_pr*Tloc))
k(r41b) = (1.34755379e+00_pr)*Tloc**(2.02_pr)* &
exp(-(5.4707e+04_pr)/(8.314_pr*Tloc))
k43b_0 = (4.90149324e+52_pr)*Tloc**(-11.11_pr)* &
exp(-(4.1107e+05_pr)/(8.314_pr*Tloc))
k43b_inf = (5.87071507e+24_pr)*Tloc**(-2.41_pr)* &
exp(-(3.8765e+05_pr)/(8.314_pr*Tloc))
FC43b = (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(r43b) =getlindratecoeff &
(Tloc, k43b_0, k43b_inf, FC43b, M(mM19), Ploc )
k(r44b) = (8.07196807e+11_pr)*Tloc**(-1.08_pr)* &
exp(-(7.5291e+03_pr)/(8.314_pr*Tloc))
k47b_0 = (1.76495847e+30_pr)*Tloc**(-5.00_pr)* &
exp(-(4.5273e+05_pr)/(8.314_pr*Tloc))
k47b_inf = (9.04924208e+18_pr)*Tloc**(-0.87_pr)* &
exp(-(4.4412e+05_pr)/(8.314_pr*Tloc))
FC47b = (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(r47b) =getlindratecoeff &
(Tloc, k47b_0, k47b_inf, FC47b, M(mM17), Ploc )
k(r48b) = (9.53149340e+10_pr)*Tloc**(-1.03_pr)* &
exp(-(2.0425e+03_pr)/(8.314_pr*Tloc))
k(r50b) = (2.13924431e-01_pr)*Tloc**(2.51_pr)* &
exp(-(9.7838e+04_pr)/(8.314_pr*Tloc))
k(r51b) = (8.57420435e+05_pr)*Tloc**(0.48_pr)* &
exp(-(-5.2518e+03_pr)/(8.314_pr*Tloc))
k(r52b) = (2.50206078e-01_pr)*Tloc**(2.19_pr)* &
exp(-(3.6023e+04_pr)/(8.314_pr*Tloc))
k(r53b) = (2.35808926e-01_pr)*Tloc**(2.03_pr)* &
exp(-(2.0565e+04_pr)/(8.314_pr*Tloc))
k(r54b) = (2.20680425e+06_pr)*Tloc**(-0.03_pr)* &
exp(-(5.6654e+04_pr)/(8.314_pr*Tloc))
k(r55b) = (4.72850625e-01_pr)*Tloc**(2.05_pr)* &
exp(-(6.6837e+04_pr)/(8.314_pr*Tloc))
k(r57b) = (6.31713929e+06_pr)*Tloc**(-0.06_pr)* &
exp(-(3.7278e+04_pr)/(8.314_pr*Tloc))
k(r58b) = (3.14483145e+13_pr)*Tloc**(-1.94_pr)* &
exp(-(1.0907e+05_pr)/(8.314_pr*Tloc))
k(r59b) = (3.84896342e+05_pr)*Tloc**(0.78_pr)* &
exp(-(1.0619e+05_pr)/(8.314_pr*Tloc))
k60b_0 = (1.17748018e+36_pr)*Tloc**(-6.88_pr)* &
exp(-(3.6663e+05_pr)/(8.314_pr*Tloc))
k60b_inf = (3.54557230e+20_pr)*Tloc**(-1.27_pr)* &
exp(-(3.5582e+05_pr)/(8.314_pr*Tloc))
FC60b = (4.093e-01_pr)* &
exp(-Tloc/(2.750e+02_pr)) + (5.907e-01_pr)* &
exp(-Tloc/(1.226e+03_pr)) + (1.000e+00_pr)* &
exp(-(5.185e+03_pr)/Tloc)
k(r60b) =getlindratecoeff &
(Tloc, k60b_0, k60b_inf, FC60b, M(mM13), Ploc )
k(r62b) = (2.90947530e+04_pr)*Tloc**(-0.74_pr)* &
exp(-(5.2323e+03_pr)/(8.314_pr*Tloc))
k(r68b) = (3.49137036e+05_pr)*Tloc**(-0.74_pr)* &
exp(-(5.2323e+03_pr)/(8.314_pr*Tloc))
k(r75b) = (5.88758599e+01_pr)*Tloc**(1.53_pr)* &
exp(-(1.2462e+05_pr)/(8.314_pr*Tloc))
k(r80b) = (2.11452681e+01_pr)*Tloc**(1.46_pr)* &
exp(-(4.7667e+04_pr)/(8.314_pr*Tloc))
k(r84b) = (4.91333056e+06_pr)*Tloc**(-0.06_pr)* &
exp(-(3.7278e+04_pr)/(8.314_pr*Tloc))
k(r85b) = (4.20494281e+01_pr)*Tloc**(1.84_pr)* &
exp(-(8.9628e+04_pr)/(8.314_pr*Tloc))
k(r87b) = (4.46155001e-01_pr)*Tloc**(2.40_pr)* &
exp(-(1.0616e+05_pr)/(8.314_pr*Tloc))
k90b_0 = (1.08653914e+27_pr)*Tloc**(-4.04_pr)* &
exp(-(4.8061e+05_pr)/(8.314_pr*Tloc))
k90b_inf = (4.71868427e+15_pr)*Tloc**(0.09_pr)* &
exp(-(4.6790e+05_pr)/(8.314_pr*Tloc))
FC90b = (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(r90b) =getlindratecoeff &
(Tloc, k90b_0, k90b_inf, FC90b, M(mM29), Ploc )
k95b_0 = (8.94488316e+15_pr)*Tloc**(-3.54_pr)* &
exp(-(2.8393e+03_pr)/(8.314_pr*Tloc))
k95b_inf = (1.34609158e+03_pr)*Tloc**(1.48_pr)* &
exp(-(8.0393e+03_pr)/(8.314_pr*Tloc))
FC95b = (-9.820e-01_pr)* &
exp(-Tloc/(5.384e+03_pr)) + (1.982e+00_pr)* &
exp(-Tloc/(4.293e+00_pr)) + (1.000e+00_pr)* &
exp(-(-7.950e-02_pr)/Tloc)
k(r95b) =getlindratecoeff &
(Tloc, k95b_0, k95b_inf, FC95b, M(mM24), Ploc )
k(r100b) = (5.34069382e+26_pr)*Tloc**(-4.71_pr)* &
exp(-(1.4189e+05_pr)/(8.314_pr*Tloc))
k102b_0 = (6.15129011e+61_pr)*Tloc**(-13.48_pr)* &
exp(-(4.7308e+05_pr)/(8.314_pr*Tloc))
k102b_inf = (3.60145791e+22_pr)*Tloc**(-1.54_pr)* &
exp(-(4.3220e+05_pr)/(8.314_pr*Tloc))
FC102b = (8.250e-01_pr)* &
exp(-Tloc/(1.341e+03_pr)) + (1.750e-01_pr)* &
exp(-Tloc/(6.000e+04_pr)) + (1.000e+00_pr)* &
exp(-(1.014e+04_pr)/Tloc)
k(r102b) =getlindratecoeff &
(Tloc, k102b_0, k102b_inf, FC102b, M(mM30), Ploc )
k(r103b) = (3.20500095e-03_pr)*Tloc**(2.37_pr)* &
exp(-(-2.3970e+04_pr)/(8.314_pr*Tloc))
k(r104b) = (2.25429839e+15_pr)*Tloc**(-1.97_pr)* &
exp(-(9.8825e+04_pr)/(8.314_pr*Tloc))
k(r106b) = (2.08409256e-01_pr)*Tloc**(1.94_pr)* &
exp(-(1.4285e+04_pr)/(8.314_pr*Tloc))
k(r107b) = (1.76462743e-02_pr)*Tloc**(2.41_pr)* &
exp(-(2.0639e+04_pr)/(8.314_pr*Tloc))
k(r108b) = (1.56285114e-02_pr)*Tloc**(2.39_pr)* &
exp(-(4.0043e+04_pr)/(8.314_pr*Tloc))
k111b_0 = (4.68570041e+33_pr)*Tloc**(-6.79_pr)* &
exp(-(1.7562e+05_pr)/(8.314_pr*Tloc))
k111b_inf = (3.16001601e+09_pr)*Tloc**(1.31_pr)* &
exp(-(1.5715e+05_pr)/(8.314_pr*Tloc))
FC111b = (1.569e+00_pr)* &
exp(-Tloc/(2.990e+02_pr)) + (-5.690e-01_pr)* &
exp(-Tloc/(9.147e+03_pr)) + (1.000e+00_pr)* &
exp(-(-1.524e+02_pr)/Tloc)
k(r111b) =getlindratecoeff &
(Tloc, k111b_0, k111b_inf, FC111b, M(mM36), Ploc )
k(r112b) = (1.28467552e+15_pr)*Tloc**(-1.91_pr)* &
exp(-(8.6646e+04_pr)/(8.314_pr*Tloc))
k(r115b) = (1.54288025e+04_pr)*Tloc**(0.11_pr)* &
exp(-(5.3333e+04_pr)/(8.314_pr*Tloc))
k(r123b) = (1.81461290e-02_pr)*Tloc**(2.48_pr)* &
exp(-(4.2819e+04_pr)/(8.314_pr*Tloc))
k(r126b) = (1.34398568e+02_pr)*Tloc**(1.54_pr)* &
exp(-(7.1903e+04_pr)/(8.314_pr*Tloc))
k(r131b) = (4.79804484e-04_pr)*Tloc**(2.99_pr)* &
exp(-(1.3859e+05_pr)/(8.314_pr*Tloc))
k132b_0 = (4.89173629e+35_pr)*Tloc**(-7.63_pr)* &
exp(-(2.0536e+05_pr)/(8.314_pr*Tloc))
k132b_inf = (4.24808678e+14_pr)*Tloc**(-0.05_pr)* &
exp(-(1.9113e+05_pr)/(8.314_pr*Tloc))
FC132b = (6.630e-01_pr)* &
exp(-Tloc/(1.707e+03_pr)) + (3.370e-01_pr)* &
exp(-Tloc/(3.200e+03_pr)) + (1.000e+00_pr)* &
exp(-(4.131e+03_pr)/Tloc)
k(r132b) =getlindratecoeff &
(Tloc, k132b_0, k132b_inf, FC132b, M(mM28), Ploc )
k(r133b) = (3.27083396e+04_pr)*Tloc**(0.62_pr)* &
exp(-(2.0517e+04_pr)/(8.314_pr*Tloc))
k(r135b) = (6.11955446e+04_pr)*Tloc**(0.50_pr)* &
exp(-(5.8539e+04_pr)/(8.314_pr*Tloc))
k(r138b) = (1.93941875e+05_pr)*Tloc**(-0.05_pr)* &
exp(-(4.9235e+04_pr)/(8.314_pr*Tloc))
k(r144b) = (3.09703299e+61_pr)*Tloc**(-14.09_pr)* &
exp(-(3.5217e+05_pr)/(8.314_pr*Tloc))
k149b_0 = (5.38125477e+54_pr)*Tloc**(-11.66_pr)* &
exp(-(3.9318e+05_pr)/(8.314_pr*Tloc))
k149b_inf = (8.09211244e+14_pr)*Tloc**(0.34_pr)* &
exp(-(3.6821e+05_pr)/(8.314_pr*Tloc))
FC149b = (9.800e-01_pr)* &
exp(-Tloc/(1.097e+03_pr)) + (2.000e-02_pr)* &
exp(-Tloc/(1.097e+03_pr)) + (1.000e+00_pr)* &
exp(-(6.860e+03_pr)/Tloc)
k(r149b) =getlindratecoeff &
(Tloc, k149b_0, k149b_inf, FC149b, M(mM41), Ploc )
k(r155b) = (6.03518455e+06_pr)*Tloc**(0.38_pr)* &
exp(-(1.6340e+05_pr)/(8.314_pr*Tloc))
k(r159b) = (4.30991785e+09_pr)*Tloc**(-1.03_pr)* &
exp(-(8.1305e+04_pr)/(8.314_pr*Tloc))
k(r164b) = (2.50500268e+09_pr)*Tloc**(-0.93_pr)* &
exp(-(7.5380e+04_pr)/(8.314_pr*Tloc))
k(r166b) = (3.63302100e+23_pr)*Tloc**(-5.11_pr)* &
exp(-(8.3871e+04_pr)/(8.314_pr*Tloc))
k(r167b) = (7.97871532e+12_pr)*Tloc**(-1.09_pr)* &
exp(-(1.0600e+05_pr)/(8.314_pr*Tloc))
k(r168b) = (1.41265369e+10_pr)*Tloc**(-0.66_pr)* &
exp(-(6.0818e+04_pr)/(8.314_pr*Tloc))
k(r170b) = (1.06191107e+03_pr)*Tloc**(1.70_pr)* &
exp(-(6.7692e+04_pr)/(8.314_pr*Tloc))
k(r172b) = (2.74399804e-08_pr)*Tloc**(4.40_pr)* &
exp(-(5.4095e+04_pr)/(8.314_pr*Tloc))
k(r175b) = (2.12206786e+22_pr)*Tloc**(-1.72_pr)* &
exp(-(4.4210e+05_pr)/(8.314_pr*Tloc))
k(r176b) = (2.67127191e-04_pr)*Tloc**(2.90_pr)* &
exp(-(2.6109e+04_pr)/(8.314_pr*Tloc))
k(r181b) = (2.62480944e+51_pr)*Tloc**(-11.79_pr)* &
exp(-(2.0705e+05_pr)/(8.314_pr*Tloc))
k182b_0 = (2.95991600e+97_pr)*Tloc**(-24.20_pr)* &
exp(-(4.3980e+05_pr)/(8.314_pr*Tloc))
k182b_inf = (2.69083273e+14_pr)*Tloc**(0.43_pr)* &
exp(-(3.7876e+05_pr)/(8.314_pr*Tloc))
FC182b = (5.690e-01_pr)* &
exp(-Tloc/(3.830e+02_pr)) + (4.310e-01_pr)* &
exp(-Tloc/(1.520e+02_pr)) + (1.000e+00_pr)* &
exp(-(4.730e+03_pr)/Tloc)
k(r182b) =getlindratecoeff &
(Tloc, k182b_0, k182b_inf, FC182b, M(mM63), Ploc )
k(r185b) = (6.30840850e-06_pr)*Tloc**(3.49_pr)* &
exp(-(5.0138e+04_pr)/(8.314_pr*Tloc))
k(r186b) = (1.98818845e+08_pr)*Tloc**(-0.47_pr)* &
exp(-(5.9530e+03_pr)/(8.314_pr*Tloc))
k(r188b) = (1.26386717e+07_pr)*Tloc**(-0.10_pr)* &
exp(-(8.9395e+04_pr)/(8.314_pr*Tloc))
k(r199b) = (1.05285655e+07_pr)*Tloc**(-0.06_pr)* &
exp(-(3.9788e+04_pr)/(8.314_pr*Tloc))
end subroutine get_rate_coefficients
! --- Reaction rates --- !
subroutine get_reaction_rates(w,k,m,c,cqss)
implicit none
real(pr), dimension(nspec) :: c
real(pr), dimension(nqss) :: cqss
real(pr), dimension(nreac) :: w,k
real(pr), dimension(23) :: m
w(r1) = k(r1) * c(sH)**2.000000000_pr * m(mM1)
w(r2f) = k(r2f) * c(sO) * c(sH2)
w(r3) = k(r3) * c(sO) * c(sH) * m(mM3)
w(r4f) = k(r4f) * c(sOH) * c(sH2)
w(r5f) = k(r5f) * c(sOH)**2.000000000_pr
w(r6f) = k(r6f) * c(sH) * c(sOH) * m(mM2)
w(r7f) = k(r7f) * c(sOH)**2.000000000_pr
w(r8f) = k(r8f) * c(sH) * c(sO2)
w(r9f) = k(r9f) * c(sH2) * c(sO2)
w(r10f) = k(r10f) * c(sH) * c(sO2)
w(r11) = k(r11) * c(sOH) * c(sHO2)
w(r12) = k(r12) * c(sHO2) * c(sO)
w(r13) = k(r13) * c(sOH) * c(sHO2)
w(r14f) = k(r14f) * c(sOH) * c(sHO2)
w(r15) = k(r15) * c(sHO2)**2.000000000_pr
w(r16) = k(r16) * c(sHO2) * c(sH)
w(r17) = k(r17) * c(sHO2) * c(sH)
w(r18) = k(r18) * c(sOH) * c(sHO2)
w(r19) = k(r19) * c(sOH) * c(sHO2)
w(r20) = k(r20) * c(sHO2)**2.000000000_pr
w(r21) = k(r21) * c(sH2O2) * c(sO)
w(r22) = k(r22) * c(sH2O2) * c(sOH)
w(r23f) = k(r23f) * c(sH2O2) * c(sH)
w(r24) = k(r24) * c(sH2O2) * c(sH)
w(r25f) = k(r25f) * c(sH2O2) * c(sOH)
w(r26) = k(r26) * cqss(sCH2-nspec) * c(sHO2)
w(r27) = k(r27) * cqss(sCH2-nspec) * c(sO2)
w(r28) = k(r28) * cqss(sCH2-nspec) * c(sO2)
w(r29) = k(r29) * cqss(sCH2-nspec) * c(sOH)
w(r30) = k(r30) * cqss(sCH2-nspec) * c(sO)
w(r31f) = k(r31f) * cqss(sCH2DXCH2-nspec) * c(sH2O)
w(r32) = k(r32) * cqss(sCH2DXCH2-nspec) * c(sO)
w(r33) = k(r33) * cqss(sCH2DXCH2-nspec) * c(sO2)
w(r34) = k(r34) * cqss(sCH2DXCH2-nspec) * c(sOH)
w(r35f) = k(r35f) * cqss(sCH2DXCH2-nspec) * c(sH2)
w(r36) = k(r36) * cqss(sCH2DXCH2-nspec) * c(sO2)
w(r37) = k(r37) * c(sCH3) * c(sHO2)
w(r38) = k(r38) * c(sCH3)**2.000000000_pr
w(r39) = k(r39) * c(sCH3) * cqss(sCH2-nspec)
w(r40f) = k(r40f) * c(sCH3) * c(sO)
w(r41f) = k(r41f) * c(sCH3) * c(sOH)
w(r42) = k(r42) * c(sCH3) * c(sHO2)
w(r43f) = k(r43f) * c(sCH3)**2.000000000_pr
w(r44f) = k(r44f) * c(sCH3)**2.000000000_pr
w(r45) = k(r45) * c(sCH3) * c(sH)
w(r46) = k(r46) * c(sCH3) * c(sO2)
w(r47f) = k(r47f) * c(sCH3) * c(sH)
w(r48f) = k(r48f) * c(sCH3) * c(sO2)
w(r49) = k(r49) * c(sCH3) * cqss(sCH2DXCH2-nspec)
w(r50f) = k(r50f) * c(sCH3) * c(sH2O2)
w(r51f) = k(r51f) * c(sCH3) * c(sOH)
w(r52f) = k(r52f) * c(sCH4) * c(sH)
w(r53f) = k(r53f) * c(sCH4) * c(sO)
w(r54f) = k(r54f) * c(sCH4) * cqss(sCH2DXCH2-nspec)
w(r55f) = k(r55f) * c(sCH4) * c(sOH)
w(r56) = k(r56) * c(sCO) * c(sHO2)
w(r57f) = k(r57f) * cqss(sCH2DXCH2-nspec) * c(sCO)
w(r58f) = k(r58f) * c(sCO) * c(sOH)
w(r59f) = k(r59f) * c(sCO) * c(sOH)
w(r60f) = k(r60f) * cqss(sCH2-nspec) * c(sCO)
w(r61) = k(r61) * c(sCO) * c(sO)
w(r62f) = k(r62f) * cqss(sHCO-nspec) * m(mM8)
w(r63) = k(r63) * cqss(sHCO-nspec) * c(sOH)
w(r64) = k(r64) * cqss(sHCO-nspec) * c(sH)
w(r65) = k(r65) * cqss(sHCO-nspec) * c(sO)
w(r66) = k(r66) * cqss(sHCO-nspec) * c(sO2)
w(r67) = k(r67) * cqss(sHCO-nspec) * c(sO)
w(r68f) = k(r68f) * cqss(sHCO-nspec) * c(sH2O)
w(r69) = k(r69) * c(sCH3) * cqss(sHCO-nspec)
w(r70) = k(r70) * c(sCH2O) * c(sHO2)
w(r71) = k(r71) * c(sCH2O) * c(sH)
w(r72) = k(r72) * c(sCH2O)
w(r73) = k(r73) * c(sCH2O) * c(sO)
w(r74) = k(r74) * c(sCH2O)
w(r75f) = k(r75f) * c(sCH2O) * c(sOH)
w(r76) = k(r76) * c(sCH2O) * c(sO2)
w(r77) = k(r77) * c(sCH3) * c(sCH2O)
w(r78) = k(r78) * cqss(sCH3O-nspec) * c(sH)
w(r79) = k(r79) * cqss(sCH3O-nspec)
w(r80f) = k(r80f) * cqss(sCH3O-nspec) * c(sH)
w(r81) = k(r81) * cqss(sCH3O-nspec) * c(sH)
w(r82) = k(r82) * cqss(sCH3O-nspec) * c(sO2)
w(r83) = k(r83) * cqss(sCH2DXCH2-nspec) * c(sCO2)
w(r84f) = k(r84f) * cqss(sCH2DXCH2-nspec) * c(sCO2)
w(r85f) = k(r85f) * c(sC2H2) * c(sO)
w(r86) = k(r86) * c(sC2H2) * c(sOH)
w(r87f) = k(r87f) * c(sC2H2) * cqss(sHCO-nspec)
w(r88) = k(r88) * c(sC2H2) * c(sO)
w(r89) = k(r89) * cqss(sC2H3-nspec) * c(sCH3)
w(r90f) = k(r90f) * cqss(sC2H3-nspec) * c(sH)
w(r91) = k(r91) * cqss(sC2H3-nspec) * c(sO2)
w(r92) = k(r92) * cqss(sC2H3-nspec) * c(sO)
w(r93) = k(r93) * cqss(sC2H3-nspec) * c(sH)
w(r94) = k(r94) * cqss(sC2H3-nspec) * c(sO2)
w(r95f) = k(r95f) * cqss(sC2H3-nspec)
w(r96) = k(r96) * cqss(sC2H3-nspec) * c(sHO2)
w(r97) = k(r97) * cqss(sC2H3-nspec) * c(sO)
w(r99) = k(r99) * cqss(sC2H3-nspec) * c(sOH)
w(r100f) = k(r100f) * cqss(sC2H3-nspec) * c(sCH3)
w(r101) = k(r101) * cqss(sC2H3-nspec) * c(sO2)
w(r102f) = k(r102f) * cqss(sC2H3-nspec) * c(sCH3)
w(r103f) = k(r103f) * c(sC2H4) * c(sO)
w(r104f) = k(r104f) * c(sC2H4) * cqss(sCH2DXCH2-nspec)
w(r105) = k(r105) * c(sC2H4) * c(sO)
w(r106f) = k(r106f) * c(sC2H4) * c(sCH3)
w(r107f) = k(r107f) * c(sC2H4) * c(sH)
w(r108f) = k(r108f) * c(sC2H4) * c(sOH)
w(r109) = k(r109) * c(sC2H4) * cqss(sHCO-nspec)
w(r110) = k(r110) * c(sC2H4) * c(sO)
w(r111f) = k(r111f) * c(sC2H4) * c(sH)
w(r112f) = k(r112f) * c(sC2H4) * cqss(sCH2-nspec)
w(r113) = k(r113) * cqss(sC2H5-nspec) * c(sH)
w(r114) = k(r114) * cqss(sC2H5-nspec) * c(sH)
w(r115f) = k(r115f) * cqss(sC2H5-nspec) * c(sO2)
w(r116) = k(r116) * cqss(sC2H5-nspec) * c(sHO2)
w(r117) = k(r117) * cqss(sC2H5-nspec) * c(sHO2)
w(r118) = k(r118) * cqss(sC2H5-nspec) * c(sO)
w(r119) = k(r119) * cqss(sC2H5-nspec) * c(sHO2)
w(r120) = k(r120) * c(sC2H6) * c(sCH3)
w(r121) = k(r121) * c(sC2H6) * c(sO)
w(r122) = k(r122) * c(sC2H6) * c(sOH)
w(r123f) = k(r123f) * c(sC2H6) * c(sH)
w(r124) = k(r124) * c(sC2H6) * cqss(sCH2DXCH2-nspec)
w(r125) = k(r125) * c(sCH3) * cqss(sHCCO-nspec)
w(r126f) = k(r126f) * cqss(sHCCO-nspec) * c(sH)
w(r127) = k(r127) * cqss(sHCCO-nspec) * c(sO2)
w(r129) = k(r129) * cqss(sHCCO-nspec) * c(sO)
w(r131f) = k(r131f) * c(sCH2CO) * c(sH)
w(r132f) = k(r132f) * c(sCH2CO) * c(sH)
w(r133f) = k(r133f) * c(sCH2CO) * c(sH)
w(r134) = k(r134) * c(sCH2CO) * c(sO)
w(r135f) = k(r135f) * c(sCH2CO) * c(sOH)
w(r136) = k(r136) * c(sCH2CO) * c(sO)
w(r137) = k(r137) * cqss(sCH2CHO-nspec) * c(sO2)
w(r138f) = k(r138f) * cqss(sCH2CHO-nspec) * c(sO2)
w(r139) = k(r139) * cqss(sCH2CHO-nspec) * c(sH)
w(r140) = k(r140) * cqss(sCH2CHO-nspec)
w(r141) = k(r141) * cqss(sCH2CHO-nspec) * c(sO)
w(r142) = k(r142) * cqss(sCH2CHO-nspec) * c(sOH)
w(r143) = k(r143) * cqss(sCH2CHO-nspec) * c(sH)
w(r144f) = k(r144f) * c(sAXC3H4) * c(sH)
w(r145) = k(r145) * c(sAXC3H4) * c(sO)
w(r146) = k(r146) * c(sH) * c(sAXC3H4)
w(r147) = k(r147) * cqss(sAXC3H5-nspec) * c(sCH3)
w(r148) = k(r148) * cqss(sAXC3H5-nspec) * c(sHO2)
w(r149f) = k(r149f) * cqss(sAXC3H5-nspec) * c(sH)
w(r150) = k(r150) * cqss(sAXC3H5-nspec) * c(sH)
w(r151) = k(r151) * cqss(sAXC3H5-nspec)
w(r152) = k(r152) * c(sCH3) * cqss(sAXC3H5-nspec)
w(r154) = k(r154) * cqss(sAXC3H5-nspec) * c(sOH)
w(r155f) = k(r155f) * cqss(sAXC3H5-nspec) * c(sHO2)
w(r156) = k(r156) * c(sC3H6) * c(sCH3)
w(r157) = k(r157) * c(sC3H6) * c(sO)
w(r158) = k(r158) * c(sC3H6) * c(sHO2)
w(r159f) = k(r159f) * c(sC3H6) * c(sH)
w(r160) = k(r160) * c(sC3H6) * c(sOH)
w(r161) = k(r161) * c(sC3H6) * c(sH)
w(r162) = k(r162) * c(sC3H6) * c(sO)
w(r163) = k(r163) * c(sC3H6) * c(sO)
w(r164f) = k(r164f) * c(sIXC4H8) * c(sH)
w(r165) = k(r165) * c(sIXC4H8) * c(sO)
w(r166f) = k(r166f) * c(sC5H6) * c(sH)
w(r167f) = k(r167f) * cqss(sC6H5-nspec) * c(sOH)
w(r168f) = k(r168f) * cqss(sC6H5-nspec) * c(sO2)
w(r169) = k(r169) * cqss(sC6H5-nspec) * c(sO2)
w(r170f) = k(r170f) * cqss(sC6H5-nspec) * c(sH2)
w(r171) = k(r171) * cqss(sC6H5-nspec) * c(sCH2O)
w(r172f) = k(r172f) * cqss(sC6H5-nspec) * c(sCH4)
w(r173) = k(r173) * cqss(sC6H5-nspec) * c(sHO2)
w(r174) = k(r174) * cqss(sC6H5-nspec) * c(sH)
w(r175f) = k(r175f) * cqss(sC6H5-nspec) * c(sCH3)
w(r176f) = k(r176f) * c(sC6H6) * c(sOH)
w(r177) = k(r177) * c(sC6H6) * c(sO)
w(r178) = k(r178) * c(sC6H5O) * c(sH)
w(r179) = k(r179) * c(sC6H4O2) * c(sO)
w(r180) = k(r180) * cqss(sC6H5CH2-nspec) * c(sO)
w(r181f) = k(r181f) * cqss(sC6H5CH2-nspec) * c(sH)
w(r182f) = k(r182f) * cqss(sC6H5CH2-nspec) * c(sH)
w(r183) = k(r183) * cqss(sC6H5CH2-nspec) * c(sHO2)
w(r184) = k(r184) * c(sC6H5CH3) * c(sHO2)
w(r185f) = k(r185f) * c(sC6H5CH3) * c(sH)
w(r186f) = k(r186f) * c(sC6H5CH3) * c(sO2)
w(r187) = k(r187) * c(sC6H5CH3) * c(sCH3)
w(r188f) = k(r188f) * c(sC6H5CH3) * c(sH)
w(r189) = k(r189) * c(sC6H5CH3) * cqss(sC6H5-nspec)
w(r190) = k(r190) * c(sC6H5CH3) * c(sOH)
w(r191) = k(r191) * cqss(sC6H5CHO-nspec)
w(r192) = k(r192) * cqss(sC6H5CHO-nspec) * c(sH)
w(r193) = k(r193) * c(sPOSF10325XC11H22) &
* c(sO2)
w(r194) = k(r194) * c(sPOSF10325XC11H22) &
* c(sHO2)
w(r195) = k(r195) * c(sPOSF10325XC11H22) * c(sOH)
w(r196) = k(r196) * c(sPOSF10325XC11H22) * c(sCH3)
w(r197) = k(r197) * c(sPOSF10325XC11H22) * c(sH)
w(r198) = k(r198) * c(sPOSF10325XC11H22)
w(r199f) = k(r199f) * cqss(sCH2DXCH2-nspec) &
* c(sN2)
w(r2b) = k(r2b) * c(sH) * c(sOH)
w(r4b) = k(r4b) * c(sH) * c(sH2O)
w(r5b) = k(r5b) * c(sO) * c(sH2O)
w(r6b) = k(r6b) * c(sH2O) * m(mM2)
w(r7b) = k(r7b) * c(sH2O2)
w(r8b) = k(r8b) * c(sHO2)
w(r9b) = k(r9b) * c(sHO2) * c(sH)
w(r10b) = k(r10b) * c(sO) * c(sOH)
w(r14b) = k(r14b) * c(sH2O) * c(sO2)
w(r23b) = k(r23b) * c(sHO2) * c(sH2)
w(r25b) = k(r25b) * c(sHO2) * c(sH2O)
w(r31b) = k(r31b) * cqss(sCH2-nspec) * c(sH2O)
w(r35b) = k(r35b) * c(sCH3) * c(sH)
w(r40b) = k(r40b) * c(sCH2O) * c(sH)
w(r41b) = k(r41b) * cqss(sCH2-nspec) * c(sH2O)
w(r43b) = k(r43b) * c(sC2H6)
w(r44b) = k(r44b) * c(sH) * cqss(sC2H5-nspec)
w(r47b) = k(r47b) * c(sCH4)
w(r48b) = k(r48b) * c(sO) * cqss(sCH3O-nspec)
w(r50b) = k(r50b) * c(sCH4) * c(sHO2)
w(r51b) = k(r51b) * cqss(sCH2DXCH2-nspec) &
* c(sH2O)
w(r52b) = k(r52b) * c(sCH3) * c(sH2)
w(r53b) = k(r53b) * c(sCH3) * c(sOH)
w(r54b) = k(r54b) * c(sCH3)**2.000000000_pr
w(r55b) = k(r55b) * c(sCH3) * c(sH2O)
w(r57b) = k(r57b) * cqss(sCH2-nspec) * c(sCO)
w(r58b) = k(r58b) * c(sCO2) * c(sH)
w(r59b) = k(r59b) * c(sCO2) * c(sH)
w(r60b) = k(r60b) * c(sCH2CO)
w(r62b) = k(r62b) * c(sCO) * c(sH) * m(mM8)
w(r68b) = k(r68b) * c(sCO) * c(sH) * c(sH2O)
w(r75b) = k(r75b) * cqss(sHCO-nspec) * c(sH2O)
w(r80b) = k(r80b) * c(sCH3) * c(sOH)
w(r84b) = k(r84b) * cqss(sCH2-nspec) * c(sCO2)
w(r85b) = k(r85b) * cqss(sHCCO-nspec) * c(sH)
w(r87b) = k(r87b) * cqss(sC2H3-nspec) * c(sCO)
w(r90b) = k(r90b) * c(sC2H4)
w(r95b) = k(r95b) * c(sC2H2) * c(sH)
w(r100b) = k(r100b) * cqss(sAXC3H5-nspec) * c(sH)
w(r102b) = k(r102b) * c(sC3H6)
w(r103b) = k(r103b) * cqss(sC2H3-nspec) * c(sOH)
w(r104b) = k(r104b) * cqss(sAXC3H5-nspec) * c(sH)
w(r106b) = k(r106b) * cqss(sC2H3-nspec) * c(sCH4)
w(r107b) = k(r107b) * cqss(sC2H3-nspec) * c(sH2)
w(r108b) = k(r108b) * cqss(sC2H3-nspec) * c(sH2O)
w(r111b) = k(r111b) * cqss(sC2H5-nspec)
w(r112b) = k(r112b) * cqss(sAXC3H5-nspec) * c(sH)
w(r115b) = k(r115b) * c(sC2H4) * c(sHO2)
w(r123b) = k(r123b) * cqss(sC2H5-nspec) * c(sH2)
w(r126b) = k(r126b) * cqss(sCH2DXCH2-nspec) * c(sCO)
w(r131b) = k(r131b) * c(sCH3) * c(sCO)
w(r132b) = k(r132b) * cqss(sCH2CHO-nspec)
w(r133b) = k(r133b) * cqss(sHCCO-nspec) * c(sH2)
w(r135b) = k(r135b) * cqss(sHCCO-nspec) * c(sH2O)
w(r138b) = k(r138b) * c(sCH2CO) * c(sHO2)
w(r144b) = k(r144b) * cqss(sAXC3H5-nspec)
w(r149b) = k(r149b) * c(sC3H6)
w(r155b) = k(r155b) * c(sC3H6) * c(sO2)
w(r159b) = k(r159b) * c(sC2H4) * c(sCH3)
w(r164b) = k(r164b) * c(sC3H6) * c(sCH3)
w(r166b) = k(r166b) * c(sC2H2) * cqss(sAXC3H5-nspec)
w(r167b) = k(r167b) * c(sC6H5O) * c(sH)
w(r168b) = k(r168b) * c(sC6H5O) * c(sO)
w(r170b) = k(r170b) * c(sC6H6) * c(sH)
w(r172b) = k(r172b) * c(sC6H6) * c(sCH3)
w(r175b) = k(r175b) * c(sC6H5CH3)
w(r176b) = k(r176b) * cqss(sC6H5-nspec) * c(sH2O)
w(r181b) = k(r181b) * cqss(sC6H5-nspec) * c(sCH3)
w(r182b) = k(r182b) * c(sC6H5CH3)
w(r185b) = k(r185b) * c(sC6H6) * c(sCH3)
w(r186b) = k(r186b) * cqss(sC6H5CH2-nspec) * c(sHO2)
w(r188b) = k(r188b) * cqss(sC6H5CH2-nspec) * c(sH2)
w(r199b) = k(r199b) * cqss(sCH2-nspec) * c(sN2)
end subroutine get_reaction_rates
! --- Production rates --- !
subroutine get_production_rates(cdot,w)
implicit none
real(pr), dimension(nspec) :: cdot
real(pr), dimension(nreac) :: w
cdot(sN2) = 0.0_pr - &
w(r199f) + &
w(r199f) - &
w(r199b) + &
w(r199b)
cdot(sH) = 0.0_pr - 2.000000000_pr * &
w(r1) + &
w(r2f) - &
w(r3) + &
w(r4f) - &
w(r6f) - &
w(r8f) + &
w(r9f) - &
w(r10f) - &
w(r16) - &
w(r17) - &
w(r23f) - &
w(r24) + 2.000000000_pr * &
w(r27) + &
w(r29) + &
w(r30) + &
w(r32) + &
w(r34) + &
w(r35f) + &
w(r36) + &
w(r39) + &
w(r40f) + &
w(r44f) - &
w(r45) - &
w(r47f) + &
w(r49) - &
w(r52f) + &
w(r58f) + &
w(r59f) + &
w(r62f) - &
w(r64) + &
w(r65) + &
w(r68f) - &
w(r71) + &
w(r74) - &
w(r78) + &
w(r79) - &
w(r80f) - &
w(r81) + &
w(r85f) + &
w(r86) - &
w(r90f) + &
w(r92) - &
w(r93) + &
w(r95f) + &
w(r100f) + &
w(r104f) - &
w(r107f) - &
w(r111f) + &
w(r112f) - &
w(r113)
cdot(sH) = cdot(sH) - &
w(r114) - &
w(r123f) - &
w(r126f) + &
w(r129) - &
w(r131f) - &
w(r132f) - &
w(r133f) - &
w(r139) - &
w(r143) - &
w(r144f) - &
w(r146) - &
w(r149f) - &
w(r150) + &
w(r157) - &
w(r159f) - &
w(r161) - &
w(r164f) - &
w(r166f) + &
w(r167f) + &
w(r169) + &
w(r170f) - &
w(r174) + &
w(r177) - &
w(r178) + &
w(r180) - &
w(r181f) - &
w(r182f) + &
w(r183) - &
w(r185f) - &
w(r188f) - &
w(r192) + 0.400000000_pr * &
w(r193) + 0.400000000_pr * &
w(r194) + 0.400000000_pr * &
w(r195) + 0.400000000_pr * &
w(r196) - &
w(r197) + 0.400000000_pr * &
w(r197) + &
w(r198) - &
w(r2b) - &
w(r4b) + &
w(r6b) + &
w(r8b) - &
w(r9b) + &
w(r10b) + &
w(r23b) - &
w(r35b) - &
w(r40b) - &
w(r44b) + &
w(r47b) + &
w(r52b)
cdot(sH) = cdot(sH) - &
w(r58b) - &
w(r59b) - &
w(r62b) - &
w(r68b) + &
w(r80b) - &
w(r85b) + &
w(r90b) - &
w(r95b) - &
w(r100b) - &
w(r104b) + &
w(r107b) + &
w(r111b) - &
w(r112b) + &
w(r123b) + &
w(r126b) + &
w(r131b) + &
w(r132b) + &
w(r133b) + &
w(r144b) + &
w(r149b) + &
w(r159b) + &
w(r164b) + &
w(r166b) - &
w(r167b) - &
w(r170b) + &
w(r181b) + &
w(r182b) + &
w(r185b) + &
w(r188b)
cdot(sH2) = 0.0_pr + &
w(r1) - &
w(r2f) - &
w(r4f) - &
w(r9f) + &
w(r23f) - &
w(r35f) + &
w(r45) + &
w(r52f) + &
w(r64) + &
w(r71) + &
w(r72) + &
w(r78) + &
w(r93) + &
w(r107f) + &
w(r114) + &
w(r123f) + &
w(r133f) + &
w(r139) + &
w(r150) + &
w(r161) - &
w(r170f) + &
w(r188f) + &
w(r197) + &
w(r2b) + &
w(r4b) + &
w(r9b) - &
w(r23b) + &
w(r35b) - &
w(r52b) - &
w(r107b) - &
w(r123b) - &
w(r133b) + &
w(r170b) - &
w(r188b)
cdot(sO) = 0.0_pr - &
w(r2f) - &
w(r3) + &
w(r5f) + &
w(r10f) - &
w(r12) + &
w(r17) - &
w(r21) - &
w(r30) - &
w(r32) - &
w(r40f) + &
w(r48f) - &
w(r53f) - &
w(r61) - &
w(r65) - &
w(r67) - &
w(r73) - &
w(r85f) - &
w(r88) - &
w(r92) - &
w(r97) + &
w(r101) - &
w(r103f) - &
w(r105) - &
w(r110) - &
w(r118) - &
w(r121) - &
w(r129) - &
w(r134) - &
w(r136) - &
w(r141) - &
w(r145) - &
w(r157) - &
w(r162) - &
w(r163) - &
w(r165) + &
w(r168f) - &
w(r177) - &
w(r179) - &
w(r180) + &
w(r2b) - &
w(r5b) - &
w(r10b) + &
w(r40b) - &
w(r48b) + &
w(r53b) + &
w(r85b) + &
w(r103b) - &
w(r168b)
cdot(sOH) = 0.0_pr + &
w(r2f) + &
w(r3) - &
w(r4f) - 2.000000000_pr * &
w(r5f) - &
w(r6f) - 2.000000000_pr * &
w(r7f) + &
w(r10f) - &
w(r11) + &
w(r12) - &
w(r13) - &
w(r14f) + 2.000000000_pr * &
w(r16) - &
w(r18) - &
w(r19) + &
w(r21) - &
w(r22) + &
w(r24) - &
w(r25f) + &
w(r26) + &
w(r28) - &
w(r29) - &
w(r34) + &
w(r36) + &
w(r37) - &
w(r41f) + &
w(r46) - &
w(r51f) + &
w(r53f) - &
w(r55f) + &
w(r56) - &
w(r58f) - &
w(r59f) - &
w(r63) + &
w(r67) + &
w(r73) - &
w(r75f) + &
w(r80f) - &
w(r86) + &
w(r96) - &
w(r99) + &
w(r103f) - &
w(r108f) + &
w(r116) + &
w(r121) - &
w(r122) + &
w(r127) + &
w(r134) - &
w(r135f) + &
w(r137) + &
w(r141)
cdot(sOH) = cdot(sOH) - &
w(r142) + &
w(r148) - &
w(r154) - &
w(r160) + &
w(r162) - &
w(r167f) + &
w(r173) - &
w(r176f) + &
w(r183) - &
w(r190) - &
w(r195) - &
w(r2b) + &
w(r4b) + 2.000000000_pr * &
w(r5b) + &
w(r6b) + 2.000000000_pr * &
w(r7b) - &
w(r10b) + &
w(r14b) + &
w(r25b) + &
w(r41b) + &
w(r51b) - &
w(r53b) + &
w(r55b) + &
w(r58b) + &
w(r59b) + &
w(r75b) - &
w(r80b) - &
w(r103b) + &
w(r108b) + &
w(r135b) + &
w(r167b) + &
w(r176b)
cdot(sH2O) = 0.0_pr + &
w(r4f) + &
w(r5f) + &
w(r6f) + &
w(r11) + &
w(r13) + &
w(r14f) + &
w(r17) + &
w(r18) + &
w(r19) + &
w(r22) + &
w(r24) + &
w(r25f) - &
w(r31f) + &
w(r31f) + &
w(r33) + &
w(r41f) + &
w(r51f) + &
w(r55f) + &
w(r63) - &
w(r68f) + &
w(r68f) + &
w(r75f) + &
w(r81) + &
w(r99) + &
w(r108f) + &
w(r122) + &
w(r135f) + &
w(r142) + &
w(r154) + &
w(r160) + &
w(r176f) + &
w(r190) + &
w(r195) - &
w(r4b) - &
w(r5b) - &
w(r6b) - &
w(r14b) - &
w(r25b) - &
w(r31b) + &
w(r31b) - &
w(r41b) - &
w(r51b) - &
w(r55b) - &
w(r68b) + &
w(r68b) - &
w(r75b) - &
w(r108b) - &
w(r135b) - &
w(r176b)
cdot(sH2O2) = 0.0_pr + &
w(r7f) + &
w(r15) + &
w(r20) - &
w(r21) - &
w(r22) - &
w(r23f) - &
w(r24) - &
w(r25f) - &
w(r50f) + &
w(r70) + &
w(r119) + &
w(r158) + &
w(r184) + &
w(r194) - &
w(r7b) + &
w(r23b) + &
w(r25b) + &
w(r50b)
cdot(sO2) = 0.0_pr - &
w(r8f) - &
w(r9f) - &
w(r10f) + &
w(r11) + &
w(r12) + &
w(r13) + &
w(r14f) + &
w(r15) + &
w(r18) + &
w(r19) + &
w(r20) - &
w(r27) - &
w(r28) - &
w(r33) - &
w(r36) + &
w(r42) - &
w(r46) - &
w(r48f) - &
w(r66) - &
w(r76) - &
w(r82) - &
w(r91) - &
w(r94) - &
w(r101) - &
w(r115f) + &
w(r117) - &
w(r127) - &
w(r137) - &
w(r138f) + &
w(r155f) - &
w(r168f) - &
w(r169) - &
w(r186f) - &
w(r193) + &
w(r8b) + &
w(r9b) + &
w(r10b) - &
w(r14b) + &
w(r48b) + &
w(r115b) + &
w(r138b) - &
w(r155b) + &
w(r168b) + &
w(r186b)
cdot(sHO2) = 0.0_pr + &
w(r8f) + &
w(r9f) - &
w(r11) - &
w(r12) - &
w(r13) - &
w(r14f) - 2.000000000_pr * &
w(r15) - &
w(r16) - &
w(r17) - &
w(r18) - &
w(r19) - 2.000000000_pr * &
w(r20) + &
w(r21) + &
w(r22) + &
w(r23f) + &
w(r25f) - &
w(r26) - &
w(r37) - &
w(r42) + &
w(r50f) - &
w(r56) + &
w(r66) - &
w(r70) + &
w(r76) + &
w(r82) + &
w(r91) - &
w(r96) + &
w(r115f) - &
w(r116) - &
w(r117) - &
w(r119) + &
w(r138f) - &
w(r148) - &
w(r155f) - &
w(r158) - &
w(r173) - &
w(r183) - &
w(r184) + &
w(r186f) + &
w(r193) - &
w(r194) - &
w(r8b) - &
w(r9b) + &
w(r14b) - &
w(r23b) - &
w(r25b) - &
w(r50b) - &
w(r115b) - &
w(r138b) + &
w(r155b)
cdot(sHO2) = cdot(sHO2) - &
w(r186b)
!cdot(sCH2) = 0.0_pr
cdot(sCH2O) = 0.0_pr + &
w(r26) + &
w(r29) + &
w(r34) + &
w(r40f) + &
w(r46) - &
w(r70) - &
w(r71) - &
w(r72) - &
w(r73) - &
w(r74) - &
w(r75f) - &
w(r76) - &
w(r77) + &
w(r78) + &
w(r79) + &
w(r82) + &
w(r83) + &
w(r94) + &
w(r110) + &
w(r116) + &
w(r118) + &
w(r137) + &
w(r148) - &
w(r171) - &
w(r40b) + &
w(r75b)
cdot(sCO2) = 0.0_pr + &
w(r27) + &
w(r56) + &
w(r58f) + &
w(r59f) + &
w(r61) + &
w(r65) - &
w(r83) - &
w(r84f) + &
w(r84f) + &
w(r136) - &
w(r58b) - &
w(r59b) - &
w(r84b) + &
w(r84b)
!cdot(sHCO) = 0.0_pr
!cdot(sCH2DXCH2) = 0.0_pr
cdot(sCO) = 0.0_pr + &
w(r33) + &
w(r36) - &
w(r56) - &
w(r57f) + &
w(r57f) - &
w(r58f) - &
w(r59f) - &
w(r60f) - &
w(r61) + &
w(r62f) + &
w(r63) + &
w(r64) + &
w(r66) + &
w(r67) + &
w(r68f) + &
w(r69) + &
w(r72) + &
w(r83) + &
w(r87f) + &
w(r88) + &
w(r97) + &
w(r109) + &
w(r125) + &
w(r126f) + 2.000000000_pr * &
w(r127) + 2.000000000_pr * &
w(r129) + &
w(r131f) + &
w(r137) + &
w(r140) + &
w(r145) + &
w(r178) + 2.000000000_pr * &
w(r179) - &
w(r57b) + &
w(r57b) + &
w(r58b) + &
w(r59b) + &
w(r60b) - &
w(r62b) - &
w(r68b) - &
w(r87b) - &
w(r126b) - &
w(r131b)
cdot(sCH3) = 0.0_pr + &
w(r35f) - &
w(r37) - 2.000000000_pr * &
w(r38) - &
w(r39) - &
w(r40f) - &
w(r41f) - &
w(r42) - 2.000000000_pr * &
w(r43f) - 2.000000000_pr * &
w(r44f) - &
w(r45) - &
w(r46) - &
w(r47f) - &
w(r48f) - &
w(r49) - &
w(r50f) - &
w(r51f) + &
w(r52f) + &
w(r53f) + 2.000000000_pr * &
w(r54f) + &
w(r55f) - &
w(r69) - &
w(r77) + &
w(r80f) - &
w(r89) + &
w(r97) - &
w(r100f) - &
w(r102f) + &
w(r105) - &
w(r106f) + &
w(r116) + &
w(r118) - &
w(r120) + &
w(r124) - &
w(r125) + &
w(r131f) + &
w(r140) + &
w(r143) + &
w(r146) - &
w(r147) + &
w(r151) - &
w(r152) - &
w(r156) + &
w(r157) + &
w(r159f) + &
w(r164f) + 2.000000000_pr * &
w(r165) + &
w(r172f) - &
w(r175f) + &
w(r181f) + &
w(r185f)
cdot(sCH3) = cdot(sCH3) - &
w(r187) + 0.600000000_pr * &
w(r193) + 0.600000000_pr * &
w(r194) + 0.600000000_pr * &
w(r195) - &
w(r196) + 0.600000000_pr * &
w(r196) + 0.600000000_pr * &
w(r197) + &
w(r198) - &
w(r35b) + &
w(r40b) + &
w(r41b) + 2.000000000_pr * &
w(r43b) + 2.000000000_pr * &
w(r44b) + &
w(r47b) + &
w(r48b) + &
w(r50b) + &
w(r51b) - &
w(r52b) - &
w(r53b) - 2.000000000_pr * &
w(r54b) - &
w(r55b) - &
w(r80b) + &
w(r100b) + &
w(r102b) + &
w(r106b) - &
w(r131b) - &
w(r159b) - &
w(r164b) - &
w(r172b) + &
w(r175b) - &
w(r181b) - &
w(r185b)
!cdot(sCH3O) = 0.0_pr
cdot(sCH4) = 0.0_pr + &
w(r38) + &
w(r42) + &
w(r47f) + &
w(r50f) - &
w(r52f) - &
w(r53f) - &
w(r54f) - &
w(r55f) + &
w(r69) + &
w(r77) + &
w(r89) + &
w(r106f) + &
w(r120) + &
w(r147) + &
w(r156) - &
w(r172f) + &
w(r187) + 0.050000000_pr * &
w(r193) + 0.050000000_pr * &
w(r194) + 0.050000000_pr * &
w(r195) + 1.050000000_pr * &
w(r196) + 0.050000000_pr * &
w(r197) - &
w(r47b) - &
w(r50b) + &
w(r52b) + &
w(r53b) + &
w(r54b) + &
w(r55b) - &
w(r106b) + &
w(r172b)
cdot(sC2H4) = 0.0_pr + &
w(r39) + &
w(r49) + &
w(r90f) - &
w(r103f) - &
w(r104f) - &
w(r105) - &
w(r106f) - &
w(r107f) - &
w(r108f) - &
w(r109) - &
w(r110) - &
w(r111f) - &
w(r112f) + &
w(r114) + &
w(r115f) + &
w(r119) + &
w(r125) + &
w(r145) + &
w(r159f) + 2.830833300_pr * &
w(r193) + 2.830833300_pr * &
w(r194) + 2.830833300_pr * &
w(r195) + 2.830833300_pr * &
w(r196) + 2.830833300_pr * &
w(r197) + 2.950000000_pr * &
w(r198) - &
w(r90b) + &
w(r103b) + &
w(r104b) + &
w(r106b) + &
w(r107b) + &
w(r108b) + &
w(r111b) + &
w(r112b) - &
w(r115b) - &
w(r159b)
cdot(sC2H6) = 0.0_pr + &
w(r43f) + &
w(r113) + &
w(r117) - &
w(r120) - &
w(r121) - &
w(r122) - &
w(r123f) - &
w(r124) - &
w(r43b) + &
w(r123b)
!cdot(sC2H5) = 0.0_pr
cdot(sCH2CO) = 0.0_pr + &
w(r60f) + &
w(r86) + &
w(r92) - &
w(r131f) - &
w(r132f) - &
w(r133f) - &
w(r134) - &
w(r135f) - &
w(r136) + &
w(r138f) + &
w(r139) + &
w(r141) + &
w(r142) + &
w(r157) + &
w(r165) + &
w(r179) - &
w(r60b) + &
w(r131b) + &
w(r132b) + &
w(r133b) + &
w(r135b) - &
w(r138b)
cdot(sC2H2) = 0.0_pr - &
w(r85f) - &
w(r86) - &
w(r87f) - &
w(r88) + &
w(r89) + &
w(r91) + &
w(r93) + &
w(r95f) + &
w(r99) + &
w(r146) + &
w(r151) + &
w(r166f) + &
w(r179) + &
w(r85b) + &
w(r87b) - &
w(r95b) - &
w(r166b)
!cdot(sHCCO) = 0.0_pr
!cdot(sC2H3) = 0.0_pr
!cdot(sCH2CHO) = 0.0_pr
!cdot(sAXC3H5) = 0.0_pr
cdot(sC3H6) = 0.0_pr + &
w(r102f) + &
w(r149f) + &
w(r155f) - &
w(r156) - &
w(r157) - &
w(r158) - &
w(r159f) - &
w(r160) - &
w(r161) - &
w(r162) - &
w(r163) + &
w(r164f) + 0.486166700_pr * &
w(r193) + 0.486166700_pr * &
w(r194) + 0.486166700_pr * &
w(r195) + 0.486166700_pr * &
w(r196) + 0.486166700_pr * &
w(r197) + 0.390000000_pr * &
w(r198) - &
w(r102b) - &
w(r149b) - &
w(r155b) + &
w(r159b) - &
w(r164b)
cdot(sAXC3H4) = 0.0_pr - &
w(r144f) - &
w(r145) - &
w(r146) + &
w(r147) + &
w(r150) + &
w(r154) + &
w(r144b)
cdot(sIXC4H8) = 0.0_pr - &
w(r164f) - &
w(r165) + 0.243083300_pr * &
w(r193) + 0.243083300_pr * &
w(r194) + 0.243083300_pr * &
w(r195) + 0.243083300_pr * &
w(r196) + 0.243083300_pr * &
w(r197) + 0.195000000_pr * &
w(r198) + &
w(r164b)
cdot(sC5H6) = 0.0_pr - &
w(r166f) + &
w(r178) + &
w(r166b)
!cdot(sC6H5) = 0.0_pr
cdot(sC6H5O) = 0.0_pr + &
w(r167f) + &
w(r168f) + &
w(r173) + &
w(r177) - &
w(r178) - &
w(r167b) - &
w(r168b)
cdot(sC6H4O2) = 0.0_pr + &
w(r169) - &
w(r179)
cdot(sC6H6) = 0.0_pr + &
w(r170f) + &
w(r171) + &
w(r172f) + &
w(r174) - &
w(r176f) - &
w(r177) + &
w(r185f) + &
w(r189) + &
w(r192) + 0.192500000_pr * &
w(r193) + 0.192500000_pr * &
w(r194) + 0.192500000_pr * &
w(r195) + 0.192500000_pr * &
w(r196) + 0.192500000_pr * &
w(r197) + 0.183333300_pr * &
w(r198) - &
w(r170b) - &
w(r172b) + &
w(r176b) - &
w(r185b)
cdot(sC6H5CH3) = 0.0_pr + &
w(r175f) + &
w(r182f) - &
w(r184) - &
w(r185f) - &
w(r186f) - &
w(r187) - &
w(r188f) - &
w(r189) - &
w(r190) + 0.157500000_pr * &
w(r193) + 0.157500000_pr * &
w(r194) + 0.157500000_pr * &
w(r195) + 0.157500000_pr * &
w(r196) + 0.157500000_pr * &
w(r197) + 0.150000000_pr * &
w(r198) - &
w(r175b) - &
w(r182b) + &
w(r185b) + &
w(r186b) + &
w(r188b)
!cdot(sC6H5CH2) = 0.0_pr
!cdot(sC6H5CHO) = 0.0_pr
cdot(sPOSF10325XC11H22) = 0.0_pr - &
w(r193) - &
w(r194) - &
w(r195) - &
w(r196) - &
w(r197) - &
w(r198)
end subroutine get_production_rates
! --- Actual reactions --- !
subroutine reaction_expressions
implicit none
reacexp(1) = '2.000000000 H + M1 -> H2 + M1'
reacexp(2) = 'O + H2 -> H + OH'
reacexp(3) = 'O + H + M3 -> OH + M3'
reacexp(4) = 'OH + H2 -> H + H2O'
reacexp(5) = '2.000000000 OH -> O + H2O'
reacexp(6) = 'H + OH + M2 -> H2O + M2'
reacexp(7) = '2.000000000 OH + M6 -> H2O2 + M6'
reacexp(8) = 'H + O2 + M5 -> HO2 + M5'
reacexp(9) = 'H2 + O2 -> HO2 + H'
reacexp(10) = 'H + O2 -> O + OH'
reacexp(11) = 'OH + HO2 -> H2O + O2'
reacexp(12) = 'HO2 + O -> OH + O2'
reacexp(13) = 'OH + HO2 -> H2O + O2'
reacexp(14) = 'OH + HO2 -> H2O + O2'
reacexp(15) = '2.000000000 HO2 -> O2 + H2O2'
reacexp(16) = 'HO2 + H -> 2.000000000 OH'
reacexp(17) = 'HO2 + H -> O + H2O'
reacexp(18) = 'OH + HO2 -> H2O + O2'
reacexp(19) = 'OH + HO2 -> H2O + O2'
reacexp(20) = '2.000000000 HO2 -> O2 + H2O2'
reacexp(21) = 'H2O2 + O -> OH + HO2'
reacexp(22) = 'H2O2 + OH -> HO2 + H2O'
reacexp(23) = 'H2O2 + H -> HO2 + H2'
reacexp(24) = 'H2O2 + H -> OH + H2O'
reacexp(25) = 'H2O2 + OH -> HO2 + H2O'
reacexp(26) = 'CH2 + HO2 -> CH2O + OH'
reacexp(27) = 'CH2 + O2 -> CO2 + 2.000000000 H'
reacexp(28) = 'CH2 + O2 -> HCO + OH'
reacexp(29) = 'CH2 + OH -> CH2O + H'
reacexp(30) = 'CH2 + O -> HCO + H'
reacexp(31) = 'CH2D-CH2 + H2O -> CH2 + H2O'
reacexp(32) = 'CH2D-CH2 + O -> HCO + H'
reacexp(33) = 'CH2D-CH2 + O2 -> CO + H2O'
reacexp(34) = 'CH2D-CH2 + OH -> CH2O + H'
reacexp(35) = 'CH2D-CH2 + H2 -> CH3 + H'
reacexp(36) = 'CH2D-CH2 + O2 -> H + OH + CO'
reacexp(37) = 'CH3 + HO2 -> CH3O + OH'
reacexp(38) = '2.000000000 CH3 -> CH2 + CH4'
reacexp(39) = 'CH3 + CH2 -> C2H4 + H'
reacexp(40) = 'CH3 + O -> CH2O + H'
reacexp(41) = 'CH3 + OH -> CH2 + H2O'
reacexp(42) = 'CH3 + HO2 -> CH4 + O2'
reacexp(43) = '2.000000000 CH3 + M19 -> C2H6 + M19'
reacexp(44) = '2.000000000 CH3 -> H + C2H5'
reacexp(45) = 'CH3 + H -> H2 + CH2'
reacexp(46) = 'CH3 + O2 -> OH + CH2O'
reacexp(47) = 'CH3 + H + M17 -> CH4 + M17'
reacexp(48) = 'CH3 + O2 -> O + CH3O'
reacexp(49) = 'CH3 + CH2D-CH2 -> C2H4 + H'
reacexp(50) = 'CH3 + H2O2 -> CH4 + HO2'
reacexp(51) = 'CH3 + OH -> CH2D-CH2 + H2O'
reacexp(52) = 'CH4 + H -> CH3 + H2'
reacexp(53) = 'CH4 + O -> CH3 + OH'
reacexp(54) = 'CH4 + CH2D-CH2 -> 2.000000000 CH3'
reacexp(55) = 'CH4 + OH -> CH3 + H2O'
reacexp(56) = 'CO + HO2 -> CO2 + OH'
reacexp(57) = 'CH2D-CH2 + CO -> CH2 + CO'
reacexp(58) = 'CO + OH -> CO2 + H'
reacexp(59) = 'CO + OH -> CO2 + H'
reacexp(60) = 'CH2 + CO + M13 -> CH2CO + M13'
reacexp(61) = 'CO + O + M7 -> CO2 + M7'
reacexp(62) = 'HCO + M8 -> CO + H + M8'
reacexp(63) = 'HCO + OH -> CO + H2O'
reacexp(64) = 'HCO + H -> CO + H2'
reacexp(65) = 'HCO + O -> CO2 + H'
reacexp(66) = 'HCO + O2 -> CO + HO2'
reacexp(67) = 'HCO + O -> CO + OH'
reacexp(68) = 'HCO + H2O -> CO + H + H2O'
reacexp(69) = 'CH3 + HCO -> CH4 + CO'
reacexp(70) = 'CH2O + HO2 -> HCO + H2O2'
reacexp(71) = 'CH2O + H -> HCO + H2'
reacexp(72) = 'CH2O + M9 -> H2 + CO + M9'
reacexp(73) = 'CH2O + O -> HCO + OH'
reacexp(74) = 'CH2O + M11 -> H + HCO + M11'
reacexp(75) = 'CH2O + OH -> HCO + H2O'
reacexp(76) = 'CH2O + O2 -> HCO + HO2'
reacexp(77) = 'CH3 + CH2O -> CH4 + HCO'
reacexp(78) = 'CH3O + H -> CH2O + H2'
reacexp(79) = 'CH3O + M16 -> H + CH2O + M16'
reacexp(80) = 'CH3O + H -> CH3 + OH'
reacexp(81) = 'CH3O + H -> CH2D-CH2 + H2O'
reacexp(82) = 'CH3O + O2 -> CH2O + HO2'
reacexp(83) = 'CH2D-CH2 + CO2 -> CH2O + CO'
reacexp(84) = 'CH2D-CH2 + CO2 -> CH2 + CO2'
reacexp(85) = 'C2H2 + O -> HCCO + H'
reacexp(86) = 'C2H2 + OH -> CH2CO + H'
reacexp(87) = 'C2H2 + HCO -> C2H3 + CO'
reacexp(88) = 'C2H2 + O -> CH2 + CO'
reacexp(89) = 'C2H3 + CH3 -> C2H2 + CH4'
reacexp(90) = 'C2H3 + H + M29 -> C2H4 + M29'
reacexp(91) = 'C2H3 + O2 -> C2H2 + HO2'
reacexp(92) = 'C2H3 + O -> CH2CO + H'
reacexp(93) = 'C2H3 + H -> C2H2 + H2'
reacexp(94) = 'C2H3 + O2 -> HCO + CH2O'
reacexp(95) = 'C2H3 + M24 -> C2H2 + H + M24'
reacexp(96) = 'C2H3 + HO2 -> CH2CHO + OH'
reacexp(97) = 'C2H3 + O -> CH3 + CO'
reacexp(98) = 'C2H3 + OH -> C2H2 + H2O'
reacexp(99) = 'C2H3 + CH3 -> A-C3H5 + H'
reacexp(100) = 'C2H3 + O2 -> CH2CHO + O'
reacexp(101) = 'C2H3 + CH3 + M30 -> C3H6 + M30'
reacexp(102) = 'C2H4 + O -> C2H3 + OH'
reacexp(103) = 'C2H4 + CH2D-CH2 -> A-C3H5 + H'
reacexp(104) = 'C2H4 + O -> CH3 + HCO'
reacexp(105) = 'C2H4 + CH3 -> C2H3 + CH4'
reacexp(106) = 'C2H4 + H -> C2H3 + H2'
reacexp(107) = 'C2H4 + OH -> C2H3 + H2O'
reacexp(108) = 'C2H4 + HCO -> C2H5 + CO'
reacexp(109) = 'C2H4 + O -> CH2 + CH2O'
reacexp(110) = 'C2H4 + H + M36 -> C2H5 + M36'
reacexp(111) = 'C2H4 + CH2 -> A-C3H5 + H'
reacexp(112) = 'C2H5 + H + M37 -> C2H6 + M37'
reacexp(113) = 'C2H5 + H -> C2H4 + H2'
reacexp(114) = 'C2H5 + O2 -> C2H4 + HO2'
reacexp(115) = 'C2H5 + HO2 -> CH3 + CH2O + OH'
reacexp(116) = 'C2H5 + HO2 -> C2H6 + O2'
reacexp(117) = 'C2H5 + O -> CH3 + CH2O'
reacexp(118) = 'C2H5 + HO2 -> C2H4 + H2O2'
reacexp(119) = 'C2H6 + CH3 -> C2H5 + CH4'
reacexp(120) = 'C2H6 + O -> C2H5 + OH'
reacexp(121) = 'C2H6 + OH -> C2H5 + H2O'
reacexp(122) = 'C2H6 + H -> C2H5 + H2'
reacexp(123) = 'C2H6 + CH2D-CH2 -> C2H5 + CH3'
reacexp(124) = 'CH3 + HCCO -> C2H4 + CO'
reacexp(125) = 'HCCO + H -> CH2D-CH2 + CO'
reacexp(126) = 'HCCO + O2 -> OH + 2.000000000 CO'
reacexp(127) = 'HCCO + O -> H + 2.000000000 CO'
reacexp(128) = 'CH2CO + H -> CH3 + CO'
reacexp(129) = 'CH2CO + H + M28 -> CH2CHO + M28'
reacexp(130) = 'CH2CO + H -> HCCO + H2'
reacexp(131) = 'CH2CO + O -> HCCO + OH'
reacexp(132) = 'CH2CO + OH -> HCCO + H2O'
reacexp(133) = 'CH2CO + O -> CH2 + CO2'
reacexp(134) = 'CH2CHO + O2 -> CH2O + CO + OH'
reacexp(135) = 'CH2CHO + O2 -> CH2CO + HO2'
reacexp(136) = 'CH2CHO + H -> CH2CO + H2'
reacexp(137) = 'CH2CHO -> CH3 + CO'
reacexp(138) = 'CH2CHO + O -> CH2CO + OH'
reacexp(139) = 'CH2CHO + OH -> CH2CO + H2O'
reacexp(140) = 'CH2CHO + H -> CH3 + HCO'
reacexp(141) = 'A-C3H4 + H -> A-C3H5'
reacexp(142) = 'A-C3H4 + O -> C2H4 + CO'
reacexp(143) = 'H + A-C3H4 -> CH3 + C2H2'
reacexp(144) = 'A-C3H5 + CH3 -> A-C3H4 + CH4'
reacexp(145) = 'A-C3H5 + HO2 -> OH + C2H3 + CH2O'
reacexp(146) = 'A-C3H5 + H + M41 -> C3H6 + M41'
reacexp(147) = 'A-C3H5 + H -> A-C3H4 + H2'
reacexp(148) = 'A-C3H5 -> CH3 + C2H2'
reacexp(149) = 'CH3 + A-C3H5 -> C2H3 + C2H5'
reacexp(150) = 'A-C3H5 + OH -> A-C3H4 + H2O'
reacexp(151) = 'A-C3H5 + HO2 -> C3H6 + O2'
reacexp(152) = 'C3H6 + CH3 -> A-C3H5 + CH4'
reacexp(153) = 'C3H6 + O -> CH2CO + CH3 + H'
reacexp(154) = 'C3H6 + HO2 -> A-C3H5 + H2O2'
reacexp(155) = 'C3H6 + H -> C2H4 + CH3'
reacexp(156) = 'C3H6 + OH -> A-C3H5 + H2O'
reacexp(157) = 'C3H6 + H -> A-C3H5 + H2'
reacexp(158) = 'C3H6 + O -> A-C3H5 + OH'
reacexp(159) = 'C3H6 + O -> C2H5 + HCO'
reacexp(160) = 'I-C4H8 + H -> C3H6 + CH3'
reacexp(161) = 'I-C4H8 + O -> 2.000000000 CH3 + CH2CO'
reacexp(162) = 'C5H6 + H -> C2H2 + A-C3H5'
reacexp(163) = 'C6H5 + OH -> C6H5O + H'
reacexp(164) = 'C6H5 + O2 -> C6H5O + O'
reacexp(165) = 'C6H5 + O2 -> C6H4O2 + H'
reacexp(166) = 'C6H5 + H2 -> C6H6 + H'
reacexp(167) = 'C6H5 + CH2O -> C6H6 + HCO'
reacexp(168) = 'C6H5 + CH4 -> C6H6 + CH3'
reacexp(169) = 'C6H5 + HO2 -> C6H5O + OH'
reacexp(170) = 'C6H5 + H + M65 -> C6H6 + M65'
reacexp(171) = 'C6H5 + CH3 -> C6H5CH3'
reacexp(172) = 'C6H6 + OH -> C6H5 + H2O'
reacexp(173) = 'C6H6 + O -> C6H5O + H'
reacexp(174) = 'C6H5O + H -> C5H6 + CO'
reacexp(175) = 'C6H4O2 + O -> 2.000000000 CO + C2H2 + CH2CO'
reacexp(176) = 'C6H5CH2 + O -> C6H5CHO + H'
reacexp(177) = 'C6H5CH2 + H -> C6H5 + CH3'
reacexp(178) = 'C6H5CH2 + H + M63 -> C6H5CH3 + M63'
reacexp(179) = 'C6H5CH2 + HO2 -> C6H5CHO + H + OH'
reacexp(180) = 'C6H5CH3 + HO2 -> C6H5CH2 + H2O2'
reacexp(181) = 'C6H5CH3 + H -> C6H6 + CH3'
reacexp(182) = 'C6H5CH3 + O2 -> C6H5CH2 + HO2'
reacexp(183) = 'C6H5CH3 + CH3 -> C6H5CH2 + CH4'
reacexp(184) = 'C6H5CH3 + H -> C6H5CH2 + H2'
reacexp(185) = 'C6H5CH3 + C6H5 -> C6H5CH2 + C6H6'
reacexp(186) = 'C6H5CH3 + OH -> C6H5CH2 + H2O'
reacexp(187) = 'C6H5CHO -> HCO + C6H5'
reacexp(188) = 'C6H5CHO + H -> C6H6 + HCO'
reacexp(189) = 'POSF10325-C11H22 + O2 -> HO2 + 0.050000000 CH4 &
+ 2.830833300 C2H4 + 0.486166700 C3H6 + 0.243083300 I-C4H8 &
+ 0.192500000 C6H6 + 0.157500000 C6H5CH3 + 0.400000000 H &
+ 0.600000000 CH3'
reacexp(190) = 'POSF10325-C11H22 + HO2 -> H2O2 &
+ 0.050000000 CH4 + 2.830833300 C2H4 + 0.486166700 C3H6 &
+ 0.243083300 I-C4H8 + 0.192500000 C6H6 &
+ 0.157500000 C6H5CH3 + 0.400000000 H + 0.600000000 CH3'
reacexp(191) = 'POSF10325-C11H22 + OH -> H2O &
+ 0.050000000 CH4 + 2.830833300 C2H4 + 0.486166700 C3H6 &
+ 0.243083300 I-C4H8 + 0.192500000 C6H6 &
+ 0.157500000 C6H5CH3 + 0.400000000 H + 0.600000000 CH3'
reacexp(192) = 'POSF10325-C11H22 + CH3 -> 1.050000000 CH4 &
+ 2.830833300 C2H4 + 0.486166700 C3H6 &
+ 0.243083300 I-C4H8 + 0.192500000 C6H6 &
+ 0.157500000 C6H5CH3 + 0.400000000 H + 0.600000000 CH3'
reacexp(193) = 'POSF10325-C11H22 + H -> H2 &
+ 0.050000000 CH4 + 2.830833300 C2H4 + 0.486166700 C3H6 &
+ 0.243083300 I-C4H8 + 0.192500000 C6H6 &
+ 0.157500000 C6H5CH3 + 0.400000000 H + 0.600000000 CH3'
reacexp(194) = 'POSF10325-C11H22 -> 2.950000000 C2H4 &
+ 0.390000000 C3H6 + 0.195000000 I-C4H8 &
+ 0.183333300 C6H6 + 0.150000000 C6H5CH3 + H + CH3'
reacexp(195) = 'CH2D-CH2 + N2 -> CH2 + N2'
reacexp(196) = 'Reverse of O + H2 -> H + OH'
reacexp(197) = 'Reverse of OH + H2 -> H + H2O'
reacexp(198) = 'Reverse of 2.000000000 OH -> O + H2O'
reacexp(199) = 'Reverse of H + OH + M2 -> H2O + M2'
reacexp(200) = 'Reverse of 2.000000000 OH + M6 -> H2O2 + M6'
reacexp(201) = 'Reverse of H + O2 + M5 -> HO2 + M5'
reacexp(202) = 'Reverse of H2 + O2 -> HO2 + H'
reacexp(203) = 'Reverse of H + O2 -> O + OH'
reacexp(204) = 'Reverse of OH + HO2 -> H2O + O2'
reacexp(205) = 'Reverse of H2O2 + H -> HO2 + H2'
reacexp(206) = 'Reverse of H2O2 + OH -> HO2 + H2O'
reacexp(207) = 'Reverse of CH2D-CH2 + H2O -> CH2 + H2O'
reacexp(208) = 'Reverse of CH2D-CH2 + H2 -> CH3 + H'
reacexp(209) = 'Reverse of CH3 + O -> CH2O + H'
reacexp(210) = 'Reverse of CH3 + OH -> CH2 + H2O'
reacexp(211) = 'Reverse of 2.000000000 CH3 + M19 -> C2H6 + M19'
reacexp(212) = 'Reverse of 2.000000000 CH3 -> H + C2H5'
reacexp(213) = 'Reverse of CH3 + H + M17 -> CH4 + M17'
reacexp(214) = 'Reverse of CH3 + O2 -> O + CH3O'
reacexp(215) = 'Reverse of CH3 + H2O2 -> CH4 + HO2'
reacexp(216) = 'Reverse of CH3 + OH -> CH2D-CH2 + H2O'
reacexp(217) = 'Reverse of CH4 + H -> CH3 + H2'
reacexp(218) = 'Reverse of CH4 + O -> CH3 + OH'
reacexp(219) = 'Reverse of CH4 + CH2D-CH2 -> 2.000000000 CH3'
reacexp(220) = 'Reverse of CH4 + OH -> CH3 + H2O'
reacexp(221) = 'Reverse of CH2D-CH2 + CO -> CH2 + CO'
reacexp(222) = 'Reverse of CO + OH -> CO2 + H'
reacexp(223) = 'Reverse of CO + OH -> CO2 + H'
reacexp(224) = 'Reverse of CH2 + CO + M13 -> CH2CO + M13'
reacexp(225) = 'Reverse of HCO + M8 -> CO + H + M8'
reacexp(226) = 'Reverse of HCO + H2O -> CO + H + H2O'
reacexp(227) = 'Reverse of CH2O + OH -> HCO + H2O'
reacexp(228) = 'Reverse of CH3O + H -> CH3 + OH'
reacexp(229) = 'Reverse of CH2D-CH2 + CO2 -> CH2 + CO2'
reacexp(230) = 'Reverse of C2H2 + O -> HCCO + H'
reacexp(231) = 'Reverse of C2H2 + HCO -> C2H3 + CO'
reacexp(232) = 'Reverse of C2H3 + H + M29 -> C2H4 + M29'
reacexp(233) = 'Reverse of C2H3 + M24 -> C2H2 + H + M24'
reacexp(234) = 'Reverse of C2H3 + CH3 -> A-C3H5 + H'
reacexp(235) = 'Reverse of C2H3 + CH3 + M30 -> C3H6 + M30'
reacexp(236) = 'Reverse of C2H4 + O -> C2H3 + OH'
reacexp(237) = 'Reverse of C2H4 + CH2D-CH2 -> A-C3H5 + H'
reacexp(238) = 'Reverse of C2H4 + CH3 -> C2H3 + CH4'
reacexp(239) = 'Reverse of C2H4 + H -> C2H3 + H2'
reacexp(240) = 'Reverse of C2H4 + OH -> C2H3 + H2O'
reacexp(241) = 'Reverse of C2H4 + H + M36 -> C2H5 + M36'
reacexp(242) = 'Reverse of C2H4 + CH2 -> A-C3H5 + H'
reacexp(243) = 'Reverse of C2H5 + O2 -> C2H4 + HO2'
reacexp(244) = 'Reverse of C2H6 + H -> C2H5 + H2'
reacexp(245) = 'Reverse of HCCO + H -> CH2D-CH2 + CO'
reacexp(246) = 'Reverse of CH2CO + H -> CH3 + CO'
reacexp(247) = 'Reverse of CH2CO + H + M28 -> CH2CHO + M28'
reacexp(248) = 'Reverse of CH2CO + H -> HCCO + H2'
reacexp(249) = 'Reverse of CH2CO + OH -> HCCO + H2O'
reacexp(250) = 'Reverse of CH2CHO + O2 -> CH2CO + HO2'
reacexp(251) = 'Reverse of A-C3H4 + H -> A-C3H5'
reacexp(252) = 'Reverse of A-C3H5 + H + M41 -> C3H6 + M41'
reacexp(253) = 'Reverse of A-C3H5 + HO2 -> C3H6 + O2'
reacexp(254) = 'Reverse of C3H6 + H -> C2H4 + CH3'
reacexp(255) = 'Reverse of I-C4H8 + H -> C3H6 + CH3'
reacexp(256) = 'Reverse of C5H6 + H -> C2H2 + A-C3H5'
reacexp(257) = 'Reverse of C6H5 + OH -> C6H5O + H'
reacexp(258) = 'Reverse of C6H5 + O2 -> C6H5O + O'
reacexp(259) = 'Reverse of C6H5 + H2 -> C6H6 + H'
reacexp(260) = 'Reverse of C6H5 + CH4 -> C6H6 + CH3'
reacexp(261) = 'Reverse of C6H5 + CH3 -> C6H5CH3'
reacexp(262) = 'Reverse of C6H6 + OH -> C6H5 + H2O'
reacexp(263) = 'Reverse of C6H5CH2 + H -> C6H5 + CH3'
reacexp(264) = 'Reverse of C6H5CH2 + H + M63 -> C6H5CH3 + M63'
reacexp(265) = 'Reverse of C6H5CH3 + H -> C6H6 + CH3'
reacexp(266) = 'Reverse of C6H5CH3 + O2 -> C6H5CH2 + HO2'
reacexp(267) = 'Reverse of C6H5CH3 + H -> C6H5CH2 + H2'
reacexp(268) = 'Reverse of CH2D-CH2 + N2 -> CH2 + N2'
end subroutine reaction_expressions
! --- Forward/Backward link --- !
subroutine reverse_reactions
implicit none
fofb = 0
! Attach corresponding forward reaction to each backward reaction
fofb(196) = 2
fofb(197) = 4
fofb(198) = 5
fofb(199) = 6
fofb(200) = 7
fofb(201) = 8
fofb(202) = 9
fofb(203) = 10
fofb(204) = 14
fofb(205) = 23
fofb(206) = 25
fofb(207) = 31
fofb(208) = 35
fofb(209) = 40
fofb(210) = 41
fofb(211) = 43
fofb(212) = 44
fofb(213) = 47
fofb(214) = 48
fofb(215) = 50
fofb(216) = 51
fofb(217) = 52
fofb(218) = 53
fofb(219) = 54
fofb(220) = 55
fofb(221) = 57
fofb(222) = 58
fofb(223) = 59
fofb(224) = 60
fofb(225) = 62
fofb(226) = 68
fofb(227) = 75
fofb(228) = 80
fofb(229) = 84
fofb(230) = 85
fofb(231) = 87
fofb(232) = 90
fofb(233) = 95
fofb(234) = 99
fofb(235) = 101
fofb(236) = 102
fofb(237) = 103
fofb(238) = 105
fofb(239) = 106
fofb(240) = 107
fofb(241) = 110
fofb(242) = 111
fofb(243) = 114
fofb(244) = 122
fofb(245) = 125
fofb(246) = 128
fofb(247) = 129
fofb(248) = 130
fofb(249) = 132
fofb(250) = 135
fofb(251) = 141
fofb(252) = 146
fofb(253) = 151
fofb(254) = 155
fofb(255) = 160
fofb(256) = 162
fofb(257) = 163
fofb(258) = 164
fofb(259) = 166
fofb(260) = 168
fofb(261) = 171
fofb(262) = 172
fofb(263) = 177
fofb(264) = 178
fofb(265) = 181
fofb(266) = 182
fofb(267) = 184
fofb(268) = 195
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(23) :: M
real(pr) :: C6H5CH2_denom1 &
, C6H5CH2_ct1 &
, C6H5CH2_denom2 &
, C6H5CH2_ct2 &
, C6H5CH2_C6H5CHO &
, C6H5CH2_C6H5CHO_coeff
real(pr) :: AXC3H5_denom1 &
, AXC3H5_ct1 &
, AXC3H5_denom2 &
, AXC3H5_ct2 &
, AXC3H5_HCO &
, AXC3H5_HCCO &
, AXC3H5_C2H3 &
, AXC3H5_CH2CHO &
, AXC3H5_HCO_coeff &
, AXC3H5_HCCO_coeff &
, AXC3H5_C2H3_coeff &
, AXC3H5_CH2CHO_coeff
real(pr) :: CH2DXCH2_denom1 &
, CH2DXCH2_ct1 &
, CH2DXCH2_denom2 &
, CH2DXCH2_ct2 &
, CH2DXCH2_AXC3H5 &
, CH2DXCH2_HCO &
, CH2DXCH2_HCCO &
, CH2DXCH2_C2H3 &
, CH2DXCH2_CH2CHO &
, CH2DXCH2_AXC3H5_coeff &
, CH2DXCH2_HCO_coeff &
, CH2DXCH2_HCCO_coeff &
, CH2DXCH2_C2H3_coeff &
, CH2DXCH2_CH2CHO_coeff
real(pr) :: C6H5CHO_denom1 &
, C6H5CHO_ct1 &
, C6H5CHO_denom2 &
, C6H5CHO_ct2
real(pr) :: CH2CHO_denom1 &
, CH2CHO_ct1 &
, CH2CHO_denom2 &
, CH2CHO_ct2
real(pr) :: C2H3_denom1 &
, C2H3_ct1 &
, C2H3_denom2 &
, C2H3_ct2 &
, C2H3_CH2CHO &
, C2H3_CH2CHO_coeff
real(pr) :: CH2_denom1 &
, CH2_ct1 &
, CH2_denom2 &
, CH2_ct2 &
, CH2_CH2DXCH2 &
, CH2_AXC3H5 &
, CH2_HCO &
, CH2_HCCO &
, CH2_C2H3 &
, CH2_CH2CHO &
, CH2_CH2DXCH2_coeff &
, CH2_AXC3H5_coeff &
, CH2_HCO_coeff &
, CH2_HCCO_coeff &
, CH2_C2H3_coeff &
, CH2_CH2CHO_coeff
real(pr) :: C6H5_denom1 &
, C6H5_ct1 &
, C6H5_denom2 &
, C6H5_ct2 &
, C6H5_C6H5CH2 &
, C6H5_C6H5CHO &
, C6H5_C6H5CH2_coeff &
, C6H5_C6H5CHO_coeff
real(pr) :: HCCO_denom1 &
, HCCO_ct1 &
, HCCO_denom2 &
, HCCO_ct2 &
, HCCO_C2H3 &
, HCCO_CH2CHO &
, HCCO_C2H3_coeff &
, HCCO_CH2CHO_coeff
real(pr) :: HCO_denom1 &
, HCO_ct1 &
, HCO_denom2 &
, HCO_ct2 &
, HCO_HCCO &
, HCO_C2H3 &
, HCO_CH2CHO &
, HCO_HCCO_coeff &
, HCO_C2H3_coeff &
, HCO_CH2CHO_coeff
! cqss(sCH3O) (uncoupled) --------------------
cqss(sCH3O-nspec) = ( 0.0_pr &
+ k(r37) * c(sCH3) * c(sHO2) &
+ k(r48f) * c(sCH3) * c(sO2) &
+ k(r80b) * c(sOH) * c(sCH3) &
) / ( tiny(1.0_pr) + ( &
+ k(r48b) * c(sO) &
+ k(r78) * c(sH) &
+ k(r79) &
+ k(r80f) * c(sH) &
+ k(r81) * c(sH) &
+ k(r82) * c(sO2) &
) )
! c(sC6H5) c(sC6H5CH2) c(sC6H5CHO) (coupled) --------------------
! Primary denominators-----------------------
C6H5_denom1 = tiny(1.0_pr) + ( 0.0_pr &
+ k(r167f) * c(sOH) &
+ k(r168f) * c(sO2) &
+ k(r169) * c(sO2) &
+ k(r170f) * c(sH2) &
+ k(r171) * c(sCH2O) &
+ k(r172f) * c(sCH4) &
+ k(r173) * c(sHO2) &
+ k(r174) * c(sH) &
+ k(r175f) * c(sCH3) &
+ k(r176b) * c(sH2O) &
+ k(r181b) * c(sCH3) &
+ k(r189) * c(sC6H5CH3) &
)
C6H5CH2_denom1 = tiny(1.0_pr) + ( 0.0_pr &
+ k(r180) * c(sO) &
+ k(r181f) * c(sH) &
+ k(r182f) * c(sH) &
+ k(r183) * c(sHO2) &
+ k(r186b) * c(sHO2) &
+ k(r188b) * c(sH2) &
)
C6H5CHO_denom1 = tiny(1.0_pr) + ( 0.0_pr &
+ k(r191) &
+ k(r192) * c(sH) &
)
! Primary constant parts -----------------------
C6H5_ct1 = ( 0.0_pr &
+ k(r167b) * c(sH) * c(sC6H5O) &
+ k(r168b) * c(sO) * c(sC6H5O) &
+ k(r170b) * c(sH) * c(sC6H6) &
+ k(r172b) * c(sCH3) * c(sC6H6) &
+ k(r175b) * c(sC6H5CH3) &
+ k(r176f) * c(sC6H6) * c(sOH) &
)
C6H5CH2_ct1 = ( 0.0_pr &
+ k(r182b) * c(sC6H5CH3) &
+ k(r184) * c(sC6H5CH3) * c(sHO2) &
+ k(r186f) * c(sC6H5CH3) * c(sO2) &
+ k(r187) * c(sC6H5CH3) * c(sCH3) &
+ k(r188f) * c(sC6H5CH3) * c(sH) &
+ k(r190) * c(sC6H5CH3) * c(sOH) &
)
C6H5CHO_ct1 = ( 0.0_pr &
)
! C6H5 ---------------------------------------
C6H5_denom2 = tiny(1.0_pr) + ( C6H5_denom1 &
)
C6H5_ct2 = ( C6H5_ct1 &
) / C6H5_denom2
C6H5_C6H5CH2 = ( 0.0_pr &
+ k(r181f) * c(sH) &
) / C6H5_denom2
C6H5_C6H5CHO = ( 0.0_pr &
+ k(r191) &
) / C6H5_denom2
C6H5_C6H5CH2_coeff = ( 0.0_pr &
+ k(r181b) * c(sCH3) + &
k(r189) * c(sC6H5CH3) &
)
C6H5_C6H5CHO_coeff = ( 0.0_pr &
)
! C6H5CH2 ---------------------------------------
C6H5CH2_denom2 = tiny(1.0_pr) + ( C6H5CH2_denom1 &
- C6H5_C6H5CH2_coeff * C6H5_C6H5CH2 &
)
C6H5CH2_ct2 = ( C6H5CH2_ct1 &
+ C6H5_C6H5CH2_coeff * C6H5_ct2 &
) / C6H5CH2_denom2
C6H5CH2_C6H5CHO = ( 0.0_pr &
+ C6H5_C6H5CH2_coeff * C6H5_C6H5CHO &
) / C6H5CH2_denom2
C6H5CH2_C6H5CHO_coeff = ( 0.0_pr &
+ k(r180) * c(sO)+ &
k(r183) * c(sHO2) &
+ C6H5_C6H5CHO_coeff * C6H5_C6H5CH2 &
)
! C6H5CHO ---------------------------------------
C6H5CHO_denom2 = tiny(1.0_pr) + ( C6H5CHO_denom1 &
- C6H5_C6H5CHO_coeff * C6H5_C6H5CHO &
- C6H5CH2_C6H5CHO_coeff * C6H5CH2_C6H5CHO &
)
C6H5CHO_ct2 = ( C6H5CHO_ct1 &
+ C6H5_C6H5CHO_coeff * C6H5_ct2 &
+ C6H5CH2_C6H5CHO_coeff * C6H5CH2_ct2 &
) / C6H5CHO_denom2
! Reconstruction ------------------------------------
cqss(sC6H5CHO-nspec) = ( C6H5CHO_ct2 &
)
cqss(sC6H5CH2-nspec) = ( C6H5CH2_ct2 &
+ C6H5CH2_C6H5CHO * cqss(sC6H5CHO-nspec) &
)
cqss(sC6H5-nspec) = ( C6H5_ct2 &
+ C6H5_C6H5CH2 * cqss(sC6H5CH2-nspec) &
+ C6H5_C6H5CHO * cqss(sC6H5CHO-nspec) &
)
! c(sCH2) c(sCH2DXCH2) c(sAXC3H5) c(sHCO) c(sHCCO) c(sC2H3) c(sCH2CHO) (coupled) --------------------
! Primary denominators-----------------------
CH2_denom1 = tiny(1.0_pr) + ( 0.0_pr &
+ k(r26) * c(sHO2) &
+ k(r27) * c(sO2) &
+ k(r28) * c(sO2) &
+ k(r29) * c(sOH) &
+ k(r30) * c(sO) &
+ k(r31b) * c(sH2O) &
+ k(r39) * c(sCH3) &
+ k(r41b) * c(sH2O) &
+ k(r57b) * c(sCO) &
+ k(r60f) * c(sCO) &
+ k(r84b) * c(sCO2) &
+ k(r112f) * c(sC2H4) &
+ k(r199b) * c(sN2) &
)
CH2DXCH2_denom1 = tiny(1.0_pr) + ( 0.0_pr &
+ k(r31f) * c(sH2O) &
+ k(r32) * c(sO) &
+ k(r33) * c(sO2) &
+ k(r34) * c(sOH) &
+ k(r35f) * c(sH2) &
+ k(r36) * c(sO2) &
+ k(r49) * c(sCH3) &
+ k(r51b) * c(sH2O) &
+ k(r54f) * c(sCH4) &
+ k(r57f) * c(sCO) &
+ k(r83) * c(sCO2) &
+ k(r84f) * c(sCO2) &
+ k(r104f) * c(sC2H4) &
+ k(r124) * c(sC2H6) &
+ k(r126b) * c(sCO) &
+ k(r199f) * c(sN2) &
)
AXC3H5_denom1 = tiny(1.0_pr) + ( 0.0_pr &
+ k(r100b) * c(sH) &
+ k(r104b) * c(sH) &
+ k(r112b) * c(sH) &
+ k(r144b) &
+ k(r147) * c(sCH3) &
+ k(r148) * c(sHO2) &
+ k(r149f) * c(sH) &
+ k(r150) * c(sH) &
+ k(r151) &
+ k(r152) * c(sCH3) &
+ k(r154) * c(sOH) &
+ k(r155f) * c(sHO2) &
+ k(r166b) * c(sC2H2) &
)
HCO_denom1 = tiny(1.0_pr) + ( 0.0_pr &
+ k(r62f) * M(mM8) &
+ k(r63) * c(sOH) &
+ k(r64) * c(sH) &
+ k(r65) * c(sO) &
+ k(r66) * c(sO2) &
+ k(r67) * c(sO) &
+ k(r68f) * c(sH2O) &
+ k(r69) * c(sCH3) &
+ k(r75b) * c(sH2O) &
+ k(r87f) * c(sC2H2) &
+ k(r109) * c(sC2H4) &
)
HCCO_denom1 = tiny(1.0_pr) + ( 0.0_pr &
+ k(r85b) * c(sH) &
+ k(r125) * c(sCH3) &
+ k(r126f) * c(sH) &
+ k(r127) * c(sO2) &
+ k(r129) * c(sO) &
+ k(r133b) * c(sH2) &
+ k(r135b) * c(sH2O) &
)
C2H3_denom1 = tiny(1.0_pr) + ( 0.0_pr &
+ k(r87b) * c(sCO) &
+ k(r89) * c(sCH3) &
+ k(r90f) * c(sH) &
+ k(r91) * c(sO2) &
+ k(r92) * c(sO) &
+ k(r93) * c(sH) &
+ k(r94) * c(sO2) &
+ k(r95f) &
+ k(r96) * c(sHO2) &
+ k(r97) * c(sO) &
+ k(r99) * c(sOH) &
+ k(r100f) * c(sCH3) &
+ k(r101) * c(sO2) &
+ k(r102f) * c(sCH3) &
+ k(r103b) * c(sOH) &
+ k(r106b) * c(sCH4) &
+ k(r107b) * c(sH2) &
+ k(r108b) * c(sH2O) &
)
CH2CHO_denom1 = tiny(1.0_pr) + ( 0.0_pr &
+ k(r132b) &
+ k(r137) * c(sO2) &
+ k(r138f) * c(sO2) &
+ k(r139) * c(sH) &
+ k(r140) &
+ k(r141) * c(sO) &
+ k(r142) * c(sOH) &
+ k(r143) * c(sH) &
)
! Primary constant parts -----------------------
CH2_ct1 = ( 0.0_pr &
+ k(r38) * c(sCH3) * c(sCH3) &
+ k(r41f) * c(sCH3) * c(sOH) &
+ k(r45) * c(sCH3) * c(sH) &
+ k(r60b) * c(sCH2CO) &
+ k(r88) * c(sC2H2) * c(sO) &
+ k(r110) * c(sC2H4) * c(sO) &
+ k(r136) * c(sCH2CO) * c(sO) &
)
CH2DXCH2_ct1 = ( 0.0_pr &
+ k(r35b) * c(sH) * c(sCH3) &
+ k(r51f) * c(sCH3) * c(sOH) &
+ k(r54b) * c(sCH3) * c(sCH3) &
+ k(r81) * cqss(sCH3O-nspec) *c(sH) &
)
AXC3H5_ct1 = ( 0.0_pr &
+ k(r144f) * c(sAXC3H4) * c(sH) &
+ k(r149b) * c(sC3H6) &
+ k(r155b) * c(sO2) * c(sC3H6) &
+ k(r156) * c(sC3H6) * c(sCH3) &
+ k(r158) * c(sC3H6) * c(sHO2) &
+ k(r160) * c(sC3H6) * c(sOH) &
+ k(r161) * c(sC3H6) * c(sH) &
+ k(r162) * c(sC3H6) * c(sO) &
+ k(r166f) * c(sC5H6) * c(sH) &
)
HCO_ct1 = ( 0.0_pr &
+ k(r62b) * c(sH) * c(sCO) * M(mM8) &
+ k(r68b) * c(sH2O) * c(sH) * c(sCO) &
+ k(r70) * c(sCH2O) * c(sHO2) &
+ k(r71) * c(sCH2O) * c(sH) &
+ k(r73) * c(sCH2O) * c(sO) &
+ k(r74) * c(sCH2O) &
+ k(r75f) * c(sCH2O) * c(sOH) &
+ k(r76) * c(sCH2O) * c(sO2) &
+ k(r77) * c(sCH3) * c(sCH2O) &
+ k(r105) * c(sC2H4) * c(sO) &
+ k(r163) * c(sC3H6) * c(sO) &
+ k(r171) * cqss(sC6H5-nspec) *c(sCH2O) &
+ k(r191) * cqss(sC6H5CHO-nspec) &
+ k(r192) * cqss(sC6H5CHO-nspec) *c(sH) &
)
HCCO_ct1 = ( 0.0_pr &
+ k(r85f) * c(sC2H2) * c(sO) &
+ k(r133f) * c(sCH2CO) * c(sH) &
+ k(r134) * c(sCH2CO) * c(sO) &
+ k(r135f) * c(sCH2CO) * c(sOH) &
)
C2H3_ct1 = ( 0.0_pr &
+ k(r90b) * c(sC2H4) &
+ k(r95b) * c(sH) * c(sC2H2) &
+ k(r102b) * c(sC3H6) &
+ k(r103f) * c(sC2H4) * c(sO) &
+ k(r106f) * c(sC2H4) * c(sCH3) &
+ k(r107f) * c(sC2H4) * c(sH) &
+ k(r108f) * c(sC2H4) * c(sOH) &
)
CH2CHO_ct1 = ( 0.0_pr &
+ k(r132f) * c(sCH2CO) * c(sH) &
+ k(r138b) * c(sHO2) * c(sCH2CO) &
)
! CH2 ---------------------------------------
CH2_denom2 = tiny(1.0_pr) + ( CH2_denom1 &
)
CH2_ct2 = ( CH2_ct1 &
) / CH2_denom2
CH2_CH2DXCH2 = ( 0.0_pr &
+ k(r31f) * c(sH2O)+ &
k(r57f) * c(sCO)+ &
k(r84f) * c(sCO2)+ &
k(r199f) * c(sN2) &
) / CH2_denom2
CH2_AXC3H5 = ( 0.0_pr &
+ k(r112b) * c(sH) &
) / CH2_denom2
CH2_HCO = ( 0.0_pr &
) / CH2_denom2
CH2_HCCO = ( 0.0_pr &
) / CH2_denom2
CH2_C2H3 = ( 0.0_pr &
) / CH2_denom2
CH2_CH2CHO = ( 0.0_pr &
) / CH2_denom2
CH2_CH2DXCH2_coeff = ( 0.0_pr &
+ k(r31b) * c(sH2O) + &
k(r57b) * c(sCO) + &
k(r84b) * c(sCO2) + &
k(r199b) * c(sN2) &
)
CH2_AXC3H5_coeff = ( 0.0_pr &
+ k(r112f) * c(sC2H4) &
)
CH2_HCO_coeff = ( 0.0_pr &
+ k(r28) * c(sO2)+ &
k(r30) * c(sO) &
)
CH2_HCCO_coeff = ( 0.0_pr &
)
CH2_C2H3_coeff = ( 0.0_pr &
)
CH2_CH2CHO_coeff = ( 0.0_pr &
)
! CH2DXCH2 ---------------------------------------
CH2DXCH2_denom2 = tiny(1.0_pr) + ( CH2DXCH2_denom1 &
- CH2_CH2DXCH2_coeff * CH2_CH2DXCH2 &
)
CH2DXCH2_ct2 = ( CH2DXCH2_ct1 &
+ CH2_CH2DXCH2_coeff * CH2_ct2 &
) / CH2DXCH2_denom2
CH2DXCH2_AXC3H5 = ( 0.0_pr &
+ k(r104b) * c(sH) &
+ CH2_CH2DXCH2_coeff * CH2_AXC3H5 &
) / CH2DXCH2_denom2
CH2DXCH2_HCO = ( 0.0_pr &
+ CH2_CH2DXCH2_coeff * CH2_HCO &
) / CH2DXCH2_denom2
CH2DXCH2_HCCO = ( 0.0_pr &
+ k(r126f) * c(sH) &
+ CH2_CH2DXCH2_coeff * CH2_HCCO &
) / CH2DXCH2_denom2
CH2DXCH2_C2H3 = ( 0.0_pr &
+ CH2_CH2DXCH2_coeff * CH2_C2H3 &
) / CH2DXCH2_denom2
CH2DXCH2_CH2CHO = ( 0.0_pr &
+ CH2_CH2DXCH2_coeff * CH2_CH2CHO &
) / CH2DXCH2_denom2
CH2DXCH2_AXC3H5_coeff = ( 0.0_pr &
+ k(r104f) * c(sC2H4) &
+ CH2_AXC3H5_coeff * CH2_CH2DXCH2 &
)
CH2DXCH2_HCO_coeff = ( 0.0_pr &
+ k(r32) * c(sO) &
+ CH2_HCO_coeff * CH2_CH2DXCH2 &
)
CH2DXCH2_HCCO_coeff = ( 0.0_pr &
+ k(r126b) * c(sCO) &
+ CH2_HCCO_coeff * CH2_CH2DXCH2 &
)
CH2DXCH2_C2H3_coeff = ( 0.0_pr &
+ CH2_C2H3_coeff * CH2_CH2DXCH2 &
)
CH2DXCH2_CH2CHO_coeff = ( 0.0_pr &
+ CH2_CH2CHO_coeff * CH2_CH2DXCH2 &
)
! AXC3H5 ---------------------------------------
AXC3H5_denom2 = tiny(1.0_pr) + ( AXC3H5_denom1 &
- CH2_AXC3H5_coeff * CH2_AXC3H5 &
- CH2DXCH2_AXC3H5_coeff * CH2DXCH2_AXC3H5 &
)
AXC3H5_ct2 = ( AXC3H5_ct1 &
+ CH2_AXC3H5_coeff * CH2_ct2 &
+ CH2DXCH2_AXC3H5_coeff * CH2DXCH2_ct2 &
) / AXC3H5_denom2
AXC3H5_HCO = ( 0.0_pr &
+ CH2_AXC3H5_coeff * CH2_HCO &
+ CH2DXCH2_AXC3H5_coeff * CH2DXCH2_HCO &
) / AXC3H5_denom2
AXC3H5_HCCO = ( 0.0_pr &
+ CH2_AXC3H5_coeff * CH2_HCCO &
+ CH2DXCH2_AXC3H5_coeff * CH2DXCH2_HCCO &
) / AXC3H5_denom2
AXC3H5_C2H3 = ( 0.0_pr &
+ k(r100f) * c(sCH3) &
+ CH2_AXC3H5_coeff * CH2_C2H3 &
+ CH2DXCH2_AXC3H5_coeff * CH2DXCH2_C2H3 &
) / AXC3H5_denom2
AXC3H5_CH2CHO = ( 0.0_pr &
+ CH2_AXC3H5_coeff * CH2_CH2CHO &
+ CH2DXCH2_AXC3H5_coeff * CH2DXCH2_CH2CHO &
) / AXC3H5_denom2
AXC3H5_HCO_coeff = ( 0.0_pr &
+ CH2_HCO_coeff * CH2_AXC3H5 &
+ CH2DXCH2_HCO_coeff * CH2DXCH2_AXC3H5 &
)
AXC3H5_HCCO_coeff = ( 0.0_pr &
+ CH2_HCCO_coeff * CH2_AXC3H5 &
+ CH2DXCH2_HCCO_coeff * CH2DXCH2_AXC3H5 &
)
AXC3H5_C2H3_coeff = ( 0.0_pr &
+ k(r100b) * c(sH) + &
k(r148) * c(sHO2)+ &
k(r152) * c(sCH3) &
+ CH2_C2H3_coeff * CH2_AXC3H5 &
+ CH2DXCH2_C2H3_coeff * CH2DXCH2_AXC3H5 &
)
AXC3H5_CH2CHO_coeff = ( 0.0_pr &
+ CH2_CH2CHO_coeff * CH2_AXC3H5 &
+ CH2DXCH2_CH2CHO_coeff * CH2DXCH2_AXC3H5 &
)
! HCO ---------------------------------------
HCO_denom2 = tiny(1.0_pr) + ( HCO_denom1 &
- CH2_HCO_coeff * CH2_HCO &
- CH2DXCH2_HCO_coeff * CH2DXCH2_HCO &
- AXC3H5_HCO_coeff * AXC3H5_HCO &
)
HCO_ct2 = ( HCO_ct1 &
+ CH2_HCO_coeff * CH2_ct2 &
+ CH2DXCH2_HCO_coeff * CH2DXCH2_ct2 &
+ AXC3H5_HCO_coeff * AXC3H5_ct2 &
) / HCO_denom2
HCO_HCCO = ( 0.0_pr &
+ CH2_HCO_coeff * CH2_HCCO &
+ CH2DXCH2_HCO_coeff * CH2DXCH2_HCCO &
+ AXC3H5_HCO_coeff * AXC3H5_HCCO &
) / HCO_denom2
HCO_C2H3 = ( 0.0_pr &
+ k(r87b) * c(sCO) + &
k(r94) * c(sO2) &
+ CH2_HCO_coeff * CH2_C2H3 &
+ CH2DXCH2_HCO_coeff * CH2DXCH2_C2H3 &
+ AXC3H5_HCO_coeff * AXC3H5_C2H3 &
) / HCO_denom2
HCO_CH2CHO = ( 0.0_pr &
+ k(r143) * c(sH) &
+ CH2_HCO_coeff * CH2_CH2CHO &
+ CH2DXCH2_HCO_coeff * CH2DXCH2_CH2CHO &
+ AXC3H5_HCO_coeff * AXC3H5_CH2CHO &
) / HCO_denom2
HCO_HCCO_coeff = ( 0.0_pr &
+ CH2_HCCO_coeff * CH2_HCO &
+ CH2DXCH2_HCCO_coeff * CH2DXCH2_HCO &
+ AXC3H5_HCCO_coeff * AXC3H5_HCO &
)
HCO_C2H3_coeff = ( 0.0_pr &
+ k(r87f) * c(sC2H2) &
+ CH2_C2H3_coeff * CH2_HCO &
+ CH2DXCH2_C2H3_coeff * CH2DXCH2_HCO &
+ AXC3H5_C2H3_coeff * AXC3H5_HCO &
)
HCO_CH2CHO_coeff = ( 0.0_pr &
+ CH2_CH2CHO_coeff * CH2_HCO &
+ CH2DXCH2_CH2CHO_coeff * CH2DXCH2_HCO &
+ AXC3H5_CH2CHO_coeff * AXC3H5_HCO &
)
! HCCO ---------------------------------------
HCCO_denom2 = tiny(1.0_pr) + ( HCCO_denom1 &
- CH2_HCCO_coeff * CH2_HCCO &
- CH2DXCH2_HCCO_coeff * CH2DXCH2_HCCO &
- AXC3H5_HCCO_coeff * AXC3H5_HCCO &
- HCO_HCCO_coeff * HCO_HCCO &
)
HCCO_ct2 = ( HCCO_ct1 &
+ CH2_HCCO_coeff * CH2_ct2 &
+ CH2DXCH2_HCCO_coeff * CH2DXCH2_ct2 &
+ AXC3H5_HCCO_coeff * AXC3H5_ct2 &
+ HCO_HCCO_coeff * HCO_ct2 &
) / HCCO_denom2
HCCO_C2H3 = ( 0.0_pr &
+ CH2_HCCO_coeff * CH2_C2H3 &
+ CH2DXCH2_HCCO_coeff * CH2DXCH2_C2H3 &
+ AXC3H5_HCCO_coeff * AXC3H5_C2H3 &
+ HCO_HCCO_coeff * HCO_C2H3 &
) / HCCO_denom2
HCCO_CH2CHO = ( 0.0_pr &
+ CH2_HCCO_coeff * CH2_CH2CHO &
+ CH2DXCH2_HCCO_coeff * CH2DXCH2_CH2CHO &
+ AXC3H5_HCCO_coeff * AXC3H5_CH2CHO &
+ HCO_HCCO_coeff * HCO_CH2CHO &
) / HCCO_denom2
HCCO_C2H3_coeff = ( 0.0_pr &
+ CH2_C2H3_coeff * CH2_HCCO &
+ CH2DXCH2_C2H3_coeff * CH2DXCH2_HCCO &
+ AXC3H5_C2H3_coeff * AXC3H5_HCCO &
+ HCO_C2H3_coeff * HCO_HCCO &
)
HCCO_CH2CHO_coeff = ( 0.0_pr &
+ CH2_CH2CHO_coeff * CH2_HCCO &
+ CH2DXCH2_CH2CHO_coeff * CH2DXCH2_HCCO &
+ AXC3H5_CH2CHO_coeff * AXC3H5_HCCO &
+ HCO_CH2CHO_coeff * HCO_HCCO &
)
! C2H3 ---------------------------------------
C2H3_denom2 = tiny(1.0_pr) + ( C2H3_denom1 &
- CH2_C2H3_coeff * CH2_C2H3 &
- CH2DXCH2_C2H3_coeff * CH2DXCH2_C2H3 &
- AXC3H5_C2H3_coeff * AXC3H5_C2H3 &
- HCO_C2H3_coeff * HCO_C2H3 &
- HCCO_C2H3_coeff * HCCO_C2H3 &
)
C2H3_ct2 = ( C2H3_ct1 &
+ CH2_C2H3_coeff * CH2_ct2 &
+ CH2DXCH2_C2H3_coeff * CH2DXCH2_ct2 &
+ AXC3H5_C2H3_coeff * AXC3H5_ct2 &
+ HCO_C2H3_coeff * HCO_ct2 &
+ HCCO_C2H3_coeff * HCCO_ct2 &
) / C2H3_denom2
C2H3_CH2CHO = ( 0.0_pr &
+ CH2_C2H3_coeff * CH2_CH2CHO &
+ CH2DXCH2_C2H3_coeff * CH2DXCH2_CH2CHO &
+ AXC3H5_C2H3_coeff * AXC3H5_CH2CHO &
+ HCO_C2H3_coeff * HCO_CH2CHO &
+ HCCO_C2H3_coeff * HCCO_CH2CHO &
) / C2H3_denom2
C2H3_CH2CHO_coeff = ( 0.0_pr &
+ k(r96) * c(sHO2)+ &
k(r101) * c(sO2) &
+ CH2_CH2CHO_coeff * CH2_C2H3 &
+ CH2DXCH2_CH2CHO_coeff * CH2DXCH2_C2H3 &
+ AXC3H5_CH2CHO_coeff * AXC3H5_C2H3 &
+ HCO_CH2CHO_coeff * HCO_C2H3 &
+ HCCO_CH2CHO_coeff * HCCO_C2H3 &
)
! CH2CHO ---------------------------------------
CH2CHO_denom2 = tiny(1.0_pr) + ( CH2CHO_denom1 &
- CH2_CH2CHO_coeff * CH2_CH2CHO &
- CH2DXCH2_CH2CHO_coeff * CH2DXCH2_CH2CHO &
- AXC3H5_CH2CHO_coeff * AXC3H5_CH2CHO &
- HCO_CH2CHO_coeff * HCO_CH2CHO &
- HCCO_CH2CHO_coeff * HCCO_CH2CHO &
- C2H3_CH2CHO_coeff * C2H3_CH2CHO &
)
CH2CHO_ct2 = ( CH2CHO_ct1 &
+ CH2_CH2CHO_coeff * CH2_ct2 &
+ CH2DXCH2_CH2CHO_coeff * CH2DXCH2_ct2 &
+ AXC3H5_CH2CHO_coeff * AXC3H5_ct2 &
+ HCO_CH2CHO_coeff * HCO_ct2 &
+ HCCO_CH2CHO_coeff * HCCO_ct2 &
+ C2H3_CH2CHO_coeff * C2H3_ct2 &
) / CH2CHO_denom2
! Reconstruction ------------------------------------
cqss(sCH2CHO-nspec) = ( CH2CHO_ct2 &
)
cqss(sC2H3-nspec) = ( C2H3_ct2 &
+ C2H3_CH2CHO * cqss(sCH2CHO-nspec) &
)
cqss(sHCCO-nspec) = ( HCCO_ct2 &
+ HCCO_C2H3 * cqss(sC2H3-nspec) &
+ HCCO_CH2CHO * cqss(sCH2CHO-nspec) &
)
cqss(sHCO-nspec) = ( HCO_ct2 &
+ HCO_HCCO * cqss(sHCCO-nspec) &
+ HCO_C2H3 * cqss(sC2H3-nspec) &
+ HCO_CH2CHO * cqss(sCH2CHO-nspec) &
)
cqss(sAXC3H5-nspec) = ( AXC3H5_ct2 &
+ AXC3H5_HCO * cqss(sHCO-nspec) &
+ AXC3H5_HCCO * cqss(sHCCO-nspec) &
+ AXC3H5_C2H3 * cqss(sC2H3-nspec) &
+ AXC3H5_CH2CHO * cqss(sCH2CHO-nspec) &
)
cqss(sCH2DXCH2-nspec) = ( CH2DXCH2_ct2 &
+ CH2DXCH2_AXC3H5 * cqss(sAXC3H5-nspec) &
+ CH2DXCH2_HCO * cqss(sHCO-nspec) &
+ CH2DXCH2_HCCO * cqss(sHCCO-nspec) &
+ CH2DXCH2_C2H3 * cqss(sC2H3-nspec) &
+ CH2DXCH2_CH2CHO * cqss(sCH2CHO-nspec) &
)
cqss(sCH2-nspec) = ( CH2_ct2 &
+ CH2_CH2DXCH2 * cqss(sCH2DXCH2-nspec) &
+ CH2_AXC3H5 * cqss(sAXC3H5-nspec) &
+ CH2_HCO * cqss(sHCO-nspec) &
+ CH2_HCCO * cqss(sHCCO-nspec) &
+ CH2_C2H3 * cqss(sC2H3-nspec) &
+ CH2_CH2CHO * cqss(sCH2CHO-nspec) &
)
! cqss(sC2H5) (uncoupled) --------------------
cqss(sC2H5-nspec) = ( 0.0_pr &
+ k(r44f) * c(sCH3) * c(sCH3) &
+ k(r109) * c(sC2H4) * cqss(sHCO-nspec) &
+ k(r111f) * c(sC2H4) * c(sH) &
+ k(r115b) * c(sHO2) * c(sC2H4) &
+ k(r120) * c(sC2H6) * c(sCH3) &
+ k(r121) * c(sC2H6) * c(sO) &
+ k(r122) * c(sC2H6) * c(sOH) &
+ k(r123f) * c(sC2H6) * c(sH) &
+ k(r124) * c(sC2H6) * cqss(sCH2DXCH2-nspec) &
+ k(r152) * c(sCH3) * cqss(sAXC3H5-nspec) &
+ k(r163) * c(sC3H6) * c(sO) &
) / ( tiny(1.0_pr) + ( &
+ k(r44b) * c(sH) &
+ k(r111b) &
+ k(r113) * c(sH) &
+ k(r114) * c(sH) &
+ k(r115f) * c(sO2) &
+ k(r116) * c(sHO2) &
+ k(r117) * c(sHO2) &
+ k(r118) * c(sO) &
+ k(r119) * c(sHO2) &
+ k(r123b) * c(sH2) &
) )
end subroutine get_QSS
end module mHYCHEM2727212AF
!subroutine externe au module pour CANTERA
subroutine customkinetics(P, T, Y, WDOT)
use mHYCHEM2727212AF
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(23) :: 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 customkinetics