[6610] | 1 | BEGSIM |
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| 2 | output unit = 7 |
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| 3 | file = inca.doc |
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| 4 | version=NMHC_AER |
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| 5 | |
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| 6 | COMMENTS |
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| 7 | |
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| 8 | INCA version 4.2 |
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| 9 | NMHC-AER with NH3 cycle and nitrates particles |
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| 10 | Didier Hauglustaine, LSCE, 2013 |
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| 11 | |
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| 12 | ENDPAR |
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| 13 | |
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| 14 | SPECIES |
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| 15 | |
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| 16 | Solution |
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| 17 | *----------------------------- |
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| 18 | *--- species from INCA CH4 --- |
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| 19 | *----------------------------- |
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| 20 | [rn222] Rn222 |
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| 21 | [pb210] Pb210 |
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| 22 | [mcf] MCF -> CH3CCl3 |
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| 23 | [o3l] O3L -> O3 |
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| 24 | [o3i] O3I -> O3 |
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| 25 | [o3s] O3S -> O3 |
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| 26 | [cold] COLD -> @28.9644 |
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| 27 | |
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| 28 | *---------------------------- |
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| 29 | *--- species from INCA NMHC -- |
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| 30 | *---------------------------- |
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| 31 | * inorganics |
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| 32 | [h2] H2 |
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| 33 | [o3] O3 |
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| 34 | [o] O |
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| 35 | [o1d] O1D -> O |
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| 36 | [h] H |
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| 37 | [oh] OH |
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| 38 | [ho2] HO2 |
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| 39 | [h2o2] H2O2 |
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| 40 | [n2o] N2O |
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| 41 | [n] N |
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| 42 | [no] NO |
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| 43 | [no2] NO2 |
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| 44 | [no3] NO3 |
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| 45 | [hno2] HNO2 |
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| 46 | [hno3] HNO3 |
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| 47 | [hno4] HNO4 |
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| 48 | [n2o5] N2O5 |
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| 49 | |
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| 50 | [ch3] CH3 |
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| 51 | [hco] HCO |
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| 52 | |
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| 53 | * methane cycle |
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| 54 | [ch4] CH4 |
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| 55 | [co] CO |
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| 56 | [ch3o2] CH3O2 |
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| 57 | [ch3o] CH3O |
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| 58 | [ch3ooh] CH3OOH |
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| 59 | [ch3oh] CH3OH |
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| 60 | [ch2o] CH2O |
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| 61 | |
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| 62 | * NMHCs |
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| 63 | [c2h6] C2H6 |
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| 64 | [c2h4] C2H4 |
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| 65 | [c3h8] C3H8 |
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| 66 | [c3h6] C3H6 |
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| 67 | [c2h2] C2H2 |
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| 68 | [isop] ISOP -> C5H8 |
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| 69 | [apin] APIN -> C10H16 |
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| 70 | [c2h5o2] C2H5O2 |
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| 71 | [c3h7o2] C3H7O2 |
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| 72 | [propeo2] PROPEO2 -> C3H6OHO2 |
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| 73 | [propao2] PROPAO2 -> CH3COCH2O2 |
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| 74 | [isopo2] ISOPO2 -> C5H8OHO2 |
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| 75 | [macro2] MACRO2 -> CH3COCHO2CH2OH |
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| 76 | [c2h5oh] C2H5OH |
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| 77 | [ch3cho] CH3CHO |
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| 78 | [ch3cooh] CH3COOH |
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| 79 | [ch3coooh] CH3COOOH |
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| 80 | [ch3cocho] CH3COCHO |
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| 81 | [ch3co3] CH3CO3 |
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| 82 | [ch3coch3] CH3COCH3 |
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| 83 | [c2h5ooh] C2H5OOH |
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| 84 | [c3h7ooh] C3H7OOH |
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| 85 | [propeooh] PROPEOOH -> C3H6OHOOH |
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| 86 | [propaooh] PROPAOOH -> CH3COCH2OOH |
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| 87 | [pan] PAN -> CH3CO3NO2 |
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| 88 | [mpan] MPAN -> CH2CCH3CO3NO2 |
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| 89 | [macr] MACR -> CH2CCH3CHO |
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| 90 | [mvk] MVK -> CH2CHCOCH3 |
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| 91 | [mco3] MCO3 -> CH2CCH3CO3 |
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| 92 | [o3olsb] O3OLSB -> O3 |
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| 93 | |
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| 94 | [mek] MEK -> CH3CH2COCH3 |
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| 95 | [pcho] PCHO -> C10H16 |
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| 96 | [pco3] PCO3 -> C |
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| 97 | [isopno3] ISOPNO3 -> C |
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| 98 | [apino3] APINO3 -> C |
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| 99 | [apinpan] APINPAN -> C |
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| 100 | [pco3pan] PCO3PAN -> C |
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| 101 | [onitu] ONITU -> C3H7ONO2 |
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| 102 | [onitr] ONITR -> C5H8ONO2 |
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| 103 | [onituo2] ONITUO2 -> C |
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| 104 | [alkan] ALKAN -> @80.970 |
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| 105 | [alken] ALKEN -> @63.28 |
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| 106 | [arom] AROM -> @97.80 |
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| 107 | [xo2] XO2 -> C |
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| 108 | [alkano2] ALKANO2 -> @111.954 |
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| 109 | [alkeno2] ALKENO2 -> @94.28 |
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| 110 | [apino2] APINO2 -> C |
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| 111 | [aromo2] AROMO2 -> C |
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| 112 | [meko2] MEKO2 -> C4H7OO2 |
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| 113 | [macrooh] MACROOH -> C4H8O4 |
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| 114 | [mekooh] MEKOOH -> C4H8OO2 |
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| 115 | [alkanooh] ALKANOOH -> @112.964 |
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| 116 | [alkenooh] ALKENOOH -> @95.28 |
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| 117 | [aromooh] AROMOOH -> @129.8 |
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| 118 | [xooh] XOOH -> C |
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| 119 | |
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| 120 | * biomass burning CO |
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| 121 | |
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| 122 | * Aerosols |
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| 123 | |
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| 124 | [so2] SO2 |
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| 125 | [h2s] H2S |
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| 126 | [dms] DMS ->CH3SCH3 |
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| 127 | [dmso] DMSO ->CH3SOCH3 |
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| 128 | [nh3] NH3 |
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| 129 | [nh2] NH2 |
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| 130 | [nh2o] NH2O |
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| 131 | |
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| 132 | * SOA species. Nomenclature: |
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| 133 | * AS: Accumulation Soluble mode |
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| 134 | * AP (AR): APIN (AROM) is the parent hydrocarbon |
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| 135 | * p1 and p2: product 1 (less volatile) and product 2 (more volatile) |
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| 136 | * g: in the gas-phase, a: in the aerosol-phase |
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| 137 | * gas and aerosol phases must be in corresponding order, anywhere in the declaration |
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| 138 | * of the species, but gas-phase prior to aerosol-phase. APp1g and ASAPp1a always first |
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| 139 | APp1g -> @170. |
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| 140 | APp2g -> @170. |
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| 141 | ARp1g -> @150. |
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| 142 | ARp2g -> @150. |
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| 143 | |
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| 144 | * nous n'utilisons pas de masse molaire pour cidustm - le travail est fait tout le temps |
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| 145 | * avec mmr - pour eviter que le preproc se plante nous lui indiquons une masse molaire |
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| 146 | * de 0. - idem pour CIN et cie. |
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| 147 | [dustci] CIDUSTM -> @0. |
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| 148 | [no3ci] CINO3M ->NO3 |
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| 149 | [ci] CIN -> @0. |
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| 150 | |
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| 151 | * AIBCM is for the hydrophobic part of BC, resp. AIPOMM hydrophobic part of POM |
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| 152 | |
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| 153 | [bcai] AIBCM -> C |
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| 154 | [oaai] AIPOMM -> C |
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| 155 | [ai] AIN -> @0. |
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| 156 | |
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| 157 | [sscs] CSSSM ->NaCl |
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| 158 | [so4cs] CSSO4M ->SO4 |
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| 159 | [nh4cs] CSNH4M ->NH4 |
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| 160 | [msacs] CSMSAM ->CH3SO3H |
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| 161 | [no3cs] CSNO3M ->NO3 |
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| 162 | [cs] CSN -> @0. |
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| 163 | |
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| 164 | [ssas] ASSSM ->NaCl |
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| 165 | [bcas] ASBCM ->C |
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| 166 | [oaas] ASPOMM ->C |
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| 167 | |
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| 168 | ASAPp1a -> @170. |
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| 169 | ASAPp2a -> @170. |
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| 170 | ASARp1a -> @150. |
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| 171 | ASARp2a -> @150. |
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| 172 | |
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| 173 | [so4as] ASSO4M ->SO4 |
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| 174 | [nh4as] ASNH4M ->NH4 |
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| 175 | [msaas] ASMSAM ->CH3SO3H |
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| 176 | [no3as] ASNO3M ->NO3 |
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| 177 | [as] ASN -> @0. |
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| 178 | |
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| 179 | [ssss] SSSSM ->NaCl |
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| 180 | [ss] SSN -> @0. |
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| 181 | |
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| 182 | [cairfuel] CAIRFUEL -> @28.9644 |
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| 183 | [mairfuel] MAIRFUEL -> @28.9644 |
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| 184 | |
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| 185 | Endlst |
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| 186 | |
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| 187 | Fixed |
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| 188 | M |
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| 189 | N2 |
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| 190 | O2 |
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| 191 | H2O |
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| 192 | CO2 |
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| 193 | Endlst |
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| 194 | |
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| 195 | Col-int |
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| 196 | O3 = 0. |
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| 197 | O2 = 0. |
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| 198 | O3L = 0. |
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| 199 | Endent |
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| 200 | |
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| 201 | |
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| 202 | ENDPAR |
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| 203 | |
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| 204 | SOLUTION CLASSES |
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| 205 | |
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| 206 | Explicit |
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| 207 | Rn222 |
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| 208 | Pb210 |
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| 209 | MCF |
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| 210 | |
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| 211 | CH4 |
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| 212 | N2O |
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| 213 | CO |
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| 214 | H2 |
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| 215 | |
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| 216 | CIDUSTM |
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| 217 | CIN |
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| 218 | |
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| 219 | AIBCM |
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| 220 | AIPOMM |
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| 221 | AIN |
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| 222 | |
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| 223 | CSSSM |
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| 224 | CSSO4M |
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| 225 | CSNH4M |
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| 226 | CSMSAM |
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| 227 | CSN |
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| 228 | |
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| 229 | ASSSM |
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| 230 | ASMSAM |
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| 231 | ASPOMM |
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| 232 | ASN |
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| 233 | |
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| 234 | SSSSM |
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| 235 | SSN |
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| 236 | |
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| 237 | CAIRFUEL |
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| 238 | MAIRFUEL |
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| 239 | |
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| 240 | *WARNING O3I and O3S always last explicit species unless |
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| 241 | * exp_slv is modified |
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| 242 | O3L, COLD, O3I, O3S |
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| 243 | |
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| 244 | Endlst |
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| 245 | |
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| 246 | QSSA |
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| 247 | Endlst |
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| 248 | |
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| 249 | Rodas |
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| 250 | Endlst |
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| 251 | |
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| 252 | EBI |
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| 253 | Endlst |
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| 254 | |
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| 255 | Implicit |
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| 256 | O3 |
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| 257 | O |
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| 258 | O1D |
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| 259 | H |
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| 260 | OH |
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| 261 | HO2 |
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| 262 | H2O2 |
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| 263 | N |
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| 264 | NO |
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| 265 | NO2 |
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| 266 | NO3 |
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| 267 | HNO2 |
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| 268 | HNO3 |
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| 269 | HNO4 |
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| 270 | N2O5 |
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| 271 | |
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| 272 | CH3O2 |
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| 273 | CH3O |
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| 274 | CH3OOH |
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| 275 | CH3OH |
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| 276 | CH2O |
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| 277 | |
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| 278 | C2H6 |
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| 279 | C2H4 |
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| 280 | C3H8 |
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| 281 | C3H6 |
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| 282 | C2H2 |
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| 283 | ISOP |
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| 284 | APIN |
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| 285 | C2H5O2 |
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| 286 | C3H7O2 |
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| 287 | PROPEO2 |
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| 288 | PROPAO2 |
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| 289 | ISOPO2 |
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| 290 | MACRO2 |
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| 291 | C2H5OH |
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| 292 | CH3CHO |
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| 293 | CH3COOH |
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| 294 | CH3COOOH |
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| 295 | CH3COCHO |
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| 296 | CH3CO3 |
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| 297 | CH3COCH3 |
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| 298 | C2H5OOH |
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| 299 | C3H7OOH |
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| 300 | PROPEOOH |
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| 301 | PROPAOOH |
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| 302 | PAN |
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| 303 | MPAN |
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| 304 | MACR |
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| 305 | MVK |
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| 306 | MCO3 |
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| 307 | O3OLSB |
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| 308 | |
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| 309 | MEK |
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| 310 | PCHO |
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| 311 | PCO3 |
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| 312 | ISOPNO3 |
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| 313 | APINO3 |
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| 314 | APINPAN |
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| 315 | PCO3PAN |
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| 316 | ONITU |
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| 317 | ONITR |
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| 318 | ONITUO2 |
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| 319 | ALKAN |
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| 320 | ALKEN |
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| 321 | AROM |
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| 322 | XO2 |
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| 323 | ALKANO2 |
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| 324 | ALKENO2 |
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| 325 | APINO2 |
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| 326 | AROMO2 |
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| 327 | MEKO2 |
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| 328 | MACROOH |
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| 329 | MEKOOH |
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| 330 | ALKANOOH |
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| 331 | ALKENOOH |
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| 332 | AROMOOH |
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| 333 | XOOH |
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| 334 | |
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| 335 | SO2 |
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| 336 | H2S |
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| 337 | DMS |
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| 338 | DMSO |
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| 339 | ASSO4M |
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| 340 | CINO3M |
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| 341 | CSNO3M |
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| 342 | ASNH4M |
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| 343 | ASNO3M |
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| 344 | ASBCM |
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| 345 | |
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| 346 | NH3 |
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| 347 | NH2 |
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| 348 | NH2O |
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| 349 | |
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| 350 | APp1g,APp2g,ARp1g,ARp2g |
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| 351 | |
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| 352 | CH3 |
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| 353 | HCO |
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| 354 | |
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| 355 | Endlst |
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| 356 | |
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| 357 | ENDPAR |
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| 358 | |
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| 359 | CHEMISTRY |
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| 360 | Photolysis |
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| 361 | *** base reactions; calculated by TUV |
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| 362 | [jO2] O2 + hv -> 2.0*O |
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| 363 | [jO3O1D] O3 + hv -> O1D + O2 |
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| 364 | [jO3O] O3 + hv -> O + O2 |
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| 365 | [jNO2] NO2 + hv -> NO + O |
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| 366 | [jNO3NO] NO3 + hv -> NO + O2 |
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| 367 | [jNO3NO2] NO3 + hv -> NO2 + O |
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| 368 | [jN2O5] N2O5 + hv -> NO2 + NO3 |
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| 369 | [jHNO2] HNO2 + hv -> NO + OH |
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| 370 | [jHNO3] HNO3 + hv -> NO2 + OH |
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| 371 | [jHNO4] HNO4 + hv -> NO2 + HO2 |
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| 372 | [jCH3OOH] CH3OOH + hv -> CH3O + OH |
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| 373 | [jCH2OHCOH] CH2O + hv -> HCO + H |
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| 374 | [jCH2OCOH2] CH2O + hv -> CO + H2 |
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| 375 | [jH2O2] H2O2 + hv -> 2.0 * OH |
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| 376 | [jN2O] N2O + hv -> O1D + N2 |
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| 377 | [jMCF] MCF + hv -> |
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| 378 | [jH2O] H2O + hv -> OH + H |
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| 379 | [jCH3CHO] CH3CHO + hv -> CH3O2 + CO + HO2 |
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| 380 | [jCH3COCH3] CH3COCH3 + hv -> CH3CO3 + CH3O2 |
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| 381 | [jCH3COCHO] CH3COCHO + hv -> CH3CO3 + CO + HO2 |
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| 382 | [jMVK] MVK + hv -> 0.3*CH3CO3+0.7*C3H6+0.7*CO+0.3*CH3O2 |
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| 383 | [jPAN] PAN + hv -> CH3CO3 + NO2 |
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| 384 | *** end of base reactions |
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| 385 | |
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| 386 | *** Next reaction in 2 lines (products doubled) |
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| 387 | [jMACR1] MACR + hv -> 1.34*HO2+0.66*MCO3+1.34*CH2O+1.34*CH3CO3 |
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| 388 | [jMACR2] MACR + hv -> 0.66*OH+1.34*CO |
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| 389 | |
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| 390 | *** Next reaction in 2 lines (products doubled) |
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| 391 | [jONITU1] ONITU + hv -> 2.0*NO2+1.306*HO2+0.666*CH3COCH3+1.024*MEK |
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| 392 | [jONITU2] ONITU + hv -> 0.692*C2H5O2 |
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| 393 | |
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| 394 | [jPCHO] PCHO + hv -> HO2 + CO + XO2 + PROPEO2 |
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| 395 | [jMEK] MEK + hv -> CH3CO3 + C2H5O2 |
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| 396 | [jMPAN] MPAN + hv -> MCO3 + NO2 |
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| 397 | [jAPINPAN] APINPAN + hv -> APINO3 + NO2 |
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| 398 | [jPCO3PAN] PCO3PAN + hv -> PCO3 + NO2 |
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| 399 | |
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| 400 | [jONITR] ONITR + hv -> HO2+CO+NO2+CH2O |
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| 401 | [jPROPEOOH] PROPEOOH + hv -> CH3CHO + CH2O + HO2 + OH |
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| 402 | [jC2H5OOH] C2H5OOH + hv -> CH3CHO + HO2 + OH |
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| 403 | [jC3H7OOH] C3H7OOH + hv -> 0.218*CH3CHO+0.782*CH3COCH3+OH+HO2 |
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| 404 | [jPROPAOOH] PROPAOOH + hv -> CH2O+CH3CO3+OH |
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| 405 | [jXOOH] XOOH + hv -> OH |
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| 406 | [jCH3COOOH] CH3COOOH + hv -> CH3O2 + OH + CO2 |
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| 407 | |
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| 408 | *** Next reaction in 2 lines (products doubled) |
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| 409 | [jMARCROOHOH1] MACROOH + hv -> 2.0*OH+1.68*CO+0.32*CH2O+2.0*HO2 |
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| 410 | [jMARCROOHOH2] MACROOH + hv -> 0.32*CH3COCHO+1.68*CH3COCHO |
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| 411 | |
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| 412 | *** Next reaction in 2 lines (products doubled) |
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| 413 | [jMACROOHHO21] MACROOH + hv -> 2.32*HO2+2.0*CO+1.68*OH+1.68*CH3COCHO |
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| 414 | [jMACROOHHO22] MACROOH + hv -> 0.32*PROPAOOH |
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| 415 | |
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| 416 | *** Next reaction in 2 lines (products doubled) |
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| 417 | [jMEKOOH1] MEKOOH + hv -> 2.0*OH+1.86*CH3CHO+1.2*CH3CO3+0.14*CH2O |
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| 418 | [jMEKOOH2] MEKOOH + hv -> 0.4*MEK |
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| 419 | |
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| 420 | *** Next reaction in 2 lines (products doubled) |
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| 421 | [jALKENOOH1] ALKENOOH + hv -> 2.0*OH+2.0*HO2+0.33*CH2O+1.36*CH3CHO |
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| 422 | [jALKENOOH2] ALKENOOH + hv -> 0.31*CH3COCH3 |
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| 423 | |
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| 424 | *** Next reaction in 2 lines (products doubled) |
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| 425 | [jALKANOOH1] ALKANOOH + hv -> 2.0*OH+1.124*HO2+0.668*XO2+0.2*CH3O2 |
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| 426 | [jALKANOOH2] ALKANOOH + hv -> 0.716*CH3COCH3+1.028*MEK+0.012*CH2O+0.908*CH3CHO |
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| 427 | |
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| 428 | *** Next reaction in 2 lines (products doubled) |
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| 429 | [jAROMOOH1] AROMOOH + hv -> 2.0*OH + 0.846*CH3COCHO+3.316*HO2+1.316*CO |
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| 430 | [jAROMOOH2] AROMOOH + hv -> 1.316*CH3CO3 |
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| 431 | |
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| 432 | *** NO + hv always has to be the last |
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| 433 | [jNO] NO + hv -> N + O |
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| 434 | |
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| 435 | Endent |
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| 436 | |
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| 437 | Reactions |
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| 438 | * ============================================= |
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| 439 | * === reactions with special rate constants === |
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| 440 | * ============================================= |
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| 441 | [kCH3O] CH3 + O -> CH2O + H ; 1.1e-10 |
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| 442 | [kCH3O3] CH3 + O3 -> CH2O + HO2 ; 5.4e-12, -220 |
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| 443 | [kHCOO2] HCO + O2 -> CO + HO2 ; 5.2e-12 |
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| 444 | |
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| 445 | * === inorganic species === |
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| 446 | [kHNO3OH] HNO3 + OH -> NO3 + H2O |
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| 447 | [kCOOH] CO + OH -> CO2 + H |
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| 448 | [kHO2HO2] HO2 + HO2 -> H2O2 |
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| 449 | [kHO2M] H + O2 + M -> HO2 + M |
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| 450 | [kNO2OM] NO2 + O + M -> NO3 + M |
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| 451 | [kSO2OHM] SO2 + OH + M -> ASSO4M + HO2 + M |
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| 452 | [kDMSOHDMSO] DMS + OH -> 0.6*SO2 + 0.4*DMSO + 1.2*CH2O |
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| 453 | |
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| 454 | |
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| 455 | |
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| 456 | [kOO2M] O + O2 + M -> O3 + M |
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| 457 | [kOOM] O + O + M -> O2 + M |
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| 458 | [kNO2NO3M] NO2 + NO3 + M -> N2O5 + M |
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| 459 | [kN2O5M] N2O5 + M -> NO2 + NO3 + M |
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| 460 | [kNOOHM] NO + OH + M -> HNO2 + M |
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| 461 | [kNO2OHM] NO2 + OH + M -> HNO3 + M |
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| 462 | [kNO2HO2M] NO2 + HO2 + M -> HNO4 + M |
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| 463 | [kHNO4M] HNO4 + M -> HO2 + NO2 + M |
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| 464 | |
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| 465 | * === organic species === |
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| 466 | |
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| 467 | * ==================== |
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| 468 | * === ethane cycle === |
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| 469 | * ==================== |
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| 470 | [kC2H6OH] C2H6 + OH -> C2H5O2 + H2O |
---|
| 471 | [kC2H5OOHOHCH3CH] C2H5OOH + OH -> H2O + CH3CHO + OH |
---|
| 472 | * === end of ethane cylce === |
---|
| 473 | |
---|
| 474 | * ===================== |
---|
| 475 | * === propane cycle === |
---|
| 476 | * ===================== |
---|
| 477 | [kC3H8OH] C3H8 + OH -> C3H7O2 + H2O |
---|
| 478 | [kC3H7OOHOHOH] C3H7OOH + OH -> H2O + OH + CH3CHO |
---|
| 479 | [kPROPAOOHOHOH] PROPAOOH + OH -> OH + CH3COCHO + H2O |
---|
| 480 | * === end of propane cycle === |
---|
| 481 | |
---|
| 482 | * =============================== |
---|
| 483 | * === ethene & propene cycles === |
---|
| 484 | * =============================== |
---|
| 485 | [kC3H6OHM] C3H6 + OH + M -> PROPEO2 + M |
---|
| 486 | [kC2H4OHM] C2H4 + OH + M -> 0.6667*PROPEO2 + M |
---|
| 487 | [kPROPEOOHOH1] PROPEOOH + OH -> H2O + OH + CH3COCHO |
---|
| 488 | [kPROPEOOHOH2] PROPEOOH + OH -> H2O + OH + CH3COCHO |
---|
| 489 | [kPROPEOOHOHCH3C] PROPEOOH + OH -> H2O + HO2 + CH3COCHO |
---|
| 490 | [kPROPEOOHOHPROP] PROPEOOH + OH -> H2O + HO2 + PROPAOOH |
---|
| 491 | [kCH3CO3NO2M] CH3CO3 + NO2 + M -> PAN + M |
---|
| 492 | [kPANM] PAN + M -> CH3CO3 + NO2 + M |
---|
| 493 | * === end of ethene & propene cycles === |
---|
| 494 | |
---|
| 495 | * ======================= |
---|
| 496 | * === ethine reactions === |
---|
| 497 | * ======================= |
---|
| 498 | [kC2H2OHMCO] C2H2 + OH + M -> 0.72*CO + 0.72*HO2 + 1.28*CH3CHO + M |
---|
| 499 | [kC2H2OHMOH] C2H2 + OH + M -> 1.28*OH + M |
---|
| 500 | * === end of ethin reactions === |
---|
| 501 | |
---|
| 502 | * ====================== |
---|
| 503 | * === isoprene cycle === |
---|
| 504 | * ====================== |
---|
| 505 | |
---|
| 506 | * === end of isoprene cycle === |
---|
| 507 | |
---|
| 508 | * ========================== |
---|
| 509 | * === alpha-pinene cycle === |
---|
| 510 | * ========================== |
---|
| 511 | |
---|
| 512 | * O3 reaction in three lines total, products tripled |
---|
| 513 | * IMPORTANT: Remember to change this reaction rate in usrrxt.F if you change it here! |
---|
| 514 | * Increased reactivity due to SOA: 1.1615*1.72=1.9978, 1.9978/3=0.666 due to tripled reaction |
---|
| 515 | [kAPINO31] APIN + O3 -> 3.0*APp1g |
---|
| 516 | [kAPINO32] APIN + O3 -> 3.0*APp2g |
---|
| 517 | [kAPINO33] APIN + O3 -> 0.375*O3OLSB + 1.68*OH + 1.68*APINO3 ; 0.666e-15, -732 |
---|
| 518 | |
---|
| 519 | [kAPINO3NO2M] APINO3 + NO2 + M -> APINPAN + M |
---|
| 520 | [kAPINPANM] APINPAN + M -> APINO3 + NO2 + M |
---|
| 521 | * === end of alpha-pinene cycle === |
---|
| 522 | |
---|
| 523 | |
---|
| 524 | * ================================================ |
---|
| 525 | * === oxidation cycle of organic intermediates === |
---|
| 526 | * ================================================ |
---|
| 527 | [kMACROOHOHOH] MACROOH + OH -> H2O + OH + 2.0*CH3CHO |
---|
| 528 | [kMACROOHOHMCO3] MACROOH + OH -> H2O + MCO3 |
---|
| 529 | [kMACROOHOHHO2] MACROOH + OH -> H2O + HO2 + 0.4*CH3CHO + 0.6*C2H5OOH |
---|
| 530 | [kMCO3NO2M] MCO3 + NO2 + M -> MPAN + M |
---|
| 531 | [kMPANM] MPAN + M -> MCO3 + NO2 + M |
---|
| 532 | [kC2H5OHOH] C2H5OH + OH -> CH3CHO + HO2 + H2O |
---|
| 533 | [kPCO3NO2M] PCO3 + NO2 + M -> PCO3PAN + M |
---|
| 534 | [kPCO3PANM] PCO3PAN + M -> PCO3 + NO2 + M |
---|
| 535 | * === end of organic intermediates === |
---|
| 536 | |
---|
| 537 | * ================================= |
---|
| 538 | * === methyl-ethyl-ketone cycle === |
---|
| 539 | * ================================= |
---|
| 540 | [kMEKOH] MEK + OH -> MEKO2 |
---|
| 541 | [kMEKOOHOHMEK] MEKOOH + OH -> H2O + OH + MEK |
---|
| 542 | [kMEKOOHOHCH3CHO] MEKOOH + OH -> H2O + OH + CH3CHO + 0.5*MEK |
---|
| 543 | [kMEKOOHOHCH3COC] MEKOOH + OH -> H2O + OH + CH3COCHO |
---|
| 544 | * === end of methyl-ethyl-ketone cycle === |
---|
| 545 | |
---|
| 546 | * =================================== |
---|
| 547 | * === lumped alkene species cycle === |
---|
| 548 | * =================================== |
---|
| 549 | [kALKENOOHOHCH3C] ALKENOOH + OH -> H2O + OH + CH3COCHO |
---|
| 550 | * === end of lumped alkene species cycle === |
---|
| 551 | |
---|
| 552 | * =================================== |
---|
| 553 | * === lumped alkane species cycle === |
---|
| 554 | * =================================== |
---|
| 555 | [kALKANOH] ALKAN + OH -> ALKANO2 |
---|
| 556 | [kALKANOOHOHCH3C] ALKANOOH + OH -> H2O + OH + CH3CHO |
---|
| 557 | [kALKANOOHOHMEK] ALKANOOH + OH -> H2O + OH + MEK |
---|
| 558 | * === end of lumped alkane species cycle === |
---|
| 559 | |
---|
| 560 | * ===================================== |
---|
| 561 | * === lumped aromatic species cycle === |
---|
| 562 | * ===================================== |
---|
| 563 | [kAROMOOHOHOH] AROMOOH + OH -> H2O + OH |
---|
| 564 | |
---|
| 565 | *** Next reaction in 2 lines (products doubled) |
---|
| 566 | [kAROMOOHOH1] AROMOOH + OH -> 2.0*H2O + 2.0*OH + 2.0*HO2 + 2.0*CO |
---|
| 567 | [kAROMOOHOH2] AROMOOH + OH -> 2.0*CH3CO3 |
---|
| 568 | * === end of lumped aromatic species cycle === |
---|
| 569 | |
---|
| 570 | * ===================================== |
---|
| 571 | * === extra organic peroxy radicals === |
---|
| 572 | * ===================================== |
---|
| 573 | [kXOOHOHOH] XOOH + OH -> H2O + OH |
---|
| 574 | * === end of extra organic peroxy radicals === |
---|
| 575 | |
---|
| 576 | * First set of heterogeneous reactions on sulfates (see below for the second set) |
---|
| 577 | * ============================= |
---|
| 578 | * === reactions on aerosols === |
---|
| 579 | * ============================= |
---|
| 580 | [kN2O5SO4] N2O5 -> 2 * HNO3 |
---|
| 581 | [kNO2SO4] NO2 -> 0.5*HNO3+0.5*HNO2 |
---|
| 582 | [kNO3SO4] NO3 -> HNO3 |
---|
| 583 | [kHO2SO4] HO2 -> 0.5*H2O2+0.5*O2 |
---|
| 584 | |
---|
| 585 | * ================================================== |
---|
| 586 | * === end of section with special rate constants === |
---|
| 587 | * ================================================== |
---|
| 588 | |
---|
| 589 | |
---|
| 590 | |
---|
| 591 | * ================================ |
---|
| 592 | * === Arrhenius-type reactions === |
---|
| 593 | * ================================ |
---|
| 594 | [kRn222] Rn222 -> Pb210 ; 2.100e-06 |
---|
| 595 | [kMCFOH] MCF + OH -> H2O ; 1.800e-12, -1550 |
---|
| 596 | |
---|
| 597 | * === inorganic species === |
---|
| 598 | [kOO3] O + O3 -> 2.0*O2 ; 8.0e-12, -2060 |
---|
| 599 | [kO1DO3] O1D + O3 -> 2.0*O2 ; 1.2e-10 |
---|
| 600 | |
---|
| 601 | * Atkinson,R. et al.; J. Phys. Chem. Ref. Data 26, 1329-1499 (1997) |
---|
| 602 | [kO1DN2] O1D + N2 -> O + N2 ; 1.8e-11, 107 |
---|
| 603 | |
---|
| 604 | * Atkinson,R. et al.; J. Phys. Chem. Ref. Data 26, 1329-1499 (1997) |
---|
| 605 | [kO1DO2] O1D + O2 -> O + O2 ; 3.2e-11, 67 |
---|
| 606 | |
---|
| 607 | [kO1DH2O] O1D + H2O -> 2 * OH ; 2.2e-10 |
---|
| 608 | [kO1DH2] O1D + H2 -> OH + H ; 1.1e-10 |
---|
| 609 | |
---|
| 610 | [kN2OO1D2NO] N2O + O1D -> 2.0*NO ; 6.7e-11 |
---|
| 611 | |
---|
| 612 | * Atkinson,R. et al.; J. Phys. Chem. Ref. Data 26, 1329-1499 (1997) |
---|
| 613 | [kN2OO1DN2] N2O + O1D -> N2 + O2 ; 4.4e-11 |
---|
| 614 | |
---|
| 615 | [kNOHO2] NO + HO2 -> NO2 + OH ; 3.5e-12, 250 |
---|
| 616 | |
---|
| 617 | * Atkinson,R. et al.; J. Phys. Chem. Ref. Data 26, 1329-1499 (1997) |
---|
| 618 | [kNOO3] NO + O3 -> NO2 + O2 ; 1.80e-12, -1370 |
---|
| 619 | |
---|
| 620 | [kNO2O] NO2 + O -> NO + O2 ; 6.5e-12, 120 |
---|
| 621 | |
---|
| 622 | * DeMore,W.B. et al.; JPL Publication 97-4 , (1997) |
---|
| 623 | [kNO2O3] NO2 + O3 -> NO3 + O2 ; 1.2e-13, -2450 |
---|
| 624 | |
---|
| 625 | * Hall, I.W.; Wayne, R.P.; Cox, R.A.; Jenkin, M.E.; Hayman, G.D. |
---|
| 626 | [kNO3HO2] NO3 + HO2 -> 0.4*HNO3 + 0.6*OH + 0.6*NO2 ; 2.3e-12, 170 |
---|
| 627 | |
---|
| 628 | * Atkinson,R. et al.; J. Phys. Chem. Ref. Data 26, 1329-1499 (1997) |
---|
| 629 | [kNO3NO] NO3 + NO -> 2.0*NO2 ; 1.8e-11, 110 |
---|
| 630 | |
---|
| 631 | * DeMore,W.B. et al.; JPL Publication 02-25 , (2003) |
---|
| 632 | [kHNO2OH] HNO2 + OH -> H2O + NO2 ; 1.80e-11, -390 |
---|
| 633 | |
---|
| 634 | * DeMore,W.B. et al.; JPL Publication 97-4 , (1997) |
---|
| 635 | [kHNO4OH] HNO4 + OH -> H2O + NO2 + O2 ; 1.30e-12, 380 |
---|
| 636 | |
---|
| 637 | [kOOH] O + OH -> H + O2 ; 2.2e-11, 120 |
---|
| 638 | [kHO2O] HO2 + O -> OH + O2 ; 3.0e-11, 200 |
---|
| 639 | |
---|
| 640 | * Atkinson,R.; J. Phys. Chem. Ref. Data 26, 1329-1499 (1997) |
---|
| 641 | [kOHO3] OH + O3 -> HO2 + O2 ; 1.90e-12, -1000 |
---|
| 642 | |
---|
| 643 | [kHO2O3] HO2 + O3 -> OH + 2.0*O2 ; 1.1e-14, -500 |
---|
| 644 | [kH2O2OH] H2O2 + OH -> H2O + HO2 ; 2.9e-12, -160 |
---|
| 645 | [kOHHO2] OH + HO2 -> H2O + O2 ; 4.8e-11, 250 |
---|
| 646 | [kOHOH] OH + OH -> H2O + O ; 4.2e-12, -240 |
---|
| 647 | |
---|
| 648 | * DeMore,W.B. et al.; JPL Publication 97-4 , (1997) |
---|
| 649 | [kH2OH] H2 + OH -> H2O + H; 5.5e-12, -2000 |
---|
| 650 | |
---|
| 651 | [kNO2NO] N + O2 -> NO + O ; 1.5e-11, -3600 |
---|
| 652 | [kNNO] N + NO -> N2 + O ; 2.1e-11, 100 |
---|
| 653 | |
---|
| 654 | [kHO3] H + O3 -> OH + O2 ; 1.0e-10, -367 |
---|
| 655 | [kHNO2] H + NO2 -> OH + NO ; 4.0e-10, -340 |
---|
| 656 | [kHHO2OH] H + HO2 -> 2.0*OH ; 7.2e-11 |
---|
| 657 | [kHHO2H2] H + HO2 -> H2 + O2 ; 5.6e-12 |
---|
| 658 | [kHHO2H2O] H + HO2 -> H2O + O ; 2.4e-12 |
---|
| 659 | |
---|
| 660 | * === organic species === |
---|
| 661 | |
---|
| 662 | * ===================== |
---|
| 663 | * === methane cycle === |
---|
| 664 | * ===================== |
---|
| 665 | * DeMore,W.B. et al.; JPL Publication 97-4 , (1997) |
---|
| 666 | [kCH4OH] CH4 + OH -> CH3 + H2O ; 2.45e-12, -1775 |
---|
| 667 | |
---|
| 668 | [kCH4O1DCH3O2] CH4 + O1D -> CH3 + OH ; 2.25e-10 |
---|
| 669 | [kCH4O1DH2] CH4 + O1D -> H2 + CH2O ; 3.75e-11 |
---|
| 670 | [kCH4O1DCH3OH] CH4 + O1D -> CH3OH ; 4.98e-11 |
---|
| 671 | [kCH3O2NO] CH3O2 + NO -> CH3O + NO2 ; 3.0e-12, 280 |
---|
| 672 | [kCH3O2NO3] CH3O2 + NO3 -> CH3O + NO2 + O2 ; 3.1e-12 |
---|
| 673 | [kCH3OO2] CH3O + O2 -> CH2O + HO2 ; 3.9e-14, -900 |
---|
| 674 | [kCH3ONO2] CH3O + NO2 -> HNO2 + CH2O ; 1.1e-11, -1200 |
---|
| 675 | |
---|
| 676 | * Atkinson,R.; J. Phys. Chem. Ref. Data 26, 1329-1499 (1997) |
---|
| 677 | [kCH3OHOH] CH3OH + OH -> CH2O + HO2 + H2O ; 3.10e-12, -360 |
---|
| 678 | |
---|
| 679 | [kCH3O2CH3O2CH2O] CH3O2 + CH3O2 -> CH3OH + CH2O + O2 ; 1.5e-13, 190 |
---|
| 680 | [kCH3O2CH3O2CH3O] CH3O2 + CH3O2 -> 2.0*CH3O + O2 ; 1.0e-13, 190 |
---|
| 681 | [kCH3O2HO2] CH3O2 + HO2 -> CH3OOH + O2 ; 3.8e-13, 800 |
---|
| 682 | [kCH3OOHOHCH2O] CH3OOH + OH -> CH2O + OH + H2O ; 1.0e-12, 190 |
---|
| 683 | [kCH3OOHOHCH3O2] CH3OOH + OH -> CH3O2 + H2O ; 1.9e-12, 190 |
---|
| 684 | |
---|
| 685 | * Atkinson,R. et al.; J. Phys. Chem. Ref. Data 26, 1329-1499 (1997) |
---|
| 686 | [kCH2OOH] CH2O + OH -> HCO + H2O ; 8.59e-12, 20 |
---|
| 687 | |
---|
| 688 | [kCH2OO] CH2O + O -> OH + HCO ; 3.4e-11, -1600. |
---|
| 689 | [kCH2ONO3] CH2O + NO3 -> HCO + HNO3 ; 5.8e-16 |
---|
| 690 | * === end of methane cycle === |
---|
| 691 | |
---|
| 692 | [kCH3O2M] CH3 + O2 + M -> CH3O2 + M |
---|
| 693 | |
---|
| 694 | |
---|
| 695 | * ==================== |
---|
| 696 | * === ethane cycle === |
---|
| 697 | * ==================== |
---|
| 698 | [kC2H5O2NO] C2H5O2 + NO -> CH3CHO + HO2 + NO2 ; 2.7e-12, 360 |
---|
| 699 | [kC2H5O2NO3] C2H5O2 + NO3 -> CH3CHO + HO2 + NO2 ; 2.4e-12 |
---|
| 700 | [kC2H5O2HO2] C2H5O2 + HO2 -> C2H5OOH + O2 ; 4.40e-13, 900 |
---|
| 701 | |
---|
| 702 | *** Next reaction in 2 lines (products doubled) |
---|
| 703 | [kC2H5O2CH3O21] C2H5O2 + CH3O2 -> 1.48*CH2O + 1.48*CH3CHO + 1.92*HO2 + 0.52*CH3OH ; 1.0e-13 |
---|
| 704 | [kC2H5O2CH3O22] C2H5O2 + CH3O2 -> 0.52*C2H5OH ; 1.0e-13 |
---|
| 705 | |
---|
| 706 | [kC2H5O2C2H5O2] C2H5O2 + C2H5O2 -> 1.63*CH3CHO + 1.26*HO2 + 0.37*C2H5OH ; 9.8e-14, 100 |
---|
| 707 | [kC2H5OOHOHC2H5O] C2H5OOH + OH -> H2O + C2H5O2 ; 1.9e-12, 190 |
---|
| 708 | * === end of ethane cylce === |
---|
| 709 | |
---|
| 710 | * ===================== |
---|
| 711 | * === propane cycle === |
---|
| 712 | * ===================== |
---|
| 713 | *** Next reaction in 2 lines (products doubled) |
---|
| 714 | [kC3H7O2NO1] C3H7O2 + NO -> 1.44*CH3COCH3 + 0.44*CH3CHO + 1.88*NO2 + 1.88*HO2 ; 1.35e-12, 360 |
---|
| 715 | [kC3H7O2NO2] C3H7O2 + NO -> 0.12*ONITU ; 1.35e-12, 360 |
---|
| 716 | |
---|
| 717 | [kC3H7O2NO3] C3H7O2 + NO3 -> 0.766*CH3COCH3 + 0.234*CH3CHO + NO2 + HO2 ; 2.4e-12 |
---|
| 718 | [kC3H7O2HO2] C3H7O2 + HO2 -> C3H7OOH + O2 ; 1.9e-13, 1300 |
---|
| 719 | |
---|
| 720 | *** Next reaction in 2 lines (products doubled) |
---|
| 721 | [kC3H7O2CH3O21] C3H7O2 + CH3O2 -> 1.39*CH2O + 1.56*HO2 + 0.256*CH3COCH3 + 0.61*CH3OH ; 2.5916e-12 |
---|
| 722 | [kC3H7O2CH3O22] C3H7O2 + CH3O2 -> 1.134*CH3CHO ; 2.5916e-12 |
---|
| 723 | |
---|
| 724 | [kC3H7OOHOHC3H7O] C3H7OOH + OH -> H2O + C3H7O2 ; 1.9e-12, 190 |
---|
| 725 | |
---|
| 726 | * Atkinson,R.; J. Phys. Chem. Ref. Data 26, 1329-1499 (1997) |
---|
| 727 | [kCH3COCH3OH] CH3COCH3 + OH -> PROPAO2 + H2O ; 2.81e-12, -760 |
---|
| 728 | |
---|
| 729 | [kPROPAO2NO] PROPAO2 + NO -> NO2 + CH2O + CH3CO3 ; 2.7e-12, 360 |
---|
| 730 | [kPROPAO2NO3] PROPAO2 + NO3 -> NO2 + CH2O + CH3CO3 ; 2.4e-12 |
---|
| 731 | [kPROPAO2HO2] PROPAO2 + HO2 -> PROPAOOH + O2 ; 1.9e-13, 1300 |
---|
| 732 | |
---|
| 733 | *** Next reaction in 2 lines (products doubled) |
---|
| 734 | [kPROPAO2CH3O11] PROPAO2 + CH3O2 -> 0.46*CH3OH + 1.08*HO2 + 2.62*CH2O + 0.46*CH3COCHO ; 1.9e-12 |
---|
| 735 | [kPROPAO2CH3O22] PROPAO2 + CH3O2 -> 1.08*CH3CO3 ; 1.9e-12 |
---|
| 736 | |
---|
| 737 | [kPROPAOOHOHPROP] PROPAOOH + OH -> PROPAO2 + H2O ; 1.9e-12, 190 |
---|
| 738 | * === end of propane cycle === |
---|
| 739 | |
---|
| 740 | * =============================== |
---|
| 741 | * === ethene & propene cycles === |
---|
| 742 | * =============================== |
---|
| 743 | *** Next reaction in 2 lines (products doubled) |
---|
| 744 | * DeMore,W.B.; Chemical kinetics and photochemical data for use in stratospheric modeling. Evaluation number 12, JPL Publication 97-4 , (1997) |
---|
| 745 | [kC2H4O31] C2H4 + O3 -> 2.0*CH2O + 0.92*CO + 0.32*HO2 + 0.16*OH ; 6.0e-15, -2630 |
---|
| 746 | [kC2H4O32] C2H4 + O3 -> 0.34*CO2 + 0.74*O3OLSB ; 6.0e-15, -2630 |
---|
| 747 | |
---|
| 748 | *** Next reaction in 3 lines (products tripled) |
---|
| 749 | * DeMore,W.B.; Chemical kinetics and photochemical data for use in stratospheric modeling. Evaluation number 12, JPL Publication 97-4 , (1997) |
---|
| 750 | [kC3H6O31] C3H6 + O3 -> 1.8972*CH2O+1.023*CH3O2+0.2604*CH4+1.2498*CO ; 2.17e-15, -1900 |
---|
| 751 | [kC3H6O32] C3H6 + O3 -> 0.0372*CH3OH+0.6288*HO2+0.7422*OH+1.14*CH3CHO ; 2.17e-15, -1900 |
---|
| 752 | [kC3H6O33] C3H6 + O3 -> 0.8262*CO2+0.924*O3OLSB ; 2.17e-15, -1900 |
---|
| 753 | |
---|
| 754 | [kPROPEO2NO] PROPEO2 + NO -> CH3CHO + CH2O + HO2 + NO2 ; 2.7e-12, 360 |
---|
| 755 | [kPROPEO2NO3] PROPEO2 + NO3 -> CH3CHO + CH2O + HO2 + NO2 ; 2.4e-12 |
---|
| 756 | [kPROPEO2HO2] PROPEO2 + HO2 -> PROPEOOH + O2 ; 1.9e-13, 1300 |
---|
| 757 | |
---|
| 758 | *** Next reaction in 2 lines (products doubled) |
---|
| 759 | [kPROPEO2CH3O21] PROPEO2 + CH3O2 -> 0.61*CH3OH + 1.56*HO2 + 2.17*CH2O + 0.064*CH3COCHO ; 3.7915e-13 |
---|
| 760 | [kPROPEO2CH3O22] PROPEO2 + CH3O2 -> 0.78*CH3CHO + 0.546*CH3COCH3; 3.7915e-13 |
---|
| 761 | |
---|
| 762 | [kPROPEOOHOH] PROPEOOH + OH -> H2O + PROPEO2 ; 1.9e-12 , 190 |
---|
| 763 | |
---|
| 764 | * DeMore,W.B.; Chemical kinetics and photochemical data for use in stratospheric modeling. Evaluation number 12, JPL Publication 97-4 , (1997) |
---|
| 765 | [kCH3CHOOH] CH3CHO + OH -> CH3CO3 + H2O ; 5.6e-12, 270 |
---|
| 766 | |
---|
| 767 | [kCH3CHONO3] CH3CHO + NO3 -> CH3CO3 + HNO3 ; 1.4e-12, -1860 |
---|
| 768 | [kCH3CO3NO] CH3CO3 + NO -> CH3O2 + CO2 + NO2 ; 5.3e-12, 360 |
---|
| 769 | [kCH3CO3NO3] CH3CO3 + NO3 -> CH3O2 + CO2 + NO2 ; 5.0e-12 |
---|
| 770 | [kCH3CO3HO2] CH3CO3 + HO2 -> 0.7*CH3COOOH + 0.3*CH3COOH + 0.3*O3 + 0.7*O2 ; 4.3e-13, 1040 |
---|
| 771 | [kCH3CO3CH3CO3] CH3CO3 + CH3CO3 -> 2.0*CH3O2 + 2.0*CO2 ; 2.3e-12, 530 |
---|
| 772 | |
---|
| 773 | *** Next reaction in 2 lines (products doubled and rate constant/2) |
---|
| 774 | [kCH3CO3CH3O21] CH3CO3 + CH3O2 -> 1.72*CH3O2 + 1.72*CH2O + 1.72*HO2 + 1.72*CO2 ; 6.5e-13, 640 |
---|
| 775 | [kCH3CO3CH3O22] CH3CO3 + CH3O2 -> 0.28*CH3COOH + 0.28*CH2O + 2.0*O2 ; 6.5e-13, 640 |
---|
| 776 | |
---|
| 777 | [kCH3COOOHOH] CH3COOOH + OH -> CH3CO3 + H2O ; 1.9e-12, 190 |
---|
| 778 | * === end of ethene & propene cycles === |
---|
| 779 | |
---|
| 780 | * ====================== |
---|
| 781 | * === isoprene cycle === now includes SOA production (0.2% molar yield, Claeys et al., 2004; added to ASPOMM) |
---|
| 782 | * ====================== |
---|
| 783 | * linear fit to all existing data, reduces rate coeff. |
---|
| 784 | [kISOPOH] ISOP + OH -> ISOPO2 + 0.002*ASPOMM ; 2.89e-11, 335 |
---|
| 785 | |
---|
| 786 | *** Next reaction in 3 lines (products tripled) |
---|
| 787 | * Treacy,J.; El Hag,M.; O'Farrell,D.; Sidebottom,H., 1992 |
---|
| 788 | * 20% increased |
---|
| 789 | [kISOPO31] ISOP + O3 -> 1.26*MACR+0.48*MVK+0.54*OH+0.15*C3H6 ; 3.12e-15, -1913 |
---|
| 790 | [kISOPO32] ISOP + O3 -> 1.26*CH2O+0.81*CO+0.27*HO2+1.32*O3OLSB ; 3.12e-15, -1913 |
---|
| 791 | [kISOPO33] ISOP + O3 -> 0.21*H2+0.45*CO2 ; 3.12e-15, -1913 |
---|
| 792 | |
---|
| 793 | [kISOPNO3] ISOP + NO3 -> ISOPNO3 ; 3.03e-12, -446 |
---|
| 794 | |
---|
| 795 | *** Next reaction in 2 lines (products doubled) |
---|
| 796 | [kISOPO2NO1] ISOPO2 + NO -> 0.808*MACR+0.708*MVK+1.216*CH2O+1.52*HO2 ; 1.35e-12, 360 |
---|
| 797 | [kISOPO2NO2] ISOPO2 + NO -> 1.76*NO2+0.24*ONITR+0.24*XO2 ; 1.35e-12, 360 |
---|
| 798 | |
---|
| 799 | *** Next reaction in 2 lines (products doubled) |
---|
| 800 | [kISOPO2NO31] ISOPO2 + NO3 -> 0.92*MACR+0.806*MVK+1.38*CH2O+1.728*HO2 ; 1.2e-12 |
---|
| 801 | [kISOPO2NO32] ISOPO2 + NO3 -> 2.0*NO2+0.272*XO2 ; 1.2e-12 |
---|
| 802 | |
---|
| 803 | *** Next reaction in 2 lines (products doubled) |
---|
| 804 | [kISOPO2HO21] ISOPO2 + HO2 -> 0.858*MVK+1.012*MACR+1.478*CH2O+1.734*HO2 ; 9.5e-14, 1300 |
---|
| 805 | [kISOPO2HO22] ISOPO2 + HO2 -> 2.0*XOOH+0.266*XO2 ; 9.5e-14, 1300 |
---|
| 806 | |
---|
| 807 | *** Next reaction in 2 lines (products doubled) |
---|
| 808 | [kISOPO2CH3O21] ISOPO2 + CH3O2 -> 0.41*MVK+0.702*MACR+1.82*CH2O+1.406*HO2 ; 6.65e-13 |
---|
| 809 | [kISOPO2CH3O22] ISOPO2 + CH3O2 -> 0.274*XO2+0.61*CH3OH ; 6.65e-13 |
---|
| 810 | |
---|
| 811 | *** Next reaction in 2 lines (products doubled) |
---|
| 812 | [kISOPO2CH3CO31] ISOPO2 + CH3CO3 -> 0.592*MVK+1.008*MACR+0.794*CH2O+1.16*HO2 ; 3.98e-12 |
---|
| 813 | [kISOPO2CH3CO32] ISOPO2 + CH3CO3 -> 0.396*XO2+0.55*CH3COOH+1.45*CH3O2+1.45*CO ; 3.98e-12 |
---|
| 814 | |
---|
| 815 | *** Next reaction in 2 lines (products doubled) |
---|
| 816 | [kISOPNO3NO1] ISOPNO3 + NO -> 2.412*NO2+1.588*HO2+0.144*CH2O+0.334*MACR ; 1.35e-12, 360 |
---|
| 817 | [kISOPNO3NO2] ISOPNO3 + NO -> 0.078*MVK+1.588*ONITR ; 1.35e-12, 360 |
---|
| 818 | |
---|
| 819 | *** Next reaction in 2 lines (products doubled) |
---|
| 820 | [kISOPNO3NO31] ISOPNO3 + NO3 -> 2.412*NO2+1.588*HO2+0.144*CH2O+0.334*MACR ; 1.2e-12 |
---|
| 821 | [kISOPNO3NO32] ISOPNO3 + NO3 -> 0.078*MVK+1.588*ONITR ; 1.2e-12 |
---|
| 822 | |
---|
| 823 | *** Next reaction in 2 lines (products doubled) |
---|
| 824 | [kISOPNO3HO21] ISOPNO3 + HO2 -> 2.0*XOOH+0.412*NO2+1.588*HO2+0.016*CH2O ; 9.5e-14, 1300 |
---|
| 825 | [kISOPNO3HO22] ISOPNO3 + HO2 -> 0.334*MACR+0.078*MVK+1.588*ONITR ; 9.5e-14, 1300 |
---|
| 826 | |
---|
| 827 | *** Next reaction in 2 lines (products doubled) |
---|
| 828 | [kISOPNO3CH3O21] ISOPNO3 + CH3O2 -> 0.12*NO2+1.422*HO2+1.394*CH2O+0.118*MACR ; 8.74549e-13 |
---|
| 829 | [kISOPNO3CH3O22] ISOPNO3 + CH3O2 -> 0.002*MVK+1.27*ONITR+0.61*CH3OH ; 8.74549e-13 |
---|
| 830 | * === end of isoprene cycle === |
---|
| 831 | |
---|
| 832 | * ========================== |
---|
| 833 | * === alpha-pinene cycle === |
---|
| 834 | * ========================== |
---|
| 835 | * 10% reduced |
---|
| 836 | [kAPINOH] APIN + OH -> APINO2; 2.0736e-11, 444 |
---|
| 837 | |
---|
| 838 | * APIN + O3 -> 0.125*O3OLSB + 0.56*OH + 0.56*APINO3 ; 1.01e-15, -732 |
---|
| 839 | * 15% increased |
---|
| 840 | * Now is above with SOA formation |
---|
| 841 | * [kAPINO3] APIN + O3 -> 0.125*O3OLSB + 0.56*OH + 0.56*APINO3 ; 1.1615e-15, -732 |
---|
| 842 | |
---|
| 843 | * Increased reactivity due to SOA: 1.19*1.59=1.8921 |
---|
| 844 | [kAPINNO3] APIN + NO3 -> APINO2 + NO2 ; 1.8921e-12, 490 |
---|
| 845 | [kAPINO2NO] APINO2 + NO -> NO2 + HO2 + PCHO ; 2.70e-12, 360 |
---|
| 846 | [kAPINO2NO3] APINO2 + NO3 -> NO2 + HO2 + PCHO ; 2.40e-12 |
---|
| 847 | [kAPINO2HO2] APINO2 + HO2 -> XOOH + HO2 + PCHO ; 1.9e-13, 1300 |
---|
| 848 | [kAPINO2CH3O2] APINO2 + CH3O2 -> 0.305*CH3OH + 1.085*CH2O + 0.39*PCHO + 0.39*HO2 ; 1.22e-13 |
---|
| 849 | |
---|
| 850 | *** Next reaction in 2 lines (products doubled) |
---|
| 851 | [kAPINO2CH3CO31] APINO2 + CH3CO3 -> 1.45*CO2+1.45*CH3O2+1.45*PCHO+1.45*HO2 ; 3.685e-13 |
---|
| 852 | [kAPINO2CH3CO32] APINO2 + CH3CO3 -> 0.55*CH3COOH ; 3.685e-13 |
---|
| 853 | |
---|
| 854 | [kAPINO3NO] APINO3 + NO -> 1.0*NO2 + 1.0*CO2 + 1.0*CH3COCH3 + 2.0*PROPEO2 ; 5.3e-12, 360 |
---|
| 855 | |
---|
| 856 | [kAPINO3NO3] APINO3 + NO3 -> 1.0*NO2 + 1.0*CO2 + 1.0*CH3COCH3 + 2.0*PROPEO2 ; 5.0e-12 |
---|
| 857 | |
---|
| 858 | [kAPINO3HO2] APINO3 + HO2 -> 0.3*O3+0.3*CH3COOH+0.7*CH3COOOH+0.7*O2 ; 4.3e-13, 1040 |
---|
| 859 | |
---|
| 860 | *** Next reaction in 2 lines (products doubled) |
---|
| 861 | [kAPINO3CH3O21] APINO3 + CH3O2 -> 0.67*CH2O+2.0*CO2+1.33*CH2O+1.33*HO2 ; 2.26e-12 |
---|
| 862 | [kAPINO3CH3O22] APINO3 + CH3O2 -> 1.33*CH3COCH3+2.66*PROPEO2 ; 2.26e-12 |
---|
| 863 | |
---|
| 864 | [kAPINO3CH3CO3] APINO3 + CH3CO3 -> 2.0*CO2 + 1.0*CH3O2 + 1.0*CH3COCH3 + 2.0*PROPEO2 ;4.6e-12, 530 |
---|
| 865 | |
---|
| 866 | [kAPINO3APINO3] APINO3 + APINO3 -> 2.0*CO2 + 2.0*CH3COCH3 + 4.0*PROPEO2 ; 2.3e-12, 530 |
---|
| 867 | |
---|
| 868 | * === end of alpha-pinene cycle === |
---|
| 869 | |
---|
| 870 | * ================================================ |
---|
| 871 | * === oxidation cycle of organic intermediates === |
---|
| 872 | * ================================================ |
---|
| 873 | [kMACROH] MACR + OH -> 0.5*MACRO2 + 0.5*MCO3 + 0.5*H2O ; 1.86e-11, 175 |
---|
| 874 | |
---|
| 875 | *** Next reaction in 2 lines (products trippled) |
---|
| 876 | [kMACRO31] MACR + O3 -> 1.6*CH3COCHO + 0.26*HO2 + 0.74*CO + 0.2*H2 ; 6.795e-16, -2112 |
---|
| 877 | [kMACRO32] MACR + O3 -> 0.68*CH2O + 0.4*OH + 0.28*CO2 + 0.7*O3OLSB ; 6.795e-16, -2112 |
---|
| 878 | |
---|
| 879 | [kMVKOH] MVK + OH -> MACRO2 ; 2.67e-12, 452 |
---|
| 880 | |
---|
| 881 | *** Next reaction in 2 lines (products trippled)) |
---|
| 882 | [kMVKO31] MVK + O3 -> 0.1*CH2O + 1.9*CH3COCHO + 0.16*OH + 0.3*HO2 ; 3.75495e-16, -1521 |
---|
| 883 | [kMVKO32] MVK + O3 -> 0.88*CO + 0.32*CO2 + 0.7*O3OLSB + 0.24*H2 ; 3.75495e-16, -1521 |
---|
| 884 | |
---|
| 885 | *** Next reaction in 2 lines (products doubled) |
---|
| 886 | [kMACRO2NO1] MACRO2 + NO -> 0.03*ONITR+1.97*NO2+1.97*HO2+0.316*CH2O ; 1.35e-12, 360 |
---|
| 887 | [kMACRO2NO2] MACRO2 + NO -> 0.316*CH3COCHO+1.656*CO+1.656*CH3COCHO ; 1.35e-12, 360 |
---|
| 888 | |
---|
| 889 | *** Next reaction in 2 lines (products doubled) |
---|
| 890 | [kMACRO2NO31] MACRO2 + NO3 -> 2.0*NO2+2.0*HO2+0.32*CH2O+0.32*CH3COCHO ; 1.2e-12 |
---|
| 891 | [kMACRO2NO32] MACRO2 + NO3 -> 1.68*CO+1.68*CH3COCHO ; 1.2e-12 |
---|
| 892 | |
---|
| 893 | [kMACRO2HO2] MACRO2 + HO2 -> MACROOH ; 1.9e-13, 1300 |
---|
| 894 | |
---|
| 895 | *** Next reaction in 2 lines (products doubled) |
---|
| 896 | [kMACRO2CH3O21] MACRO2 + CH3O2 -> 1.832*HO2+2.126*CH2O+0.916*CO+0.916*CH3COCHO ; 2.0644e-13 |
---|
| 897 | [kMACRO2CH3O22] MACRO2 + CH3O2 -> 0.458*CH3OH+0.916*CH3CHO ; 2.0644e-13 |
---|
| 898 | |
---|
| 899 | *** Next reaction in 2 lines (products trippled) |
---|
| 900 | [kMACRO2CH3CO31] MACRO2 + CH3CO3 -> 1.588*CO2 + 1.588*CH3O2 + 0.5*CO + 1.588*HO2 ; 1.2375e-12 |
---|
| 901 | [kMACRO2CH3CO32] MACRO2 + CH3CO3 -> 1.588*CH3COCHO + 0.412*CH3COOH + 0.824*CH3CHO + 1.088*CH2O ; 1.2375e-12 |
---|
| 902 | |
---|
| 903 | [kMACROOHOH] MACROOH + OH -> H2O + MACRO2 ; 1.9e-12, 190 |
---|
| 904 | [kMCO3NO] MCO3 + NO -> NO2 + CH2O + CH3CO3 ; 5.3e-12, 360 |
---|
| 905 | [kMCO3NO3] MCO3 + NO3 -> NO2 + CH2O + CH3CO3 ; 5.0e-12 |
---|
| 906 | [kMCO3HO2] MCO3 + HO2 -> 0.3*O3+0.3*CH3COOH+0.7*CH3COOOH+0.7*O2 ; 4.3e-13, 1040 |
---|
| 907 | |
---|
| 908 | [kMCO3CH3O2] MCO3 + CH3O2 -> 1.665*CH2O + 0.665*HO2 + 0.665*CH3CO3 + 0.665*CO2 ; 4.52e-12 |
---|
| 909 | |
---|
| 910 | [kMCO3CH3CO3] MCO3 + CH3CO3 -> 2.0*CO2 + 1.0*CH3O2 + 1.0*CH2O + 1.0*CH3CO3 ; 4.6e-12, 530 |
---|
| 911 | |
---|
| 912 | [kMCO3MCO3] MCO3 + MCO3 -> 2.0*CO2 + 2.0*CH2O + 2.0*CH3CO3 ; 2.3e-12, 530 |
---|
| 913 | |
---|
| 914 | * Tyndall,G.S. et al.; Int. J. Chem. Kinet. 27, 1009-1020 (1995) |
---|
| 915 | [kCH3COCHOOH] CH3COCHO + OH -> CH3CO3 + CO + H2O ; 8.4e-13, 830 |
---|
| 916 | |
---|
| 917 | [kCH3COCHONO3] CH3COCHO + NO3 -> HNO3 + CO + CH3CO3 ; 1.4e-12, -1860 |
---|
| 918 | [kPCHOOH] PCHO + OH -> PCO3 + H2O ; 9.1e-11 |
---|
| 919 | [kPCHONO3] PCHO + NO3 -> PCO3 + HNO3 ; 5.4e-14 |
---|
| 920 | |
---|
| 921 | [kPCO3NO] PCO3 + NO -> 1.0*NO2 + 1.0*CO2 + 1.0*XO2 + 1.0*PROPEO2 ; 5.3e-12, 360 |
---|
| 922 | |
---|
| 923 | [kPCO3NO3] PCO3 + NO3 -> 1.0*NO2 + 1.0*CO2 + 1.0*XO2 + 1.0*PROPEO2 ; 5.0e-12 |
---|
| 924 | |
---|
| 925 | [kPCO3HO2] PCO3 + HO2 -> 0.3*O3+0.7*O2+0.3*CH3COOH+0.7*CH3COOOH ; 4.3e-13, 1040 |
---|
| 926 | [kPCO3CH3O2] PCO3 + CH3O2 -> CH2O + 0.665*HO2 + 0.665*XO2 + 0.665*PROPEO2 ; 4.52e-12 |
---|
| 927 | |
---|
| 928 | [kPCO3CH3CO3] PCO3 + CH3CO3 -> 2.0*CO2 + 1.0*PROPEO2 + 1.0*XO2 + 1.0*CH3O2 ; 4.6e-12, 530 |
---|
| 929 | |
---|
| 930 | [kPCO3PCO3] PCO3 + PCO3 -> 2.0*CO2 + 2.0*PROPEO2 + 2.0*XO2 ; 2.3e-12, 530 |
---|
| 931 | * === end of organic intermediates === |
---|
| 932 | |
---|
| 933 | * ======================== |
---|
| 934 | * === organic nitrates === |
---|
| 935 | * ======================== |
---|
| 936 | *** Next reaction in 2 lines (products doubled) |
---|
| 937 | [kONITUOH1] ONITU + OH -> 1.388*ONITUO2+0.5*HNO3+0.5*HO2+0.6*CH3COCH3 ; 9.15e-13 |
---|
| 938 | [kONITUOH2] ONITU + OH -> 0.1*NO2 ; 9.15e-13 |
---|
| 939 | |
---|
| 940 | *** Next reaction in 2 lines (products doubled) |
---|
| 941 | [kONITUO2NO1] ONITUO2 + NO -> 2.588*NO2+0.8*HO2+0.79*XO2+1.412*ONITR ; 1.35e-12, 360 |
---|
| 942 | [kONITUO2NO2] ONITUO2 + NO -> 0.232*CH2O+0.772*CH3CHO+0.418*MEK ; 1.35e-12, 360 |
---|
| 943 | |
---|
| 944 | *** Next reaction in 2 lines (products doubled) |
---|
| 945 | [kONITUO2NO31] ONITUO2 + NO3 -> 2.588*NO2+0.8*HO2+0.79*XO2+1.412*ONITR ; 1.2e-12 |
---|
| 946 | [kONITUO2NO32] ONITUO2 + NO3 -> 0.232*CH2O+0.772*CH3CHO+0.418*MEK ; 1.2e-12 |
---|
| 947 | |
---|
| 948 | [kONITUO2HO2] ONITUO2 + HO2 -> 0.7*ONITR+0.3*ONITUO2 ; 1.9e-13, 1300 |
---|
| 949 | |
---|
| 950 | [kONITROH] ONITR + OH -> MCO3 + 0.75*HNO3 + 0.25*NO2 + 0.25*H2O; 1.5e-11 |
---|
| 951 | [kONITRNO3] ONITR + NO3 -> MCO3 + 0.4*HNO3 + 0.8*NO2 + 0.5*NO; 1.4e-12, -1860 |
---|
| 952 | * === end of organic nitrates === |
---|
| 953 | |
---|
| 954 | * ================================= |
---|
| 955 | * === methyl-ethyl-ketone cycle === |
---|
| 956 | * ================================= |
---|
| 957 | *** Next reaction in 2 lines (products doubled) |
---|
| 958 | [kMEKO2NO1] MEKO2 + NO -> 2.0*NO2+2.658*CH3CHO+1.2*CH3CO3+0.14*CH2O ; 1.35e-12, 360 |
---|
| 959 | [kMEKO2NO2] MEKO2 + NO -> 0.8*HO2+0.394*MEK ; 1.35e-12, 360 |
---|
| 960 | |
---|
| 961 | *** Next reaction in 2 lines (products doubled) |
---|
| 962 | [kMEKO2NO31] MEKO2 + NO3 -> 2.0*NO2+2.658*CH3CHO+1.2*CH3CO3+0.14*CH2O ; 1.2e-12 |
---|
| 963 | [kMEKO2NO32] MEKO2 + NO3 -> 0.8*HO2+0.394*MEK ; 1.2e-12 |
---|
| 964 | |
---|
| 965 | [kMEKO2HO2] MEKO2 + HO2 -> MEKOOH ; 1.9e-13, 1300 |
---|
| 966 | |
---|
| 967 | *** Next reaction in 2 lines (products doubled) |
---|
| 968 | [kMEKO2CH3O21] MEKO2 + CH3O2 -> 0.61*CH3OH+1.398*HO2+1.5*CH2O+0.16*CH3CO3 ; 4.882e-13 |
---|
| 969 | [kMEKO2CH3O22] MEKO2 + CH3O2 -> 0.59*MEK+0.084*CH3COCHO+1.29*CH3CHO ; 4.882e-13 |
---|
| 970 | |
---|
| 971 | [kMEKOOHOH] MEKOOH + OH -> H2O + MEKO2; 1.9e-12, 190 |
---|
| 972 | * === end of methyl-ethyl-ketone cycle === |
---|
| 973 | |
---|
| 974 | * =================================== |
---|
| 975 | * === lumped alkene species cycle === |
---|
| 976 | * =================================== |
---|
| 977 | [kALKENOH] ALKEN + OH -> ALKENO2 ; 9.19e-12, -522.22 |
---|
| 978 | |
---|
| 979 | *** Next reaction in 3 lines (products tripled) |
---|
| 980 | [kALKENO31] ALKEN + O3 -> 2.7*CH3CHO + 0.27*CH3COCH3 + 1.26*OH + 0.84*O3OLSB ; 1.64e-15, -1054.84 |
---|
| 981 | [kALKENO32] ALKEN + O3 -> 0.69*ALKENO2 + 0.24*CH4 + 0.06*C2H6 + 0.9*CO ; 1.64e-15, -1054.84 |
---|
| 982 | [kALKENO33] ALKEN + O3 -> 0.03*CH3OH + 1.02*CH3O2 ; 1.64e-15, -1054.84 |
---|
| 983 | |
---|
| 984 | |
---|
| 985 | [kALKENNO3] ALKEN + NO3 -> ALKENO2 + NO2 ; 3.95e-12, -327.93 |
---|
| 986 | |
---|
| 987 | *** Next reaction in 2 lines (products doubled) |
---|
| 988 | [kALKENO2NO1] ALKENO2 + NO -> 0.068*ONITU+1.932*NO2+1.932*HO2+0.812*CH2O ; 1.35e-12, 360 |
---|
| 989 | [kALKENO2NO2] ALKENO2 + NO -> 3.332*CH3CHO+0.76*CH3COCH3 ; 1.35e-12, 360 |
---|
| 990 | |
---|
| 991 | *** Next reaction in 2 lines (products doubled) |
---|
| 992 | [kALKENO2NO31] ALKENO2 + NO3 -> 2.0*NO2+2.0*HO2+0.84*CH2O+1.448*CH3CHO ; 1.2e-12, 360 |
---|
| 993 | [kALKENO2NO32] ALKENO2 + NO3 -> 0.786*CH3COCH3 ; 1.2e-12, 360 |
---|
| 994 | |
---|
| 995 | [kALKENO2HO2] ALKENO2 + HO2 -> ALKENOOH ; 1.9e-13, 1300 |
---|
| 996 | |
---|
| 997 | *** Next reaction in 2 lines (products doubled) |
---|
| 998 | [kALKENO2CH3O21] ALKENO2 + CH3O2 -> 0.61*CH3OH+0.78*HO2+1.39*CH2O+0.78*HO2 ; 6.1e-14 |
---|
| 999 | [kALKENO2CH3O22] ALKENO2 + CH3O2 -> 0.128*CH2O+0.53*CH3CHO+0.12*CH3COCH3+0.61*CH3COCHO ; 6.1e-14 |
---|
| 1000 | |
---|
| 1001 | [kALKENOOHOH] ALKENOOH + OH -> H2O + ALKENO2 ; 1.9e-12, 190 |
---|
| 1002 | * === end of lumped alkene species cycle === |
---|
| 1003 | |
---|
| 1004 | * =================================== |
---|
| 1005 | * === lumped alkane species cycle === |
---|
| 1006 | * =================================== |
---|
| 1007 | *** Next reaction in 3 lines (products tripled) |
---|
| 1008 | [kALKANO2NO1] ALKANO2 + NO -> 0.021*CH2O+1.086*CH3CHO+0.867*CH3COCH3+1.236*MEK ; 9.0e-13, 360 |
---|
| 1009 | [kALKANO2NO2] ALKANO2 + NO -> 0.246*CH3O2+0.804*XO2+2.397*NO2+1.347*HO2 ; 9.0e-13, 360 |
---|
| 1010 | [kALKANO2NO3] ALKANO2 + NO -> 0.6*ONITU ; 9.0e-13, 360 |
---|
| 1011 | |
---|
| 1012 | *** Next reaction in 2 lines (products doubled) |
---|
| 1013 | [kALKANO2NO31] ALKANO2 + NO3 -> 2.0*NO2+1.124*HO2+0.672*XO2+0.202*CH3O2 ; 1.2e-12 |
---|
| 1014 | [kALKANO2NO32] ALKANO2 + NO3 -> 1.034*MEK+0.002*CH2O+0.908*CH3CHO ; 1.2e-12 |
---|
| 1015 | |
---|
| 1016 | [kALKANO2HO2] ALKANO2 + HO2 -> ALKANOOH ; 1.9e-13, 1300 |
---|
| 1017 | |
---|
| 1018 | *** Next reaction in 2 lines (products doubled) |
---|
| 1019 | [kALKANO2CH3O21] ALKANO2 + CH3O2 -> 0.61*CH3OH+1.252*HO2+1.392*CH2O+0.63*MEK ; 1.88262e-13 |
---|
| 1020 | [kALKANO2CH3O22] ALKANO2 + CH3O2 -> 0.28*XO2+0.024*CH3O2+0.09*CH3COCH3+0.884*CH3CHO ; 1.88262e-13 |
---|
| 1021 | |
---|
| 1022 | [kALKANOOHOH] ALKANOOH + OH -> H2O + ALKANO2 ; 1.9e-12, 190 |
---|
| 1023 | * === end of lumped alkane species cycle === |
---|
| 1024 | |
---|
| 1025 | * ===================================== |
---|
| 1026 | * === lumped aromatic species cycle === |
---|
| 1027 | * ===================================== |
---|
| 1028 | * For SOA species, factors 0.032 and 0.116 are the mass based yields 0.049 and 0.178 |
---|
| 1029 | * corrected based on molecular weights, 97.80/150 |
---|
| 1030 | [kAROMOH] AROM + OH -> 0.77*AROMO2+0.212*HO2+0.032*ARp1g+0.116*ARp2g ; 1.01e-11, 58.45 |
---|
| 1031 | |
---|
| 1032 | *** Next reaction in 2 lines (products doubled) |
---|
| 1033 | [kAROMO2NO1] AROMO2 + NO -> 2.0*NO2+3.316*HO2+0.846*CH3COCHO+1.316*CO ; 1.35e-12, 360 |
---|
| 1034 | [kAROMO2NO2] AROMO2 + NO -> 1.316*CH3CO3 ; 1.35e-12, 360 |
---|
| 1035 | |
---|
| 1036 | *** Next reaction in 2 lines (products doubled) |
---|
| 1037 | [kAROMO2NO31] AROMO2 + NO3 -> 2.0*NO2+3.316*HO2+0.846*CH3COCHO+1.316*CO ; 1.2e-12 |
---|
| 1038 | [kAROMO2NO32] AROMO2 + NO3 -> 1.316*CH3CO3 ; 1.2e-12 |
---|
| 1039 | |
---|
| 1040 | [kAROMO2HO2] AROMO2 + HO2 -> AROMOOH ; 1.9e-13, 1300 |
---|
| 1041 | |
---|
| 1042 | *** Next reaction in 2 lines (products doubled) |
---|
| 1043 | [kAROMO2CH3O21] AROMO2 + CH3O2 -> 0.61*CH3OH+1.83*HO2+1.39*CH2O+0.174*CH3COCHO ; 1.155e-13 |
---|
| 1044 | [kAROMO2CH3O22] AROMO2 + CH3O2 -> 0.27*CO+0.27*CH3CO3 ; 1.155e-13 |
---|
| 1045 | |
---|
| 1046 | [kAROMOOHOHAROMO] AROMOOH + OH -> H2O + AROMO2 ; 1.9e-12, 190 |
---|
| 1047 | * === end of lumped aromatic species cycle === |
---|
| 1048 | |
---|
| 1049 | * ===================================== |
---|
| 1050 | * === extra organic peroxy radicals === |
---|
| 1051 | * ===================================== |
---|
| 1052 | [kXO2NO] XO2 + NO -> NO2 + HO2 ; 2.7e-12, 360 |
---|
| 1053 | [kXO2NO3] XO2 + NO3 -> NO2 + HO2 ; 2.4e-12 |
---|
| 1054 | [kXO2HO2] XO2 + HO2 -> XOOH ; 1.9e-13, 1300 |
---|
| 1055 | [kXO2CH3O2] XO2 + CH3O2 -> 0.305*CH3OH + 0.39*HO2 + 0.695*CH2O ; 1.22e-13 |
---|
| 1056 | [kXO2CH3CO3] XO2 + CH3CO3 -> 0.275*CH3COOH + 0.725*CO2 + 0.725*CH3O2 ; 7.37e-13 |
---|
| 1057 | [kXOOHOHXO2] XOOH + OH -> H2O + XO2 ; 1.9e-12, 190 |
---|
| 1058 | * === end of extra organic peroxy radicals === |
---|
| 1059 | |
---|
| 1060 | * other reactions (mostly for testing) |
---|
| 1061 | * N + NO2 -> N2O + O ; 5.8e-12, 220 |
---|
| 1062 | |
---|
| 1063 | * ========================================================= |
---|
| 1064 | * === end of section with Arrhenius type rate constants === |
---|
| 1065 | * ========================================================= |
---|
| 1066 | |
---|
| 1067 | |
---|
| 1068 | [kH2SOH] H2S + OH -> SO2 + HO2 ; 6.e-12, -75. |
---|
| 1069 | [kDMSOHCH2O] DMS + OH -> SO2 + 2 CH2O ; 9.6e-12, -234. |
---|
| 1070 | [kDMSNO3] DMS + NO3 -> SO2 +NO2 + 2 CH2O ; 1.9e-13,500 |
---|
| 1071 | [kDMSOOH] DMSO + OH -> 0.6*SO2 + 0.4*ASMSAM + 1.5*CH2O ; 5.8e-11, 0. |
---|
| 1072 | [kAIBCM] AIBCM -> ASBCM ; 9.645e-06 |
---|
| 1073 | [kAIPOMM] AIPOMM -> ASPOMM ; 9.645e-06 |
---|
| 1074 | [kAIN] AIN -> ASN ; 9.645e-06 |
---|
| 1075 | |
---|
| 1076 | * PLUME fuel tracers |
---|
| 1077 | [kCAIRFUEL] CAIRFUEL -> ; 1.38889e-4 |
---|
| 1078 | [kMAIRFUEL] MAIRFUEL -> ; 1.38889e-4 |
---|
| 1079 | |
---|
| 1080 | * see usrrxt.F for these reactions |
---|
| 1081 | [kCAIRFUELNO] CAIRFUEL -> CAIRFUEL + NO |
---|
| 1082 | [kMAIRFUELNO] MAIRFUEL -> MAIRFUEL + NO |
---|
| 1083 | [kCAIRFUELO31] CAIRFUEL -> CAIRFUEL + O3 |
---|
| 1084 | [kMAIRFUELO31] MAIRFUEL -> MAIRFUEL + O3 |
---|
| 1085 | [kCAIRFUELO32] CAIRFUEL + O3 -> CAIRFUEL |
---|
| 1086 | [kMAIRFUELO32] MAIRFUEL + O3 -> MAIRFUEL |
---|
| 1087 | [kCAIRFUELHNO3] CAIRFUEL -> CAIRFUEL + HNO3 |
---|
| 1088 | [kMAIRFUELHNO3] MAIRFUEL -> MAIRFUEL + HNO3 |
---|
| 1089 | |
---|
| 1090 | * New set of gas phase reactions for NH3/NH4/NO3. DH. |
---|
| 1091 | |
---|
| 1092 | [kNH3OH] NH3 + OH -> NH2 + H2O ; 1.7e-12, -710. |
---|
| 1093 | [kNH3O1D] NH3 + O1D -> NH2 + OH ; 2.5e-10 |
---|
| 1094 | [kNH2NO2] NH2 + NO2 -> N2O + H2O ; 2.1e-12, 650. |
---|
| 1095 | [kNH2HO2] NH2 + HO2 -> NH3 + O2 ; 3.4e-11 |
---|
| 1096 | [kNH2NO] NH2 + NO -> N2 + H2O ; 4.0e-12, 450. |
---|
| 1097 | [kNH2O3] NH2 + O3 -> NH2O + O2 ; 4.3e-12, -930. |
---|
| 1098 | [kNH2O2] NH2 + O2 -> NO + H2O ; 6.0e-21 |
---|
| 1099 | [kNH2OO3] NH2O + O3 -> NH2 + 2 O2 ; 4.3e-12, -930. |
---|
| 1100 | [kNH2ONO] NH2O + NO -> NH2 + NO2 ; 4.0e-12, 450. |
---|
| 1101 | |
---|
| 1102 | * Second set of heterogeneous reactions. DH. |
---|
| 1103 | |
---|
| 1104 | * On sulfates |
---|
| 1105 | [kNH3SO4] NH3 -> ASNH4M |
---|
| 1106 | |
---|
| 1107 | * On seasalt |
---|
| 1108 | [kN2O5SS] N2O5 -> |
---|
| 1109 | [kHNO3SS1] HNO3 -> CSNO3M |
---|
| 1110 | [kHNO3SS2] HNO3 -> CSNO3M |
---|
| 1111 | [kNO2SS] NO2 -> 0.5*HNO3+0.5*HNO2 |
---|
| 1112 | [kNO3SS] NO3 -> HNO3 |
---|
| 1113 | [kHO2SS] HO2 -> 0.5*H2O2 + 0.5*O2 |
---|
| 1114 | [kO3SS] O3 -> |
---|
| 1115 | [kSO2SS] SO2 -> CSSO4M |
---|
| 1116 | |
---|
| 1117 | * On dust |
---|
| 1118 | [kN2O5DUST] N2O5 -> 2 * HNO3 |
---|
| 1119 | [kNO2DUST] NO2 -> 0.5*HNO3+0.5*HNO2 |
---|
| 1120 | [kNO3DUST] NO3 -> HNO3 |
---|
| 1121 | [kHO2DUST] HO2 -> 0.5*H2O2 + 0.5*O2 |
---|
| 1122 | [kO3DUST] O3 -> |
---|
| 1123 | [kSO2DUST] SO2 -> CSSO4M |
---|
| 1124 | [kHNO3DUST] HNO3 -> CINO3M |
---|
| 1125 | |
---|
| 1126 | * On carbonaceaous aerosols |
---|
| 1127 | [kN2O5BC] N2O5 -> 2 * HNO3 |
---|
| 1128 | [kNO2BC] NO2 -> HNO2 |
---|
| 1129 | [kNO3BC] NO3 -> HNO3 |
---|
| 1130 | [kHO2BC] HO2 -> 0.5*H2O2 + 0.5*O2 |
---|
| 1131 | [kO3BC] O3 -> |
---|
| 1132 | [kSO2BC] SO2 -> |
---|
| 1133 | [kHNO3BC] HNO3 -> HNO2 |
---|
| 1134 | |
---|
| 1135 | * Note the following reactions do not appear in this list but are hard coded in INCA since they involve |
---|
| 1136 | * equilibrium with the aqueous phase. DH. |
---|
| 1137 | * |
---|
| 1138 | * SO2 + O3 -> ASSO4M |
---|
| 1139 | * SO2 + H2O2 -> ASSO4M |
---|
| 1140 | * NH3 + HNO3 -> ASNH4M + ASNO3M |
---|
| 1141 | |
---|
| 1142 | Endent |
---|
| 1143 | |
---|
| 1144 | Heterogeneous |
---|
| 1145 | HNO3 |
---|
| 1146 | H2O2 |
---|
| 1147 | HNO2 |
---|
| 1148 | HNO4 |
---|
| 1149 | CH3OOH |
---|
| 1150 | CH3OH |
---|
| 1151 | CH2O |
---|
| 1152 | C2H5OH |
---|
| 1153 | CH3CHO |
---|
| 1154 | CH3COOH |
---|
| 1155 | CH3COOOH |
---|
| 1156 | CH3COCHO |
---|
| 1157 | CH3COCH3 |
---|
| 1158 | C2H5OOH |
---|
| 1159 | MVK |
---|
| 1160 | MEK |
---|
| 1161 | PAN |
---|
| 1162 | ONITR |
---|
| 1163 | ONITU |
---|
| 1164 | |
---|
| 1165 | C3H7OOH |
---|
| 1166 | PROPEOOH |
---|
| 1167 | PROPAOOH |
---|
| 1168 | PCHO |
---|
| 1169 | MACROOH |
---|
| 1170 | MEKOOH |
---|
| 1171 | ALKANOOH |
---|
| 1172 | ALKENOOH |
---|
| 1173 | AROMOOH |
---|
| 1174 | XOOH |
---|
| 1175 | |
---|
| 1176 | SO2 |
---|
| 1177 | H2S |
---|
| 1178 | DMS |
---|
| 1179 | DMSO |
---|
| 1180 | NH3 |
---|
| 1181 | |
---|
| 1182 | ASSO4M |
---|
| 1183 | ASNH4M |
---|
| 1184 | ASNO3M |
---|
| 1185 | CSNO3M |
---|
| 1186 | CINO3M |
---|
| 1187 | |
---|
| 1188 | APp1g |
---|
| 1189 | APp2g |
---|
| 1190 | ARp1g |
---|
| 1191 | ARp2g |
---|
| 1192 | |
---|
| 1193 | Pb210 |
---|
| 1194 | Endent |
---|
| 1195 | |
---|
| 1196 | Ext Forcing |
---|
| 1197 | NO |
---|
| 1198 | O3L |
---|
| 1199 | COLD |
---|
| 1200 | H2 |
---|
| 1201 | CAIRFUEL |
---|
| 1202 | MAIRFUEL |
---|
| 1203 | SO2 |
---|
| 1204 | ASBCM |
---|
| 1205 | AIBCM |
---|
| 1206 | ASPOMM |
---|
| 1207 | AIPOMM |
---|
| 1208 | ASSO4M |
---|
| 1209 | ASN |
---|
| 1210 | AIN |
---|
| 1211 | |
---|
| 1212 | N2O |
---|
| 1213 | CH4 |
---|
| 1214 | CO |
---|
| 1215 | MCF |
---|
| 1216 | CH3OH |
---|
| 1217 | C2H5OH |
---|
| 1218 | C2H6 |
---|
| 1219 | C3H8 |
---|
| 1220 | ALKAN |
---|
| 1221 | C2H4 |
---|
| 1222 | C3H6 |
---|
| 1223 | C2H2 |
---|
| 1224 | ALKEN |
---|
| 1225 | AROM |
---|
| 1226 | CH2O |
---|
| 1227 | CH3CHO |
---|
| 1228 | CH3COCH3 |
---|
| 1229 | MEK |
---|
| 1230 | MVK |
---|
| 1231 | MACR |
---|
| 1232 | CH3COOH |
---|
| 1233 | ISOP |
---|
| 1234 | APIN |
---|
| 1235 | NH3 |
---|
| 1236 | H2S |
---|
| 1237 | |
---|
| 1238 | Endent |
---|
| 1239 | |
---|
| 1240 | ENDPAR |
---|
| 1241 | |
---|
| 1242 | |
---|
| 1243 | TRANSPORT |
---|
| 1244 | |
---|
| 1245 | hor-advect |
---|
| 1246 | |
---|
| 1247 | O3, O, O1D, Rn222, Pb210 |
---|
| 1248 | MCF, O3I, O3S, H2 |
---|
| 1249 | H2O2, N2O, NO |
---|
| 1250 | NO2, NO3, HNO2 |
---|
| 1251 | HNO3, HNO4, N2O5 |
---|
| 1252 | CH4 |
---|
| 1253 | CO,CH3OOH, CH3OH |
---|
| 1254 | CH2O, C2H6, C2H4 |
---|
| 1255 | C3H8, C3H6,C2H2 |
---|
| 1256 | ISOP, APIN |
---|
| 1257 | C2H5OH, CH3CHO |
---|
| 1258 | CH3COOH, CH3COOOH |
---|
| 1259 | CH3COCHO |
---|
| 1260 | CH3COCH3, C2H5OOH |
---|
| 1261 | C3H7OOH, PROPEOOH |
---|
| 1262 | PROPAOOH, PAN, MPAN |
---|
| 1263 | MACR, MVK |
---|
| 1264 | O3OLSB, MEK, PCHO |
---|
| 1265 | ISOPNO3, APINO3 |
---|
| 1266 | APINPAN, PCO3PAN |
---|
| 1267 | ONITU, ONITR |
---|
| 1268 | ALKAN, ALKEN, AROM |
---|
| 1269 | MACROOH, MEKOOH |
---|
| 1270 | ALKANOOH, ALKENOOH |
---|
| 1271 | AROMOOH, XOOH |
---|
| 1272 | |
---|
| 1273 | SO2, H2S, DMS, DMSO |
---|
| 1274 | CIDUSTM, CIN |
---|
| 1275 | AIBCM, AIPOMM, AIN |
---|
| 1276 | CSSSM, CSSO4M |
---|
| 1277 | CSMSAM, CSN |
---|
| 1278 | ASSSM, ASBCM, ASPOMM |
---|
| 1279 | ASSO4M, ASMSAM |
---|
| 1280 | ASN, SSSSM, SSN |
---|
| 1281 | |
---|
| 1282 | CAIRFUEL |
---|
| 1283 | MAIRFUEL |
---|
| 1284 | O3L |
---|
| 1285 | COLD |
---|
| 1286 | |
---|
| 1287 | * Stratospheric Version |
---|
| 1288 | CH3 |
---|
| 1289 | HCO |
---|
| 1290 | |
---|
| 1291 | NH3, NH2, NH2O |
---|
| 1292 | CINO3M, CSNO3M |
---|
| 1293 | ASNH4M, ASNO3M |
---|
| 1294 | |
---|
| 1295 | APp1g, APp2g |
---|
| 1296 | ARp1g, ARp2g |
---|
| 1297 | ASAPp1a, ASAPp2a |
---|
| 1298 | ASARp1a, ASARp2a |
---|
| 1299 | |
---|
| 1300 | * All |
---|
| 1301 | endlst |
---|
| 1302 | |
---|
| 1303 | ver-advect |
---|
| 1304 | |
---|
| 1305 | O3, O, O1D, Rn222, Pb210 |
---|
| 1306 | MCF, O3I, O3S, H2 |
---|
| 1307 | H2O2, N2O, NO |
---|
| 1308 | NO2, NO3, HNO2 |
---|
| 1309 | HNO3, HNO4, N2O5 |
---|
| 1310 | CH4 |
---|
| 1311 | CO,CH3OOH, CH3OH |
---|
| 1312 | CH2O, C2H6, C2H4 |
---|
| 1313 | C3H8, C3H6,C2H2 |
---|
| 1314 | ISOP, APIN |
---|
| 1315 | C2H5OH, CH3CHO |
---|
| 1316 | CH3COOH, CH3COOOH |
---|
| 1317 | CH3COCHO |
---|
| 1318 | CH3COCH3, C2H5OOH |
---|
| 1319 | C3H7OOH, PROPEOOH |
---|
| 1320 | PROPAOOH, PAN, MPAN |
---|
| 1321 | MACR, MVK |
---|
| 1322 | O3OLSB, MEK, PCHO |
---|
| 1323 | ISOPNO3, APINO3 |
---|
| 1324 | APINPAN, PCO3PAN |
---|
| 1325 | ONITU, ONITR |
---|
| 1326 | ALKAN, ALKEN, AROM |
---|
| 1327 | MACROOH, MEKOOH |
---|
| 1328 | ALKANOOH, ALKENOOH |
---|
| 1329 | AROMOOH, XOOH |
---|
| 1330 | |
---|
| 1331 | SO2, H2S, DMS, DMSO |
---|
| 1332 | CIDUSTM, CIN |
---|
| 1333 | AIBCM, AIPOMM, AIN |
---|
| 1334 | CSSSM, CSSO4M |
---|
| 1335 | CSMSAM, CSN |
---|
| 1336 | ASSSM, ASBCM, ASPOMM |
---|
| 1337 | ASSO4M, ASMSAM |
---|
| 1338 | ASN, SSSSM, SSN |
---|
| 1339 | |
---|
| 1340 | CAIRFUEL |
---|
| 1341 | MAIRFUEL |
---|
| 1342 | O3L |
---|
| 1343 | COLD |
---|
| 1344 | |
---|
| 1345 | * Stratospheric Version |
---|
| 1346 | CH3 |
---|
| 1347 | HCO |
---|
| 1348 | NH3, NH2, NH2O |
---|
| 1349 | CINO3M, CSNO3M |
---|
| 1350 | ASNH4M, ASNO3M |
---|
| 1351 | |
---|
| 1352 | APp1g, APp2g |
---|
| 1353 | ARp1g, ARp2g |
---|
| 1354 | ASAPp1a, ASAPp2a |
---|
| 1355 | ASARp1a, ASARp2a |
---|
| 1356 | |
---|
| 1357 | * All |
---|
| 1358 | endlst |
---|
| 1359 | |
---|
| 1360 | convection |
---|
| 1361 | |
---|
| 1362 | O3, O, O1D, Rn222, Pb210 |
---|
| 1363 | MCF, O3I, O3S, H2 |
---|
| 1364 | H2O2, N2O, NO |
---|
| 1365 | NO2, NO3, HNO2 |
---|
| 1366 | HNO3, HNO4, N2O5 |
---|
| 1367 | CH4 |
---|
| 1368 | CO,CH3OOH, CH3OH |
---|
| 1369 | CH2O, C2H6, C2H4 |
---|
| 1370 | C3H8, C3H6,C2H2 |
---|
| 1371 | ISOP, APIN |
---|
| 1372 | C2H5OH, CH3CHO |
---|
| 1373 | CH3COOH, CH3COOOH |
---|
| 1374 | CH3COCHO |
---|
| 1375 | CH3COCH3, C2H5OOH |
---|
| 1376 | C3H7OOH, PROPEOOH |
---|
| 1377 | PROPAOOH, PAN, MPAN |
---|
| 1378 | MACR, MVK |
---|
| 1379 | O3OLSB, MEK, PCHO |
---|
| 1380 | ISOPNO3, APINO3 |
---|
| 1381 | APINPAN, PCO3PAN |
---|
| 1382 | ONITU, ONITR |
---|
| 1383 | ALKAN, ALKEN, AROM |
---|
| 1384 | MACROOH, MEKOOH |
---|
| 1385 | ALKANOOH, ALKENOOH |
---|
| 1386 | AROMOOH, XOOH |
---|
| 1387 | |
---|
| 1388 | SO2, H2S, DMS, DMSO |
---|
| 1389 | CIDUSTM, CIN |
---|
| 1390 | AIBCM, AIPOMM, AIN |
---|
| 1391 | CSSSM, CSSO4M |
---|
| 1392 | CSMSAM, CSN |
---|
| 1393 | ASSSM, ASBCM, ASPOMM |
---|
| 1394 | ASSO4M, ASMSAM |
---|
| 1395 | ASN, SSSSM, SSN |
---|
| 1396 | |
---|
| 1397 | CAIRFUEL |
---|
| 1398 | MAIRFUEL |
---|
| 1399 | O3L |
---|
| 1400 | COLD |
---|
| 1401 | |
---|
| 1402 | * Stratospheric Version |
---|
| 1403 | CH3 |
---|
| 1404 | HCO |
---|
| 1405 | NH3, NH2, NH2O |
---|
| 1406 | CINO3M, CSNO3M |
---|
| 1407 | ASNH4M, ASNO3M |
---|
| 1408 | |
---|
| 1409 | APp1g, APp2g |
---|
| 1410 | ARp1g, ARp2g |
---|
| 1411 | ASAPp1a, ASAPp2a |
---|
| 1412 | ASARp1a, ASARp2a |
---|
| 1413 | |
---|
| 1414 | * All |
---|
| 1415 | endlst |
---|
| 1416 | |
---|
| 1417 | pblayer |
---|
| 1418 | |
---|
| 1419 | O3, O, O1D, Rn222, Pb210 |
---|
| 1420 | MCF, O3I, O3S, H2 |
---|
| 1421 | H2O2, N2O, NO |
---|
| 1422 | NO2, NO3, HNO2 |
---|
| 1423 | HNO3, HNO4, N2O5 |
---|
| 1424 | CH4 |
---|
| 1425 | CO,CH3OOH, CH3OH |
---|
| 1426 | CH2O, C2H6, C2H4 |
---|
| 1427 | C3H8, C3H6,C2H2 |
---|
| 1428 | ISOP, APIN |
---|
| 1429 | C2H5OH, CH3CHO |
---|
| 1430 | CH3COOH, CH3COOOH |
---|
| 1431 | CH3COCHO |
---|
| 1432 | CH3COCH3, C2H5OOH |
---|
| 1433 | C3H7OOH, PROPEOOH |
---|
| 1434 | PROPAOOH, PAN, MPAN |
---|
| 1435 | MACR, MVK |
---|
| 1436 | O3OLSB, MEK, PCHO |
---|
| 1437 | ISOPNO3, APINO3 |
---|
| 1438 | APINPAN, PCO3PAN |
---|
| 1439 | ONITU, ONITR |
---|
| 1440 | ALKAN, ALKEN, AROM |
---|
| 1441 | MACROOH, MEKOOH |
---|
| 1442 | ALKANOOH, ALKENOOH |
---|
| 1443 | AROMOOH, XOOH |
---|
| 1444 | |
---|
| 1445 | H2, SO2, H2S, DMS, DMSO |
---|
| 1446 | CIDUSTM, CIN |
---|
| 1447 | AIBCM, AIPOMM, AIN |
---|
| 1448 | CSSSM, CSSO4M |
---|
| 1449 | CSMSAM, CSN |
---|
| 1450 | ASSSM, ASBCM, ASPOMM |
---|
| 1451 | ASSO4M, ASMSAM |
---|
| 1452 | ASN, SSSSM, SSN |
---|
| 1453 | |
---|
| 1454 | CAIRFUEL |
---|
| 1455 | MAIRFUEL |
---|
| 1456 | O3L |
---|
| 1457 | COLD |
---|
| 1458 | |
---|
| 1459 | * Stratospheric Version |
---|
| 1460 | CH3 |
---|
| 1461 | HCO |
---|
| 1462 | NH3, NH2, NH2O |
---|
| 1463 | CINO3M, CSNO3M |
---|
| 1464 | ASNH4M, ASNO3M |
---|
| 1465 | |
---|
| 1466 | APp1g, APp2g |
---|
| 1467 | ARp1g, ARp2g |
---|
| 1468 | ASAPp1a, ASAPp2a |
---|
| 1469 | ASARp1a, ASARp2a |
---|
| 1470 | |
---|
| 1471 | * All |
---|
| 1472 | endlst |
---|
| 1473 | |
---|
| 1474 | ENDPAR |
---|
| 1475 | |
---|
| 1476 | |
---|
| 1477 | SIMULATION PARAMETERS |
---|
| 1478 | |
---|
| 1479 | Spatial Dimensions |
---|
| 1480 | Longitude points = XNBPOINT |
---|
| 1481 | Latitude points = 1 |
---|
| 1482 | Vertical points = XLEV |
---|
| 1483 | GCM long = XLON |
---|
| 1484 | GCM lat = XLAT |
---|
| 1485 | Endent |
---|
| 1486 | |
---|
| 1487 | Numerical Control |
---|
| 1488 | Implicit Iterations = 30 |
---|
| 1489 | EBI Iterations = 35 |
---|
| 1490 | Endent |
---|
| 1491 | |
---|
| 1492 | Surface Flux |
---|
| 1493 | N2O |
---|
| 1494 | CH4 |
---|
| 1495 | CO |
---|
| 1496 | H2 |
---|
| 1497 | NO |
---|
| 1498 | MCF |
---|
| 1499 | C2H5OH |
---|
| 1500 | C2H6 |
---|
| 1501 | C3H8 |
---|
| 1502 | ALKAN |
---|
| 1503 | C2H4 |
---|
| 1504 | C3H6 |
---|
| 1505 | ALKEN |
---|
| 1506 | C2H2 |
---|
| 1507 | AROM |
---|
| 1508 | CH2O |
---|
| 1509 | CH3CHO |
---|
| 1510 | CH3COCH3 |
---|
| 1511 | MEK |
---|
| 1512 | MVK |
---|
| 1513 | CH3COOH |
---|
| 1514 | ISOP |
---|
| 1515 | APIN |
---|
| 1516 | |
---|
| 1517 | |
---|
| 1518 | SO2,H2S,DMS |
---|
| 1519 | ASSO4M |
---|
| 1520 | NH3 |
---|
| 1521 | |
---|
| 1522 | Endent |
---|
| 1523 | |
---|
| 1524 | |
---|
| 1525 | Version Options |
---|
| 1526 | machine = sx5 |
---|
| 1527 | work dir = $QSUB_WORKDIR/run |
---|
| 1528 | subfile = lmdz.job |
---|
| 1529 | multitask = off |
---|
| 1530 | norms = off |
---|
| 1531 | fixer = off |
---|
| 1532 | cpus = 1 |
---|
| 1533 | relhum = on |
---|
| 1534 | geoheight = on |
---|
| 1535 | userhook = on |
---|
| 1536 | namemod = on |
---|
| 1537 | transmod = on |
---|
| 1538 | tavgprnt = on |
---|
| 1539 | modules = on |
---|
| 1540 | netcdfdouble = on |
---|
| 1541 | Endent |
---|
| 1542 | |
---|
| 1543 | Execution Options |
---|
| 1544 | Qsub file = yes |
---|
| 1545 | Endent |
---|
| 1546 | |
---|
| 1547 | Job Control |
---|
| 1548 | Simulation length = 180d |
---|
| 1549 | Simulation Time Step = 1200 |
---|
| 1550 | Cray Time Limit = 200h |
---|
| 1551 | Cray Memory = 120 |
---|
| 1552 | Case = test |
---|
| 1553 | Restart = true |
---|
| 1554 | Crayque = reg |
---|
| 1555 | Endent |
---|
| 1556 | |
---|
| 1557 | Inputs |
---|
| 1558 | Start time = 2Y:01Mon:4d |
---|
| 1559 | Dynamics MSS file = /STACY/ccm2/fo02/hist/h0023 |
---|
| 1560 | Dynhisttape = short |
---|
| 1561 | Multi level fields = 15 |
---|
| 1562 | Single level fields = 6 |
---|
| 1563 | Ic MSS file = /DIDIER/ctm/mozv1std/hist/h000 |
---|
| 1564 | Endent |
---|
| 1565 | |
---|
| 1566 | Outputs |
---|
| 1567 | Write frequency = 1d |
---|
| 1568 | Start File Number = 001 |
---|
| 1569 | Density = 4 |
---|
| 1570 | Retention time = 1y |
---|
| 1571 | |
---|
| 1572 | Species |
---|
| 1573 | Inst |
---|
| 1574 | Endlst |
---|
| 1575 | Avgr |
---|
| 1576 | All |
---|
| 1577 | Endlst |
---|
| 1578 | Endent |
---|
| 1579 | |
---|
| 1580 | Group Members |
---|
| 1581 | Inst |
---|
| 1582 | Endlst |
---|
| 1583 | Avgr |
---|
| 1584 | All |
---|
| 1585 | Endlst |
---|
| 1586 | Endent |
---|
| 1587 | |
---|
| 1588 | Surface Flux |
---|
| 1589 | Inst |
---|
| 1590 | Endlst |
---|
| 1591 | Avgr |
---|
| 1592 | All |
---|
| 1593 | Endlst |
---|
| 1594 | Endent |
---|
| 1595 | |
---|
| 1596 | Deposition Flux |
---|
| 1597 | Inst |
---|
| 1598 | Endlst |
---|
| 1599 | Avgr |
---|
| 1600 | All |
---|
| 1601 | Endlst |
---|
| 1602 | Endent |
---|
| 1603 | |
---|
| 1604 | |
---|
| 1605 | Deposition Velocity |
---|
| 1606 | Inst |
---|
| 1607 | Endlst |
---|
| 1608 | Avgr |
---|
| 1609 | All |
---|
| 1610 | Endlst |
---|
| 1611 | Endent |
---|
| 1612 | |
---|
| 1613 | Temperature = avgr, inst |
---|
| 1614 | Watervapor = avgr, inst |
---|
| 1615 | Surface Pressure = avgr, inst |
---|
| 1616 | |
---|
| 1617 | Photorates |
---|
| 1618 | Inst |
---|
| 1619 | Endlst |
---|
| 1620 | Avgr |
---|
| 1621 | Endlst |
---|
| 1622 | Endent |
---|
| 1623 | |
---|
| 1624 | Reaction rates |
---|
| 1625 | Inst |
---|
| 1626 | Endlst |
---|
| 1627 | Avgr |
---|
| 1628 | Endlst |
---|
| 1629 | Endent |
---|
| 1630 | |
---|
| 1631 | Washout rates |
---|
| 1632 | Inst |
---|
| 1633 | Endlst |
---|
| 1634 | Avgr |
---|
| 1635 | All |
---|
| 1636 | Endlst |
---|
| 1637 | Endent |
---|
| 1638 | |
---|
| 1639 | External forcing |
---|
| 1640 | Inst |
---|
| 1641 | Endlst |
---|
| 1642 | Avgr |
---|
| 1643 | All |
---|
| 1644 | Endlst |
---|
| 1645 | Endent |
---|
| 1646 | |
---|
| 1647 | Print time step = 24h |
---|
| 1648 | |
---|
| 1649 | |
---|
| 1650 | Endent |
---|
| 1651 | |
---|
| 1652 | |
---|
| 1653 | ENDPAR |
---|
| 1654 | |
---|
| 1655 | ENDSIM |
---|