COMMENT All the names of non-ionic aqueous phase species begin with a, cations end COMMENT with p and anions end with m, respectively. COMMENT CLASS: HENRY, TYPE: TEMP3 COMMENT Phase transfer COMMENT Kh = A exp(B (1/T - 1/298)) COMMENT B = dH/R [K] COMMENT Further uptake parameters according to Schwartz's approach (alpha, Dg) COMMENT are read elsewhere in the program CLASS: HENRY CO2 = aCO2 TEMP3: A: 3.1e-2 B: 2423.0 CLASS: HENRY O3 = aO3 TEMP3: A: 1.1e-2 B: 2300.0 CLASS: HENRY HO2 = aHO2 TEMP3: A: 9.0e3 B: 0.0 CLASS: HENRY HO = aHO TEMP3: A: 25.0 B: 5280.0 CLASS: HENRY H2O2 = aH2O2 TEMP3: A: 1.0e5 B: 6340.0 CLASS: HENRY NO2 = aNO2 TEMP3: A: 1.2e-2 B: 2500. CLASS: HENRY HONO = aHONO TEMP3: A: 49.0 B: 4880.0 CLASS: HENRY HNO3 = aHNO3 TEMP3: A: 2.1e5 B: 8700.0 CLASS: HENRY NO3 = aNO3 TEMP3: A: 6.0e-1 B: 0.0 CLASS: HENRY N2O5 = aN2O5 TEMP3: A: 1.4e0 B: 0.0 CLASS: HENRY NH3 = aNH3 TEMP3: A: 60.7 B: 3920.0 CLASS: HENRY HCL = aHCL TEMP3: A: 1.1 B: 2020.0 CLASS: HENRY HCHO = aHCHO TEMP3: A: 3.0e3 B: 7200.0 CLASS: HENRY ORA1 = aORA1 TEMP3: A: 5.5e3 B: 5630.0 CLASS: HENRY SO2 = aSO2 TEMP3: A: 1.24 B: 3300.0 CLASS: HENRY OP1 = aOP1 TEMP3: A: 6.00 B: 5640.0 CLASS: HENRY ORA2 = aORA2 TEMP3: A: 5.5e3 B: 5890.0 CLASS: HENRY PAA = aPAA TEMP3: A: 6.69e2 B: 5860.0 CLASS: HENRY MO2 = aMO2 TEMP3: A: 6.00 B: 5640 CLASS: HENRY ETHPX = aETHPX TEMP3: A: 6.00 B: 5640 CLASS: HENRY ETOH = aETOH TEMP3: A: 1.9e2 B: 6290.0 CLASS: HENRY CH3OH = aCH3OH TEMP3: A: 2.2e2 B: 5390.0 CLASS: HENRY ALD = aALD TEMP3: A: 1.1e1 B: 6300.0 CLASS: HENRY BR2 = aBR2 TEMP3: A: 7.58e-1 B: 3800 CLASS: HENRY CL2 = aCL2 TEMP3: A: 9.15e-2 B: 2490.0 CLASS: HENRY SULF = aSULF TEMP3: A: 2.1e5 B: 0.0 CLASS: HENRY HNO4 = aHNO4 TEMP3: A: 1.0e5 B: 0.0 CLASS: HENRY CH4 = aCH4 TEMP3: A: 1.46e-3 B: 0.0 CLASS: HENRY ETH = aETH TEMP3: A: 1.95e-3 B: 0.0 CLASS: HENRY OL2 = aOL2 TEMP3: A: 4.55e-3 B: 0.0 CLASS: HENRY PAN = aPAN TEMP3: A: 5.0 B: 0.0 CLASS: HENRY OP2 = aOP2 TEMP3: A: 837.0 B: 0.0 CLASS: HENRY OL2P = aOL2P TEMP3: A: 6.00 B: 0.0 CLASS: HENRY ACO3 = aACO3 TEMP3: A: 6.69e2 B: 5860.0 COMMENT CLASS: AQUA, TYPE: PHOTABC photolysis reactions according to COMMENT j = A * exp (B *(1 - 1 /(cos (C * chi)); A = jmax; chi = zenith angle CLASS: AQUA FEOHpp = aFEII + aHO PHOTABC: A: 4.76e-03 B: 2.19894e+00 C: 0.76087e+00 CLASS: AQUA FEOH2p = aFEII + aHO + OHm PHOTABC: A: 6.10e-03 B: 2.21811e+00 C: 0.76118e+00 CLASS: AQUA NO3m = NO2m + aHO + OHm PHOTABC: A: 4.57e-7 B: 2.59408e+00 C: 0.77213e+00 CLASS: AQUA NO2m = aNO + aHO + OHm PHOTABC: A: 2.70e-05 B: 2.01536e+00 C: 0.75915e+00 CLASS: AQUA FESO4p = aFEII + SO4m PHOTABC: A: 6.80e-05 B: 2.24656e+00 C: 0.76118e+00 CLASS: AQUA aH2O2 = aHO+ aHO PHOTABC: A: 7.64e-06 B: 2.46425e+00 C: 0.76355e+00 COMMENT CLASS: AQUA; TYPE: TEMP3 COMMENT TEmperature dependent reation COMMENT k(T)=A*exp(B*(1/T-1/298)) COMMENT A=k(298 K) COMMENT B=-Ea/R CLASS: AQUA aH2O2 + aFEIII = aFEII + aHO2 + Hp TEMP3: A: 6.0e2 B: 0.0 CLASS: AQUA aH2O2 + FEOHpp = aFEII + aHO2 + [aH2O] TEMP3: A: 6.0e2 B: 0.0 CLASS: AQUA aH2O2 + FEOH2p = aFEII + aHO2 + [aH2O] + OHm TEMP3: A: 6.0e2 B: 0.0 CLASS: AQUA aH2O2 + aFEII = aFEIII + aHO + OHm TEMP3: A: 7.6e1 B: 0.0 CLASS: AQUA aH2O2 + aMNIII = aMNII + aHO2 + Hp TEMP3: A: 7.3e4 B: 0.0 CLASS: AQUA aH2O2 + aCUI = aCUII + aHO + OHm TEMP3: A: 7.0e3 B: 0.0 CLASS: AQUA O2m + aFEIII = aFEII + aO2 TEMP3: A: 1.5e8 B: 0.0 CLASS: AQUA aHO2 + FEOHpp = aFEII + aO2 + [aH2O] TEMP3: A: 1.3e5 B: 0.0 CLASS: AQUA O2m + FEOHpp = aFEII + aO2 + OHm TEMP3: A: 1.5e8 B: 0.0 CLASS: AQUA O2m + FEOH2p = aFEII + aO2 -2.0 Hp TEMP3: A: 1.5e8 B: 0.0 CLASS: AQUA O2m + aFEII = aFEIII + aH2O2 -2.0 Hp TEMP3: A: 1.0e7 B: 0.0 CLASS: AQUA aHO2 + aFEII = aFEIII + aH2O2 -1.0 Hp TEMP3: A: 1.2e6 B: -5050.0 CLASS: AQUA aHO + aFEII = FEOHpp TEMP3: A: 4.3e8 B: -1100.0 CLASS: AQUA O2m + aMNII = aMNIII + aH2O2 -2.0 Hp TEMP3: A: 1.1e8 B: 0.0 CLASS: AQUA aHO2 + aMNII = aMNIII + aH2O2 -1.0 Hp TEMP3: A: 2.0e5 B: 0.0 CLASS: AQUA aHO + aMNII = aMNIII + OHm TEMP3: A: 2.6e7 B: 0.0 CLASS: AQUA O2m + aCUI = aCUII + aH2O2 -2.0 Hp TEMP3: A: 9.4e9 B: 0.0 CLASS: AQUA aHO2 + aCUI = aCUII + aH2O2 -1.0 Hp TEMP3: A: 2.2e9 B: 0.0 CLASS: AQUA O2m + aCUII = aCUI + aO2 TEMP3: A: 1.1e10 B: 0.0 CLASS: AQUA aHO2 + aCUII = aCUI + aO2 + Hp TEMP3: A: 1.2e9 B: 0.0 CLASS: AQUA aHO + aCUI = aCUII -1.0 Hp TEMP3: A: 3.0e9 B: 0.0 CLASS: AQUA aFEIII + aCUI = aFEII + aCUII TEMP3: A: 3.0e7 B: 0.0 CLASS: AQUA FEOHpp + aCUI = aFEII + aCUII + OHm TEMP3: A: 3.0e7 B: 0.0 CLASS: AQUA FEOH2p + aCUI = aFEII + aCUII + OHm + OHm TEMP3: A: 3.0e7 B: 0.0 CLASS: AQUA aFEII + aMNIII = aFEIII + aMNII TEMP3: A: 1.5e4 B: 0.0 CLASS: AQUA aO3 + O2m = aHO + 2 aO2 -1.0 Hp TEMP3: A: 1.5e9 B: 0.0 CLASS: AQUA aHO2 + aHO2 = aH2O2 + aO2 TEMP3: A: 8.3e5 B: -2720.0 CLASS: AQUA aHO2 + O2m = aH2O2 + aO2 -1.0 Hp TEMP3: A: 9.7e7 B: -1060.0 CLASS: AQUA O2m + O2m = [DUMMY] TEMP3: A: 3.0e-1 B: 0.0 CLASS: AQUA aHO2 + aHO = aO2 + [aH2O] TEMP3: A: 1.0e10 B: 0.0 CLASS: AQUA O2m + aHO = OHm + aO2 TEMP3: A: 1.1e10 B: -2120.0 CLASS: AQUA aH2O2 + aHO = aHO2 + [aH2O] TEMP3: A: 3.0e7 B: -1680.0 CLASS: AQUA aOP1 + aHO = aMO2 + [aH2O] TEMP3: A: 3.0e7 B: -1680.0 CLASS: AQUA HSO3m + aHO = SO3m + [aH2O] TEMP3: A: 2.7e9 B: 0.0 CLASS: AQUA SO3mm + aHO = SO3m + OHm TEMP3: A: 4.6e9 B: 0.0 CLASS: AQUA aN2O5 + [aH2O] = 2 Hp + 2 NO3m TEMP3: A: 5.0e9 B: -1800.0 CLASS: AQUA aNO3 + OHm = NO3m + aHO TEMP3: A: 9.4e7 B: -2700.0 CLASS: AQUA aNO3 + aFEII = NO3m + aFEIII TEMP3: A: 8.0e6 B: 0.0 CLASS: AQUA aNO3 + aMNII = NO3m + aMNIII TEMP3: A: 1.1e6 B: 0.0 CLASS: AQUA aNO3 + aH2O2 = NO3m + Hp + aHO2 TEMP3: A: 4.9e6 B: -2000.0 CLASS: AQUA aNO3 + aOP1 = NO3m + Hp + aMO2 TEMP3: A: 4.9e6 B: -2000.0 CLASS: AQUA aNO3 + aHO2 = NO3m + Hp + aO2 TEMP3: A: 3.0e9 B: 0.0 CLASS: AQUA aNO3 + O2m = NO3m + aO2 TEMP3: A: 3.0e9 B: 0.0 CLASS: AQUA aNO3 + HSO3m = NO3m + Hp + SO3m TEMP3: A: 1.3e9 B: -2000.0 CLASS: AQUA aNO3 + SO3mm = NO3m + SO3m TEMP3: A: 3.0e8 B: 0.0 CLASS: AQUA aNO3 + HSO4m = NO3m + Hp + SO4m TEMP3: A: 5.6e3 B: -2000.0 CLASS: AQUA aNO3 + SO4mm = NO3m + SO4m TEMP3: A: 2.5e4 B: 0.0 CLASS: AQUA aNO2 + aHO = NO3m + Hp TEMP3: A: 1.2e10 B: 0.0 CLASS: AQUA aNO2 + O2m = NO2m + aO2 TEMP3: A: 1.0e8 B: 0.0 CLASS: AQUA aNO2 + aNO2 = aHONO + NO3m + Hp TEMP3: A: 1e8 B: 2900.0 CLASS: AQUA NO2m + aHO = aNO2 + OHm TEMP3: A: 1.1e10 B: 0.0 CLASS: AQUA NO2m + SO4m = aNO2 + SO4mm TEMP3: A: 7.2e8 B: 0.0 CLASS: AQUA NO2m + aNO3 = aNO2 + NO3m TEMP3: A: 1.4e9 B: 0.0 CLASS: AQUA NO2m + CL2m = 2 CLm + aNO2 TEMP3: A: 6.0e7 B: 0.0 CLASS: AQUA NO2m + BR2m = 2 BRm + aNO2 TEMP3: A: 1.2e7 B: -1720.0 CLASS: AQUA NO2m + CO3m = CO3mm + aNO2 TEMP3: A: 6.6e5 B: -850.0 CLASS: AQUA NO2m + aO3 = NO3m + aO2 TEMP3: A: 5.0e5 B: -6900.0 CLASS: AQUA aHONO + aHO = aNO2 + [aH2O] TEMP3: A: 1.0e9 B: 0.0 CLASS: AQUA aHNO4 + HSO3m = HSO4m + Hp + NO3m TEMP3: A: 3.1e5 B: 0.0 CLASS: AQUA HSO3m + aHCHO = HMSm TEMP3: A: 7.9e2 B: -2990.0 CLASS: AQUA SO3mm + aCH22OH = HMSm + OHm TEMP3: A: 2.5e7 B: -2450.0 CLASS: AQUA HMSm = HSO3m + aHCHO TEMP3: A: 4.0e-6 B: -5530.0 CLASS: AQUA HMSm + OHm = aCH22OH + SO3mm TEMP3: A: 3.0e8 B: 0.0 CLASS: AQUA HMSm + SO4m = SO4mm + Hp + aHCHO + SO3m TEMP3: A: 2.8e6 B: 0.0 CLASS: AQUA HMSm + aNO3 = NO3m + Hp + aHCHO + SO3m TEMP3: A: 4.2e6 B: 0.0 CLASS: AQUA HMSm + CL2m = 2 CLm + Hp + aHCHO + SO3m TEMP3: A: 5.0e4 B: 0.0 CLASS: AQUA HMSm + BR2m = 2 BRm + Hp + aHCHO + SO3m TEMP3: A: 5.0e4 B: 0.0 CLASS: AQUA HSO3m + aH2O2 + Hp = SO4mm + [aH2O] + 2 Hp ASPEC1: A: 6.9e7 B: -4000.0 CLASS: AQUA HSO3m + aOP1 + Hp = SO4mm + aCH3OH + 2 Hp ASPEC1: A: 1.8e8 B: -3800.0 CLASS: AQUA HSO3m + aPAA + Hp = SO4mm + 2 Hp ASPEC1: A: 6.3e8 B: -3990.0 CLASS: AQUA aSO2 + aO3 = SO4mm + Hp + aO2 TEMP3: A: 1.9e4 B: 0.0 CLASS: AQUA HSO3m + aO3 = SO4mm + Hp + aO2 TEMP3: A: 3.7e5 B: 0.0 CLASS: AQUA SO3mm + aO3 = SO4mm + Hp + aO2 TEMP3: A: 1.5e9 B: 0.0 CLASS: AQUA HSO3m + FEOHpp = SO3m + aFEII + [aH2O] TEMP3: A: 3.9e1 B: 0.0 CLASS: AQUA SO5m + aFEII + [aH2O]= HSO5m + FEOHpp TEMP3: A: 4.3e7 B: 0.0 CLASS: AQUA HSO5m + aFEII + [aH2O]= SO4m + FEOHpp TEMP3: A: 4.3e7 B: 0.0 CLASS: AQUA SO5m + aMNII + [aH2O]= HSO5m + aMNIII + OHm TEMP3: A: 4.6e6 B: 0.0 CLASS: AQUA aFEII + SO4m = aFEIII + SO4mm TEMP3: A: 3.5e7 B: 0.0 CLASS: AQUA aFEII + S2O8mm = aFEIII + SO4mm + SO4m TEMP3: A: 1.2e1 B: 0.0 CLASS: AQUA SO5m + SO5m = S2O8mm + aO2 TEMP3: A: 1.8e8 B: -2600.0 CLASS: AQUA SO5m + SO5m = SO4m + SO4m + aO2 TEMP3: A: 7.2e6 B: -2600.0 CLASS: AQUA SO5m + aHO2 = HSO5m + aO2 TEMP3: A: 1.7e9 B: 0.0 CLASS: AQUA SO5m + O2m + [aH2O]= HSO5m + aO2 TEMP3: A: 1.7e9 B: 0.0 CLASS: AQUA SO3m + aO2 = SO5m TEMP3: A: 2.5e9 B: 0.0 CLASS: AQUA SO5m + HSO3m = HSO5m + SO3m TEMP3: A: 8.6e3 B: 0.0 CLASS: AQUA SO5m + HSO3m = SO4mm + SO4m + Hp TEMP3: A: 3.6e2 B: 0.0 CLASS: AQUA SO5m + SO3mm = HSO5m + SO3m -1.0 Hp TEMP3: A: 2.1e5 B: 0.0 CLASS: AQUA SO5m + SO3mm = SO4m + SO4mm TEMP3: A: 5.5e5 B: 0.0 CLASS: AQUA aHO + HSO4m = [aH2O] + SO4m TEMP3: A: 3.5e5 B: 0.0 CLASS: AQUA SO4m + SO4m = S2O8mm TEMP3: A: 1.6e8 B: 0.0 CLASS: AQUA SO4m + HSO3m = SO4mm + SO3m + Hp TEMP3: A: 3.2e8 B: 0.0 CLASS: AQUA SO4m + SO3mm = SO4mm + SO3m + Hp TEMP3: A: 3.2e8 B: 1200.0 CLASS: AQUA SO4m + aFEII = FESO4p TEMP3: A: 3.0e8 B: 1200.0 CLASS: AQUA SO4m + aMNII = SO4mm + aMNIII TEMP3: A: 3.2e8 B: 0.0 CLASS: AQUA SO4m + aCUI = SO4mm + aCUII TEMP3: A: 3.0e8 B: 0.0 CLASS: AQUA SO4m + aH2O2 = SO4mm + Hp + aHO2 TEMP3: A: 2.8e7 B: 0.0 CLASS: AQUA SO4m + aOP1 = SO4mm + Hp + aMO2 TEMP3: A: 2.8e7 B: 0.0 CLASS: AQUA SO4m + aHO2 = SO4mm + Hp + aO2 TEMP3: A: 3.5e9 B: 0.0 CLASS: AQUA SO4m + O2m = SO4mm + aO2 TEMP3: A: 3.5e9 B: 0.0 CLASS: AQUA SO4m + NO3m = SO4mm + aNO3 TEMP3: A: 5.0e4 B: 0.0 CLASS: AQUA SO4m + OHm = SO4mm + aHO TEMP3: A: 1.4e7 B: 0.0 CLASS: AQUA SO4m + [aH2O] = SO4mm + aHO + Hp TEMP3: A: 11.9 B: 0.0 CLASS: AQUA HSO5m + HSO3m + Hp = 2 SO4mm + 3 Hp TEMP3: A: 7.1e6 B: 0.0 CLASS: AQUA HSO5m + SO3mm + Hp = 2 SO4mm + 2 Hp TEMP3: A: 7.1e6 B: 0.0 CLASS: AQUA HSO5m + aHO = SO5m + [aH2O] ASPEC1: A: 1.7e7 B: 0.0 CLASS: AQUA aCH3OH + aHO = aHCHO + [aH2O] + aHO2 -1.0 aO2 TEMP3: A: 1.0e9 B: -580.0 CLASS: AQUA aCH3OH + SO4m = SO4mm + Hp + aHO2 + aHCHO -1.0 aO2 TEMP3: A: 9.0e6 B: -2190.0 CLASS: AQUA aCH3OH + aNO3 = NO3m + Hp + aHO2 + aHCHO -1.0 aO2 TEMP3: A: 5.4e5 B: -4300.0 CLASS: AQUA aCH3OH + CL2m = 2 CLm+ Hp + aHO2 + aHCHO -1.0 aO2 TEMP3: A: 1.0e3 B: -5500 CLASS: AQUA aCH3OH + BR2m = 2 BRm + Hp + aHO2 + aHCHO -1.0 aO2 TEMP3: A: 5.4e5 B: 0.0 CLASS: AQUA aCH3OH + CO3m = CO3mm + Hp + aHO2 + aHCHO -1.0 aO2 TEMP3: A: 2.6e3 B: 0.0 CLASS: AQUA aETOH + aHO = [aH2O] + aHO2 + aALD -1.0 aO2 TEMP3: A: 1.9e9 B: 0.0 CLASS: AQUA aETOH + SO4m = SO4mm + Hp + aHO2 + aALD -1.0 aO2 TEMP3: A: 4.1e7 B: -1760.0 CLASS: AQUA aETOH + aNO3 = NO3m + Hp + aHO2 + aALD -1.0 aO2 TEMP3: A: 2.2e6 B: -3300.0 CLASS: AQUA aETOH + CL2m = 2 CLm + Hp + aHO2 + aALD -1.0 aO2 TEMP3: A: 1.2e5 B: 0.0 CLASS: AQUA aETOH + BR2m = 2 BRm + Hp + aHO2 + aALD -1.0 aO2 TEMP3: A: 3.8e3 B: 0.0 CLASS: AQUA aETOH + CO3m = CO3mm + Hp + aHO2 + aALD -1.0 aO2 TEMP3: A: 1.5e4 B: 0.0 CLASS: AQUA aCH22OH + aHO = aORA1 + [aH2O] + aHO2 -1.0 aO2 TEMP3: A: 1.0e9 B: -1020.0 CLASS: AQUA aCH22OH + SO4m = SO4mm + Hp + aHO2 + aORA1 -1.0 aO2 TEMP3: A: 1.4e7 B: -1300.0 CLASS: AQUA aCH22OH + aNO3 = NO3m + Hp + aHO2 + aORA1 -1.0 aO2 TEMP3: A: 1.0e6 B: -4500.0 CLASS: AQUA aCH22OH + CL2m = 2 CLm + Hp + aHO2 + aORA1 -1.0 aO2 TEMP3: A: 3.1e4 B: -4400.0 CLASS: AQUA aCH22OH + BR2m = 2 BRm + Hp + aHO2 + aORA1 -1.0 aO2 TEMP3: A: 3.0e3 B: 0.0 CLASS: AQUA aCH22OH + CO3m = CO3mm + Hp + aHO2 + aORA1 -1.0 aO2 TEMP3: A: 1.3e4 B: 0.0 CLASS: AQUA aORA1 + aHO = aCO2 + [aH2O] + aHO2 -1.0 aO2 TEMP3: A: 1.3e8 B: -1000.0 CLASS: AQUA aCH3CHOH2 + aHO = [aH2O] + aHO2 + aORA2 -1.0 aO2 TEMP3: A: 1.2e9 B: 0.0 CLASS: AQUA aALD + aHO= aHO2 + aORA2 -1.0 aO2 TEMP3: A: 3.6e9 B: 0.0 CLASS: AQUA aCH3CHOH2 + SO4m = SO4mm + Hp + aHO2 + aORA2 -1.0 aO2 TEMP3: A: 2.0e7 B: 0.0 CLASS: AQUA aCH3CHOH2 + aNO3 = NO3m + Hp + aHO2 + aORA2 -1.0 aO2 TEMP3: A: 1.9e6 B: 0.0 CLASS: AQUA aCH3CHOH2 + CL2m = 2 CLm + Hp + aHO2 + aORA2 -1.0 aO2 TEMP3: A: 4.0e4 B: 0.0 CLASS: AQUA aCH3CHOH2 + BR2m = 2 BRm + Hp + aHO2 + aORA2 -1.0 aO2 TEMP3: A: 4.0e4 B: 0.0 CLASS: AQUA aCH3CHOH2 + CO3m = CO3mm + Hp + aHO2 + aORA2 -1.0 aO2 TEMP3: A: 1.0e4 B: 0.0 CLASS: AQUA HCOOm + aHO = aCO2 + OHm + aHO2 -1.0 aO2 TEMP3: A: 4.0e9 B: -1020.0 CLASS: AQUA aORA1 + SO4m = SO4mm + Hp + aHO2 + aCO2 -1.0 aO2 TEMP3: A: 3.2e6 B: 0.0 CLASS: AQUA HCOOm + SO4m = SO4mm + Hp + aHO2 + aCO2 -1.0 aO2 TEMP3: A: 2.1e7 B: 0.0 CLASS: AQUA aORA1 + aNO3 = NO3m + Hp + aHO2 + aCO2 -1.0 aO2 TEMP3: A: 3.8e5 B: -3400.0 CLASS: AQUA HCOOm + aNO3 = aHO2 + aCO2 + NO3m -1.0 aO2 TEMP3: A: 5.1e7 B: -2200.0 CLASS: AQUA aORA1 + CL2m = 2 CLm + Hp + aHO2 + aCO2 -1.0 aO2 TEMP3: A: 5.5e3 B: -4500.0 CLASS: AQUA HCOOm + CL2m = 2 CLm + aCO2 + aHO2 -1.0 aO2 TEMP3: A: 1.3e6 B: 0.0 CLASS: AQUA aORA1 + BR2m = 2 BRm + Hp + aHO2 + aCO2 -1.0 aO2 TEMP3: A: 4.0e3 B: 0.0 CLASS: AQUA HCOOm + BR2m = 2 BRm + aCO2 + aHO2 -1.0 aO2 TEMP3: A: 4.9e3 B: 0.0 CLASS: AQUA HCOOm + CO3m = 2 CO3mm + aCO2 + aHO2 -1.0 aO2 TEMP3: A: 1.4e5 B: -3300.0 CLASS: AQUA aORA2 + aHO = [aH2O] + aACO3 + aCO2 -1.0 aO2 TEMP3: A: 1.4e7 B: -1330.0 CLASS: AQUA MCOOm + aHO = [aH2O] + aACO3 TEMP3: A: 1.0e9 B: -1800.0 CLASS: AQUA aORA2 + SO4m = SO4mm + Hp + aACO3+ aCO2 -1.0 aO2 TEMP3: A: 2.0e5 B: 0.0 CLASS: AQUA MCOOm + SO4m = SO4mm + aMO2 + aCO2 -1.0 aO2 TEMP3: A: 2.8e7 B: -1210.0 CLASS: AQUA aORA2 + aNO3 = aACO3+ aCO2 + NO3m -1.0 aO2 TEMP3: A: 4.6e4 B: 0.0 CLASS: AQUA MCOOm + aNO3 = NO3m + Hp + aMO2 + aCO2 -1.0 aO2 TEMP3: A: 2.9e6 B: -3800.0 CLASS: AQUA aORA2 + CL2m = 2 CLm + Hp + aACO3 -1.0 aO2 TEMP3: A: 1.95e3 B: -4900.0 CLASS: AQUA MCOOm + CL2m = 2 CLm + aMO2 + aCO2 -1.0 aO2 TEMP3: A: 2.6e5 B: -4800.0 CLASS: AQUA aORA2 + BR2m = 2 BRm + Hp + aACO3 -1.0 aO2 TEMP3: A: 10.0 B: 0.0 CLASS: AQUA MCOOm + BR2m = 2 BRm + aMO2 + aCO2 -1.0 aO2 TEMP3: A: 100.0 B: 0.0 CLASS: AQUA MCOOm + CO3m = CO3mm + aMO2 + aCO2 -1.0 aO2 TEMP3: A: 580.0 B: 0.0 CLASS: AQUA aMO2 + aMO2 = aCH3OH + aHCHO + aO2 TEMP3: A: 1.7e8 B: -2200.0 CLASS: AQUA aMO2 + HSO3m = aOP1 + SO3m TEMP3: A: 5.0e5 B: 0.0 CLASS: AQUA aETHPX + aETHPX = [DUMMY] TEMP3: A: 1.5e8 B: 1500.0 CLASS: AQUA SO4m + CLm = SO4mm + aCL TEMP3: A: 3.3e8 B: 0.0 CLASS: AQUA aNO3 + CLm = NO3m + aCL TEMP3: A: 1.0e7 B: -4300.0 CLASS: AQUA CL2m + CL2m = aCL2 + 2 CLm TEMP3: A: 8.7e8 B: 0.0 CLASS: AQUA CL2m + aFEII = 2 CLm + aFEIII TEMP3: A: 1.0e7 B: -3030.0 CLASS: AQUA CL2m + aMNII = 2 CLm + aMNIII TEMP3: A: 8.5e6 B: -4090.0 CLASS: AQUA CL2m + aCUI= 2 CLm + aCUII TEMP3: A: 1.0e7 B: 0.0 CLASS: AQUA CL2m + aH2O2 = 2 CLm + Hp + aHO2 TEMP3: A: 7.0e5 B: -3340.0 CLASS: AQUA CL2m + aOP1 = 2 CLm + aMO2 + Hp TEMP3: A: 7.0e5 B: -3340.0 CLASS: AQUA CL2m + OHm = 2 CLm + aHO TEMP3: A: 4.0e6 B: 0.0 CLASS: AQUA CL2m + aHO2 = 2 CLm + Hp + aO2 TEMP3: A: 1.3e10 B: 0.0 CLASS: AQUA CL2m + O2m = 2 CLm + aO2 TEMP3: A: 6.0e9 B: 0.0 CLASS: AQUA CL2m + HSO3m = 2 CLm + Hp + SO3m TEMP3: A: 1.7e8 B: -400.0 CLASS: AQUA CL2m + SO3mm = 2 CLm + SO3m TEMP3: A: 6.2e7 B: 0.0 CLASS: AQUA aCL2 + [aH2O] = Hp + CLm + aHOCL TEMP3: A: 0.4 B: -7900.0 CLASS: AQUA BRm + SO4m = SO4mm + aBR TEMP3: A: 2.1e9 B: 0.0 CLASS: AQUA BRm + aNO3 = NO3m + aBR TEMP3: A: 3.8e9 B: 0.0 CLASS: AQUA BR2m + BR2m = aBR2 + 2 BRm TEMP3: A: 1.7e9 B: 0.0 CLASS: AQUA BR2m + aFEII = 2 BRm + aFEIII TEMP3: A: 3.6e6 B: -3330.0 CLASS: AQUA BR2m + aMNII = 2 BRm + aMNIII TEMP3: A: 6.3e6 B: -4330.0 CLASS: AQUA BR2m + aCUI = 2 BRm + aCUII TEMP3: A: 3.6e6 B: 0.0 CLASS: AQUA BR2m + aH2O2 = 2 BRm + Hp + aHO2 TEMP3: A: 1.0e5 B: 0.0 CLASS: AQUA BR2m + aOP1 = 2 BRm + Hp + aMO2 TEMP3: A: 1.0e5 B: -3330.0 CLASS: AQUA BR2m + OHm = 2 BRm + aHO TEMP3: A: 1.1e4 B: 0.0 CLASS: AQUA BR2m + aHO2 = 2 BRm + aO2 + Hp TEMP3: A: 6.5e9 B: 0.0 CLASS: AQUA BR2m + O2m = 2 BRm + aO2 TEMP3: A: 1.7e8 B: 0.0 CLASS: AQUA BR2m + HSO3m = 2 BRm + Hp + SO3m TEMP3: A: 5.0e7 B: -780.0 CLASS: AQUA BR2m + SO3mm = 2 BRm + SO3m TEMP3: A: 3.3e7 B: -650.0 CLASS: AQUA aBR2 + [aH2O] = Hp + BRm + aHOBR TEMP3: A: 1.7 B: -7500.0 CLASS: AQUA HCO3m + aHO = [aH2O] + CO3m TEMP3: A: 1.7e7 B: -1900.0 CLASS: AQUA CO3mm + aHO = OHm + CO3m TEMP3: A: 1.0e9 B: -2550.0 CLASS: AQUA HCO3m + SO4m = SO4mm + CO3m + Hp TEMP3: A: 2.8e6 B: -2090.0 CLASS: AQUA CO3mm + SO4m = SO4mm + CO3m TEMP3: A: 4.1e7 B: 0.0 CLASS: AQUA CO3mm + aNO3 = NO3m + CO3m TEMP3: A: 1.7e7 B: 0.0 CLASS: AQUA CO3mm + CL2m = 2 CLm + CO3m TEMP3: A: 2.7e6 B: 0.0 CLASS: AQUA CO3mm + BR2m = 2 BRm + CO3m TEMP3: A: 1.1e5 B: 0.0 CLASS: AQUA CO3m + CO3m = 2 O2m + 2 aCO2 -1.0 aO2 TEMP3: A: 2.2e6 B: 0.0 CLASS: AQUA CO3m + aFEII = aFEIII + CO3mm TEMP3: A: 2.0e7 B: 0.0 CLASS: AQUA CO3m + aMNII = aMNIII + CO3mm TEMP3: A: 1.5e7 B: 0.0 CLASS: AQUA CO3m + aCUI = aCUII + CO3mm TEMP3: A: 2.0e7 B: 0.0 CLASS: AQUA CO3m + aH2O2 = HCO3m + aHO2 TEMP3: A: 4.3e5 B: 0.0 CLASS: AQUA CO3m + aOP1 = HCO3m + aMO2 TEMP3: A: 4.3e5 B: 0.0 CLASS: AQUA CO3m + aHO2 = HCO3m + aO2 TEMP3: A: 6.5e8 B: 0.0 CLASS: AQUA CO3m + O2m = CO3mm + aO2 TEMP3: A: 6.5e8 B: 0.0 CLASS: AQUA CO3m + HSO3m = HCO3m + SO3m TEMP3: A: 1.0e7 B: 0.0 CLASS: AQUA CO3m + SO3mm = CO3mm + SO3m TEMP3: A: 6.5e8 B: 0.0 COMMENT CLASS: DISS, TYPE: DTEMP COMMENT Temperature dependent dissociation COMMENT Ke = A exp(B*(1/T - 1/298)); COMMENT B=-Ea/R COMMENT C = k(back reaction) COMMENT CLASS: DISS, TYPE: DCONST COMMENT Dissociation COMMENT Ke = A COMMENT B= k(back reaction) CLASS: DISS [aH2O] = OHm + Hp DTEMP: A: 1.8e-16 B: -6740.0 C: 1.3e11 CLASS: DISS aCO2 + [aH2O] = aH2CO3 DTEMP: A: 7.7e-07 B: -9250.0 C: 5.60e+04 CLASS: DISS aH2CO3 = HCO3m + Hp DCONST: A: 2.0e-04 B: 5.0e10 CLASS: DISS HCO3m = CO3mm + Hp DTEMP: A: 4.7e-11 B: -1820.0 C: 5.0e10 CLASS: DISS aHCL = CLm + Hp DTEMP: A: 1.72e+6 B: 6890.0 C: 5.0e10 CLASS: DISS aNH3 = NH4p + OHm DTEMP: A: 1.764706e-5 B: -560.0 C: 3.4e10 CLASS: DISS aHO2 = O2m + Hp DCONST: A: 1.6e-5 B: 5.0e10 CLASS: DISS aHNO3 = NO3m + Hp DTEMP: A: 22.0 B: 1800.0 C: 5.0e10 CLASS: DISS aHONO = NO2m + Hp DTEMP: A: 5.3e-4 B: -1760.0 C: 5.0e10 CLASS: DISS aSO2 + [aH2O] = HSO3m + Hp DTEMP: A: 3.15e-4 B: 1940.0 C: 2.0e8 CLASS: DISS HSO3m = SO3mm + Hp DTEMP: A: 6.22e-8 B: 1960.0 C: 5.0e10 CLASS: DISS aHCHO + [aH2O] = aCH22OH DTEMP: A: 35.3 B: 4030.0 C: 5.1e-3 CLASS: DISS aORA1 = HCOOm + Hp DTEMP: A: 1.78e-4 B: 12.0 C: 5.0e10 CLASS: DISS aORA2 = MCOOm + Hp DTEMP: A: 1.76e-5 B: 46.0 C: 5.0e10 CLASS: DISS aFEIII + [aH2O] = FEOHpp + Hp DCONST: A: 1.093023256e-4 B: 4.3e8 CLASS: DISS FEOHpp + [aH2O] = FEOH2p + Hp DCONST: A: 1.375e-7 B: 8.0e9 CLASS: DISS FESO4p = aFEIII + SO4mm DCONST: A: 1.7567568e-2 B: 3.7e5 CLASS: DISS aALD + [aH2O] = aCH3CHOH2 DTEMP: A: 2.45614e-2 B: 2500.0 C: 5.7e-3 CLASS: DISS aCL + CLm = CL2m DCONST: A: 1.928571e5 B: 1.4e5 CLASS: DISS aBR + BRm = BR2m DCONST: A: 6.3157895e5 B: 1.9e4 CLASS: DISS aHNO4 = NO4m + Hp DCONST: A: 1.0e-5 B: 5.0e10 CLASS: DISS aHNO4 = aNO2 + aHO2 DCONST: A: 4.6e-10 B: 1.0e7 CLASS: DISS CLm + aHO = CLOHm DCONST: A: 0.7 B: 6.1e9 CLASS: AQUA CLOHm + Hp = aCL + [aH2O] TEMP3: A: 2.0e10 B: 0.0 CLASS: AQUA aCL + [aH2O] = CLOHm + Hp TEMP3: A: 1.3e3 B: 0.0 CLASS: DISS CLOHm + CLm = CL2m + OHm DCONST: A: 2.2e-04 B: 4.5e7 CLASS: DISS BRm + aHO = BROHm DCONST: A: 3.33e+02 B: 3.3e7 CLASS: AQUA BROHm + Hp = aBR + [aH2O] TEMP3: A: 4.4e10 B: 0.0 CLASS: AQUA aBR + [aH2O] = BROHm + Hp TEMP3: A: 0.0245 B: 0.0 CLASS: DISS BROHm + BRm = BR2m + OHm DCONST: A: 70.0 B: 2.7e+06 CLASS: DISS HSO4m = SO4mm + Hp DTEMP: A: 1.02e-2 B: -2700.0 C: 1e11