# List species below. For each species, the following entries must be given: # ID : species ID # NAME : species name # MW : molecular weight (g/mol) # K0 : Henry constant at 298 K (M/atm, liquid over gas) # CR : Henry temperature dependency (-d ln(KH)/d(1/T) # pKA : acid dissociation constant # # NOTE: These are the species corresponding to the standard simulation! # #ID NAME MW K0 CR PKA 1 NO 30.00 0.000000E+00 0.00 0.00 2 O3 48.00 0.000000E+00 0.00 0.00 3 PAN 121.00 0.000000E+00 0.00 0.00 4 CO 28.00 0.000000E+00 0.00 0.00 5 ALK4 58.12 0.000000E+00 0.00 0.00 6 ISOP 68.12 0.000000E+00 0.00 0.00 7 HNO3 63.00 8.300000E+04 7400.00 0.00 8 H2O2 34.00 8.300000E+04 7400.00 0.00 9 ACET 58.08 2.700000E+01 5300.00 0.00 10 MEK 72.11 0.000000E+00 0.00 0.00 11 ALD2 44.05 1.100000E+01 6300.00 0.00 12 RCHO 58.00 4.200000E+03 0.00 0.00 13 MVK 70.00 0.000000E+00 0.00 0.00 14 MACR 70.00 0.000000E+00 0.00 0.00 15 NPMN 147.00 0.000000E+00 0.00 0.00 16 PPN 135.00 0.000000E+00 0.00 0.00 17 R4N2 119.00 0.000000E+00 0.00 0.00 18 PRPE 42.08 0.000000E+00 0.00 0.00 19 C3H8 44.10 0.000000E+00 0.00 0.00 20 CH2O 30.00 3.000000E+03 7200.00 0.00 21 C2H6 30.07 0.000000E+00 0.00 0.00 22 N2O5 108.00 0.000000E+00 0.00 0.00 23 HNO4 79.00 0.000000E+00 0.00 0.00 24 MP 48.00 3.100000E+02 5200.00 0.00 25 DMS 62.00 4.800000E-01 3100.00 0.00 26 SO2 64.00 0.000000E+00 0.00 0.00 27 SO4 96.00 0.000000E+00 0.00 0.00 28 SO4s 31.40 0.000000E+00 0.00 0.00 29 MSA 96.00 0.000000E+00 0.00 0.00 30 NH3 17.00 3.300000E+06 4100.00 0.00 31 NH4 18.00 0.000000E+00 0.00 0.00 32 NIT 62.00 0.000000E+00 0.00 0.00 33 NITs 31.40 0.000000E+00 0.00 0.00 34 BCPI 12.01 0.000000E+00 0.00 0.00 35 OCPI 12.01 0.000000E+00 0.00 0.00 36 BCPO 12.01 0.000000E+00 0.00 0.00 37 OCPO 12.01 0.000000E+00 0.00 0.00 38 DST1 29.00 0.000000E+00 0.00 0.00 39 DST2 29.00 0.000000E+00 0.00 0.00 40 DST3 29.00 0.000000E+00 0.00 0.00 41 DST4 29.00 0.000000E+00 0.00 0.00 42 SALA 31.40 0.000000E+00 0.00 0.00 43 SALC 31.40 0.000000E+00 0.00 0.00 44 Br2 160.00 7.600000E-01 3720.00 0.00 45 Br 80.00 0.000000E+00 0.00 0.00 46 BrO 96.00 0.000000E+00 0.00 0.00 47 HOBr 97.00 6.100000E+03 6014.00 0.00 48 HBr 81.00 7.100000E+13 10200.00 0.00 49 BrNO2 126.00 0.000000E+00 0.00 0.00 50 BrNO3 142.00 0.000000E+00 0.00 0.00 51 CHBr3 253.00 0.000000E+00 0.00 0.00 52 CH2Br2 174.00 0.000000E+00 0.00 0.00 53 CH3Br 95.00 0.000000E+00 0.00 0.00 54 MPN 93.00 0.000000E+00 0.00 0.00 55 ISOPND 147.00 2.000000E+06 9200.00 0.00 56 ISOPNB 147.00 2.000000E+06 9200.00 0.00 57 MOBA 114.00 2.300000E+04 6300.00 0.00 58 PROPNN 119.00 5.000000E+05 0.00 0.00 59 HAC 74.00 1.400000E+06 7200.00 0.00 60 GLYC 60.00 4.100000E+04 4600.00 0.00 61 MVKN 149.00 2.000000E+06 9200.00 0.00 62 MACRN 149.00 2.000000E+06 9200.00 0.00 63 MAP 76.00 8.400000E+02 5300.00 0.00 64 NO2 46.00 0.000000E+00 0.00 0.00 65 NO3 62.00 0.000000E+00 0.00 0.00 66 HNO2 47.00 0.000000E+00 0.00 0.00 67 BENZ 78.11 0.000000E+00 0.00 0.00 68 TOLU 92.14 0.000000E+00 0.00 0.00 69 XYLE 106.16 0.000000E+00 0.00 0.00 70 MTPA 136.23 4.900000E-02 0.00 0.00 71 LIMO 136.23 7.000000E-02 0.00 0.00 72 MTPO 136.23 4.900000E-02 0.00 0.00 73 SOAP 150.00 0.000000E+00 0.00 0.00 74 SOAS 150.00 0.000000E+00 0.00 0.00 75 EOH 46.07 1.900000E+02 6600.00 0.00 76 MGLY 72.00 3.700000E+03 7500.00 0.00 77 GLYX 58.00 3.600000E+05 7200.00 0.00 78 ACTA 60.00 4.100000E+03 6300.00 0.00 79 HPALD 116.00 0.000000E+00 0.00 0.00 80 DHDN 226.00 2.000000E+06 9200.00 0.00 81 ETHLN 105.00 2.000000E+06 9200.00 0.00 82 HCOOH 46.00 8.900000E+03 6100.00 0.00 83 IEPOXA 118.00 8.000000E+07 0.00 0.00 84 IEPOXB 118.00 8.000000E+07 0.00 0.00 85 IEPOXD 118.00 8.000000E+07 0.00 0.00 86 ISN1 147.00 2.000000E+06 9200.00 0.00 87 RIPA 118.00 1.700000E+06 0.00 0.00 88 RIPB 118.00 1.700000E+06 0.00 0.00 89 RIPD 118.00 1.700000E+06 0.00 0.00 90 IMAE 102.00 1.200000E+05 7200.00 0.00 91 SOAIE 118.00 0.000000E+00 0.00 0.00 92 SOAME 102.00 0.000000E+00 0.00 0.00 93 SOAGX 58.00 0.000000E+00 0.00 0.00 94 SOAMG 72.00 0.000000E+00 0.00 0.00 95 LVOC 154.00 1.000000E+08 7200.00 0.00 96 LVOCOA 154.00 0.000000E+00 0.00 0.00 97 ISN1OG 226.00 2.300000E+04 9200.00 0.00 98 ISN1OA 226.00 0.000000E+00 0.00 0.00 99 MONITS 215.00 1.700000E+04 9200.00 0.00 100 MONITU 215.00 1.700000E+04 9200.00 0.00 101 HONIT 215.00 2.690000E+13 5487.00 0.00 102 IONITA 14.00 0.000000E+00 0.00 0.00 103 MONITA 14.00 0.000000E+00 0.00 0.00 104 INDIOL 102.00 0.000000E+00 0.00 0.00 105 IPMN 147.00 0.000000E+00 0.00 0.00 106 HC187 187.00 0.000000E+00 0.00 0.00 107 N2O 44.00 0.000000E+00 0.00 0.00 108 OCS 60.00 0.000000E+00 0.00 0.00 109 CH4 16.00 0.000000E+00 0.00 0.00 110 BrCl 115.00 0.000000E+00 0.00 0.00 111 HCl 36.00 7.000000E+10 11000.00 0.00 112 CCl4 152.00 0.000000E+00 0.00 0.00 113 CH3Cl 50.00 0.000000E+00 0.00 0.00 114 CH3CCl3 133.00 0.000000E+00 0.00 0.00 115 CFC113 187.00 0.000000E+00 0.00 0.00 116 CFC114 187.00 0.000000E+00 0.00 0.00 117 CFC115 187.00 0.000000E+00 0.00 0.00 118 HCFC123 117.00 0.000000E+00 0.00 0.00 119 HCFC141b 117.00 0.000000E+00 0.00 0.00 120 HCFC142b 117.00 0.000000E+00 0.00 0.00 121 CFC11 137.00 0.000000E+00 0.00 0.00 122 CFC12 121.00 0.000000E+00 0.00 0.00 123 HCFC22 86.00 0.000000E+00 0.00 0.00 124 H1211 165.00 0.000000E+00 0.00 0.00 125 H1301 149.00 0.000000E+00 0.00 0.00 126 H2402 260.00 0.000000E+00 0.00 0.00 127 Cl 35.00 0.000000E+00 0.00 0.00 128 ClO 51.00 0.000000E+00 0.00 0.00 129 HOCl 52.00 6.500000E+02 5900.00 0.00 130 ClNO3 97.00 0.000000E+00 0.00 0.00 131 ClNO2 81.00 0.000000E+00 0.00 0.00 132 ClOO 67.00 0.000000E+00 0.00 0.00 133 OClO 67.00 0.000000E+00 0.00 0.00 134 Cl2 71.00 0.000000E+00 0.00 0.00 135 Cl2O2 103.00 0.000000E+00 0.00 0.00 136 H2O 18.00 0.000000E+00 0.00 0.00 137 BrSALA 80.00 0.000000E+00 0.00 0.00 138 BrSALC 80.00 0.000000E+00 0.00 0.00 139 CHCl3 119.00 0.000000E+00 0.00 0.00 140 CH2Cl2 85.00 0.000000E+00 0.00 0.00 141 CH3I 142.00 1.973846E-05 3600.00 0.00 142 CH2I2 268.00 0.000000E+00 0.00 0.00 143 CH2ICl 167.00 0.000000E+00 0.00 0.00 144 CH2IBr 221.00 0.000000E+00 0.00 0.00 145 HOI 144.00 1.540000E+04 8371.00 0.00 146 I2 254.00 2.700000E+00 7507.40 0.00 147 IBr 207.00 2.400000E+01 4916.70 0.00 148 ICl 162.00 1.110000E+02 2105.50 0.00 149 I 127.00 0.000000E+00 0.00 0.00 150 IO 143.00 0.000000E+00 0.00 0.00 151 HI 128.00 7.430000E+13 3187.20 0.00 152 OIO 159.00 0.000000E+00 0.00 0.00 153 INO 157.00 0.000000E+00 0.00 0.00 154 IONO 173.00 3.000000E-01 7240.40 0.00 155 IONO2 189.00 1.000000E+20 3980.00 0.00 156 I2O2 286.00 1.000000E+20 18900.00 0.00 157 I2O3 302.00 1.000000E+20 13400.00 0.00 158 I2O4 318.00 1.000000E+20 13400.00 0.00 159 ISALA 127.00 0.000000E+00 0.00 0.00 160 ISALC 127.00 0.000000E+00 0.00 0.00 161 AERI 127.00 0.000000E+00 0.00 0.00 162 pFe 55.85 0.000000E+00 0.00 0.00