######################## HM3 Table S 4 ######################################## CLASS: GAS #G1 CL + C = CO[O] + HCL TEMP1: A: 6.60E-12 E/R: 1240.0 CLASS: GAS #G2 CL + CC = CCO[O] + HCL TEMP1: A: 8.30E-11 E/R: 100.0 CLASS: GAS #G3 CL + CCC = CC(O[O])C + HCL TEMP1: A: 6.02E-11 E/R: -75.0 CLASS: GAS #G4 CL + CCC = CCCO[O] + HCL TEMP1: A: 8.26E-11 E/R: 90.0 CLASS: GAS #G5 CL + CCCC = CCCCO[O] + HCL TEMP1: A: 9.02E-11 E/R: 120.0 CLASS: GAS #G6 CL + CCCC = CCC(O[O])C + HCL TEMP1: A: 1.21E-10 E/R: -55.0 CLASS: GAS #G7 CL + CC(C)C = 0.564 CC(C)CO[O] + 0.436 CC(O[O])(C)C + HCL CONST: A: 1.43E-10 CLASS: GAS #G8 CL + CCCCC = 0.222 CCCCCO[O] + 0.558 CCCC(O[O])C + 0.220 CCC(O[O])CC + HCL CONST: A: 2.80E-10 CLASS: GAS #G9 CL + CCC(C)C = 0.408 CCC(C)CO[O] + 0.342 CC(O[O])C(C)C + 0.250 CCC(O[O])(C)C + HCL CONST: A: 2.20E-10 CLASS: GAS #G10 CL + CC(C)(C)C = CC(C)(C)CO[O] + HCL CONST: A: 1.11E-10 CLASS: GAS #G11 CL + CCCCCC = 0.182 CCCCCCO[O] + 0.457 CCCCC(O[O])C + 0.361 CCCC(O[O])CC + HCL CONST: A: 3.40E-10 CLASS: GAS #G12 CL + CCCC(C)C = 0.321 CCCC(C)CO[O] + 0.269 CC(O[O])CC(C)C + 0.213 CCC(O[O])C(C)C + 0.197 CCCC(O[O])(C)C + HCL CONST: A: 2.90E-10 CLASS: GAS #G13 CL + CCC(C)CC = 0.317 CCC(C)CCO[O] + 0.530 CC(O[O])C(C)CC + 0.153 CCC(O[O])(C)CC + HCL CONST: A: 2.80E-10 CLASS: GAS #G14 CL + CCC(C)(C)C = 0.461 CC(O[O])C(C)(C)C + 0.154 CC(C)(C)CCO[O] + 0.386 CCC(C)(C)CO[O] + HCL CONST: A: 1.71E-10 CLASS: GAS #G15 CL + CC(C)C(C)C = 0.478 CC(O[O])(C)C(C)C + 0.522 CC(C)C(C)CO[O] + HCL CONST: A: 2.30E-10 CLASS: GAS #G16 CL + CCCCCCC = CCCCC(O[O])CC + HCL CONST: A: 3.90E-10 CLASS: GAS #G17 CL + CCCCC(C)C = 0.779 CC(O[O])CCC(C)C + 0.221 CCCCC(O[O])(C)C + HCL CONST: A: 3.50E-10 CLASS: GAS #G18 CL + CCCC(C)CC = 0.793 CC(O[O])CC(C)CC + 0.207 CCCC(O[O])(C)CC + HCL CONST: A: 3.11E-10 CLASS: GAS #G19 CL + CCCCCCCC = CCCCCC(O[O])CC + HCL CONST: A: 4.60E-10 CLASS: GAS #G20 CL + CCCCCCCCC = CCCCCCC(O[O])CC + HCL CONST: A: 4.80E-10 CLASS: GAS #G21 CL + CCCCCCCCCC = CCCCCCCC(O[O])CC + HCL CONST: A: 5.55E-10 CLASS: GAS #G22 CL + CCCCCCCCCCC = CCCCCCCCC(O[O])CC + HCL CONST: A: 6.17E-10 CLASS: GAS #G23 CL + CCCCCCCCCCCC = CCCCCCCCCC(O[O])CC + HCL CONST: A: 6.74E-10 CLASS: GAS #G24 CL + C1CCCCC1 = C1CCC(O[O])CC1 + HCL CONST: A: 3.50E-10 CLASS: GAS #G25 CCL + OH = CLCO[O] TEMP2: KO: 7.33E-18 E/R: 809.0 CLASS: GAS #G26 CLCCL + OH = [O]OC(CL)CL TEMP2: KO: 6.14E-18 E/R: 389.0 CLASS: GAS #G27 CLC(CL)CL + OH = [O]OC(CL)(CL)CL TEMP2: KO: 1.80E-18 E/R: 129.0 CLASS: GAS #G28 CC(CL)(CL)CL + OH = CLC(CL)(CL)CO[O] TEMP2: KO: 2.25E-18 E/R: 910.0 CLASS: GAS #G29 CLC(CL)=C(CL)CL + OH = OC(CL)(CL)C(CL)(CL)O[O] TEMP1: A: 3.50E-12 E/R: 920.0 CLASS: GAS #G30 CLC(CL)=CCL + OH = 0.50 OC(CL)C(CL)(CL)O[O] + 0.50 OC(CL)(CL)C(CL)O[O] TEMP1: A: 3.00E-13 E/R: -565.0 CLASS: GAS #G31 CL/C=C\CL + OH = OC(CL)C(CL)O[O] TEMP1: A: 1.94E-12 E/R: -90.0 CLASS: GAS #G32 CL/C=C/CL + OH = OC(CL)C(CL)O[O] TEMP1: A: 1.01E-12 E/R: -250.0 CLASS: GAS #G33 CLCCCL + OH = CLCC(CL)O[O] TEMP1: A: 8.69E-12 E/R: 1070.0 CLASS: GAS #G34 CLC(CL)=C + OH = 0.50 OCC(CL)(CL)O[O] + 0.50 OC(CL)(CL)CO[O] TEMP1: A: 2.00E-12 E/R: -506.0 CLASS: GAS #G35 CC(CL)CCL + OH = 0.11 CLCC(CL)CO[O] + 0.60 CC(CL)(O[O])CCL + 0.29 CC(CL)C(CL)O[O] CONST: A: 4.42E-13 CLASS: GAS #G36 CC(CL)CL + OH = 0.85 CC(CL)(CL)O[O] + 0.15 CLC(CL)CO[O] TEMP1: A: 2.00E-12 E/R: 596.0 CLASS: GAS #G37 CCCL + OH = 0.87 CLCCO[O] + 0.13 CC(CL)O[O] TEMP2: KO: 7.78E-18 E/R: 152.0 CLASS: GAS #G38 CLC(CL)C(CL)CL + OH = CLC(CL)C(CL)(CL)O[O] CONST: A: 5.13E-13 CLASS: GAS #G39 CLC(CL)CCL + OH = 0.5 CLCC(CL)(CL)O[O] + 0.5 CLC(CL)C(CL)O[O] TEMP2: KO: 4.44E-18 E/R: 208.0 CLASS: GAS #G40 CLC=C + NO3 = 0.35 CLC(ON(=O)=O)CO[O] + 0.65 [O]OC(CL)CON(=O)=O CONST: A: 2.30E-16 CLASS: GAS #G41 CLC=C + O3 = 0.76 O=CCL + 0.76 [O-][O+]=C*b + 0.24 C=O + 0.24 [O-][O+]=CCL*a CONST: A: 2.45E-19 CLASS: GAS #G42 CLC=C + OH = 0.50 OC(CL)CO[O] + 0.50 OCC(CL)O[O] CONST: A: 8.49E-12 CLASS: GAS #G43 CLCO[O] + HO2 = 0.3 CLCOO + 0.7 O=CCL TEMP1: A: 3.20E-13 E/R: -820.0 CLASS: GAS #G44 CLCO[O] + NO = CLC[O] + NO2 TEMP1: A: 4.05E-12 E/R: -360.0 CLASS: GAS #G45 CLCO[O] + NO3 = CLC[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G46 CLCO[O] = 0.6 CLC[O] + 0.2 OCCL + 0.2 O=CCL TEMP1: A: 2.80E-13 E/R: -618.0 FACTOR: $RO2 CLASS: GAS #G47 [O]OC(CL)CL + HO2 = OOC(CL)CL TEMP1: A: 5.60E-13 E/R: -700.0 CLASS: GAS #G48 [O]OC(CL)CL + NO = [O]C(CL)CL + NO2 TEMP1: A: 4.05E-12 E/R: -360.0 CLASS: GAS #G49 [O]OC(CL)CL + NO3 = [O]C(CL)CL + NO2 CONST: A: 2.30E-12 CLASS: GAS #G50 [O]OC(CL)CL = 0.6 [O]C(CL)CL + 0.2 OC(CL)CL + 0.2 O=C(CL)CL CONST: A: 2.00E-12 FACTOR: $RO2 CLASS: GAS #G51 [O]OC(CL)(CL)CL + HO2 = OOC(CL)(CL)CL TEMP1: A: 4.70E-13 E/R: -710.0 CLASS: GAS #G52 [O]OC(CL)(CL)CL + NO = [O]C(CL)(CL)CL + NO2 TEMP1: A: 4.86E-12 E/R: -360.0 CLASS: GAS #G53 [O]OC(CL)(CL)CL + NO3 = [O]C(CL)(CL)CL + NO2 CONST: A: 2.30E-12 CLASS: GAS #G54 [O]OC(CL)(CL)CL = 0.7 [O]C(CL)(CL)CL + 0.3 OC(CL)(CL)CL TEMP1: A: 3.69E-13 E/R: -553.0 FACTOR: $RO2 CLASS: GAS #G55 CLC(CL)(CL)CO[O] + HO2 = CLC(CL)(CL)COO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G56 CLC(CL)(CL)CO[O] + NO = CLC(CL)(CL)C[O] + NO2 TEMP1: A: 4.05E-12 E/R: -360.0 CLASS: GAS #G57 CLC(CL)(CL)CO[O] + NO3 = CLC(CL)(CL)C[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G58 CLC(CL)(CL)CO[O] = 0.6 CLC(CL)(CL)C[O] + 0.2 OCC(CL)(CL)CL + 0.2 CLC(CL)(CL)C=O CONST: A: 2.00E-12 FACTOR: $RO2 CLASS: GAS #G59 OC(CL)(CL)C(CL)(CL)O[O] + HO2 = OC(CL)(CL)C(CL)(CL)OO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G60 OC(CL)(CL)C(CL)(CL)O[O] + NO = OC(CL)(CL)C(CL)(CL)[O] + NO2 TEMP1: A: 4.05E-12 E/R: -360.0 CLASS: GAS #G61 OC(CL)(CL)C(CL)(CL)O[O] + NO3 = OC(CL)(CL)C(CL)(CL)[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G62 OC(CL)(CL)C(CL)(CL)O[O] = 0.3 OC(CL)(CL)C(O)(CL)CL + 0.7 OC(CL)(CL)C(CL)(CL)[O] CONST: A: 9.20E-14 FACTOR: $RO2 CLASS: GAS #G63 OC(CL)C(CL)(CL)O[O] + HO2 = OC(CL)C(CL)(CL)OO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G64 OC(CL)C(CL)(CL)O[O] + NO = OC(CL)C(CL)(CL)[O] + NO2 TEMP1: A: 4.05E-12 E/R: -360.0 CLASS: GAS #G65 OC(CL)C(CL)(CL)O[O] + NO3 = OC(CL)C(CL)(CL)[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G66 OC(CL)C(CL)(CL)O[O] = 0.3 OC(CL)(CL)C(O)CL + 0.7 OC(CL)C(CL)(CL)[O] CONST: A: 9.20E-14 FACTOR: $RO2 CLASS: GAS #G67 OC(CL)(CL)C(CL)O[O] + HO2 = OC(CL)(CL)C(CL)OO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G68 OC(CL)(CL)C(CL)O[O] + NO = OC(CL)(CL)C(CL)[O] + NO2 TEMP1: A: 4.05E-12 E/R: -360.0 CLASS: GAS #G69 OC(CL)(CL)C(CL)O[O] + NO3 = OC(CL)(CL)C(CL)[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G70 OC(CL)(CL)C(CL)O[O] = 0.2 OC(CL)(CL)C(O)CL + 0.6 OC(CL)(CL)C(CL)[O] + 0.2 OC(CL)(CL)C(=O)CL CONST: A: 8.80E-13 FACTOR: $RO2 CLASS: GAS #G71 OC(CL)C(CL)O[O] + HO2 = OC(CL)C(CL)OO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G72 OC(CL)C(CL)O[O] + NO = OC(CL)C(CL)[O] + NO2 TEMP1: A: 4.05E-12 E/R: -360.0 CLASS: GAS #G73 OC(CL)C(CL)O[O] + NO3 = OC(CL)C(CL)[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G74 OC(CL)C(CL)O[O] = 0.2 OC(CL)C(O)CL + 0.6 OC(CL)C(CL)[O] + 0.2 OC(CL)C(=O)CL CONST: A: 8.80E-13 FACTOR: $RO2 CLASS: GAS #G75 CLCC(CL)O[O] + HO2 = CLCC(CL)OO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G76 CLCC(CL)O[O] + NO = CLCC(CL)[O] + NO2 TEMP1: A: 4.05E-12 E/R: -360.0 CLASS: GAS #G77 CLCC(CL)O[O] + NO3 = CLCC(CL)[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G78 CLCC(CL)O[O] = 0.2 CLCC=O + 0.6 CLCC(CL)[O] + 0.2 CLCC(O)CL CONST: A: 8.80E-13 FACTOR: $RO2 CLASS: GAS #G79 OCC(CL)(CL)O[O] + HO2 = OOCL.OCCCL TEMP1: A: 2.91E-13 E/R: -1300.0 CLASS: GAS #G80 OCC(CL)(CL)O[O] + NO = OCC(CL)(CL)[O] + NO2 TEMP1: A: 4.05E-12 E/R: -360.0 CLASS: GAS #G81 OCC(CL)(CL)O[O] + NO3 = OCC(CL)(CL)[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G82 OCC(CL)(CL)O[O] = 0.7 OCC(CL)(CL)[O] + 0.3 OCC(O)(CL)CL CONST: A: 8.80E-13 FACTOR: $RO2 CLASS: GAS #G83 OC(CL)(CL)CO[O] + HO2 = OC(CL)(CL)COO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G84 OC(CL)(CL)CO[O] + NO = OC(CL)(CL)C[O] + NO2 TEMP1: A: 3.24E-12 E/R: -360.0 CLASS: GAS #G85 OC(CL)(CL)CO[O] + NO3 = OC(CL)(CL)C[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G86 OC(CL)(CL)CO[O] = 0.60 OC(CL)(CL)C[O] + 0.20 OCC(O)(CL)CL + 0.20 OC(CL)(CL)C=O CONST: A: 2.00E-12 FACTOR: $RO2 CLASS: GAS #G87 CLCC(CL)CO[O] + HO2 = CLCC(CL)COO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G88 CLCC(CL)CO[O] + NO = CLCC(CL)C[O] + NO2 TEMP1: A: 2.70E-12 E/R: -360.0 CLASS: GAS #G89 CLCC(CL)CO[O] + NO3 = CLCC(CL)C[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G90 CLCC(CL)CO[O] = 0.60 CLCC(CL)C[O] + 0.20 OCC(CL)CCL + 0.20 CLCC(CL)C=O CONST: A: 2.00E-12 FACTOR: $RO2 CLASS: GAS #G91 CC(CL)(O[O])CCL + HO2 = CC(CL)(OO)CCL TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G92 CC(CL)(O[O])CCL + NO = CC(CL)([O])CCL + NO2 TEMP1: A: 2.70E-12 E/R: -360.0 CLASS: GAS #G93 CC(CL)(O[O])CCL + NO3 = CC(CL)([O])CCL + NO2 CONST: A: 2.30E-12 CLASS: GAS #G94 CC(CL)(O[O])CCL = 0.70 CC(CL)([O])CCL + 0.30 CC(O)(CL)CCL CONST: A: 9.20E-13 FACTOR: $RO2 CLASS: GAS #G95 CC(CL)C(CL)O[O] + HO2 = CC(CL)C(CL)OO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G96 CC(CL)C(CL)O[O] + NO = CC(CL)C(CL)[O] + NO2 TEMP1: A: 2.70E-12 E/R: -360.0 CLASS: GAS #G97 CC(CL)C(CL)O[O] + NO3 = CC(CL)C(CL)[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G98 CC(CL)C(CL)O[O] = 0.20 CC(CL)C(=O)CL + 0.60 CC(CL)C(CL)[O] + 0.20 CC(CL)C(O)CL CONST: A: 8.80E-13 FACTOR: $RO2 CLASS: GAS #G99 CC(CL)(CL)O[O] + HO2 = CC(CL)(CL)OO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G100 CC(CL)(CL)O[O] + NO = CC(CL)(CL)[O] + NO2 TEMP1: A: 4.05E-12 E/R: -360.0 CLASS: GAS #G101 CC(CL)(CL)O[O] + NO3 = CC(CL)(CL)[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G102 CC(CL)(CL)O[O] = 0.70 CC(CL)(CL)[O] + 0.30 CC(O)(CL)CL CONST: A: 9.20E-14 FACTOR: $RO2 CLASS: GAS #G103 CLC(CL)CO[O] + HO2 = CLC(CL)COO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G104 CLC(CL)CO[O] + NO = CLC(CL)C[O] + NO2 TEMP1: A: 3.24E-12 E/R: -360.0 CLASS: GAS #G105 CLC(CL)CO[O] + NO3 = CLC(CL)C[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G106 CLC(CL)CO[O] = 0.60 CLC(CL)C[O] + 0.20 CLC(CL)C=O + 0.20 OCC(CL)CL CONST: A: 2.00E-12 FACTOR: $RO2 CLASS: GAS #G107 CLCCO[O] + HO2 = CLCCOO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G108 CLCCO[O] + NO = CLCC[O] + NO2 TEMP1: A: 3.24E-12 E/R: -360.0 CLASS: GAS #G109 CLCCO[O] + NO3 = CLCC[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G110 CLCCO[O] = 0.6 CLCC[O] + 0.2 OCCCL + 0.2 CLCC=O TEMP1: A: 1.32E-13 E/R: -833.0 FACTOR: $RO2 CLASS: GAS #G111 CC(CL)O[O] + HO2 = CC(CL)OO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G112 CC(CL)O[O] + NO = CC(CL)[O] + NO2 TEMP1: A: 4.05E-12 E/R: -360.0 CLASS: GAS #G113 CC(CL)O[O] + NO3 = CC(CL)[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G114 CC(CL)O[O] = 0.6 CC(CL)[O] + 0.2 CC(O)CL + 0.2 CC(=O)CL CONST: A: 2.65E-12 FACTOR: $RO2 CLASS: GAS #G115 CLC(CL)C(CL)(CL)O[O] + HO2 = CLC(CL)C(CL)(CL)OO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G116 CLC(CL)C(CL)(CL)O[O] + NO = CLC(CL)C(CL)(CL)[O] + NO2 TEMP1: A: 4.05E-12 E/R: -360.0 CLASS: GAS #G117 CLC(CL)C(CL)(CL)O[O] + NO3 = CLC(CL)C(CL)(CL)[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G118 CLC(CL)C(CL)(CL)O[O] = 0.70 CLC(CL)C(CL)(CL)[O] + 0.30 CLC(CL)C(O)(CL)CL CONST: A: 9.20E-14 FACTOR: $RO2 CLASS: GAS #G119 CLCC(CL)(CL)O[O] + HO2 = CLCC(CL)(CL)OO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G120 CLCC(CL)(CL)O[O] + NO = CLCC(CL)(CL)[O] + NO2 TEMP1: A: 4.05E-12 E/R: -360.0 CLASS: GAS #G121 CLCC(CL)(CL)O[O] + NO3 = CLCC(CL)(CL)[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G122 CLCC(CL)(CL)O[O] = 0.60 CLCC(CL)(CL)[O] + 0.20 CLCC(O)(CL)CL + 0.20 CLCC(=O)CL CONST: A: 9.20E-14 FACTOR: $RO2 CLASS: GAS #G123 CLC(CL)C(CL)O[O] + HO2 = CLC(CL)C(CL)OO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G124 CLC(CL)C(CL)O[O] + NO = CLC(CL)C(CL)[O] + NO2 TEMP1: A: 4.05E-12 E/R: -360.0 CLASS: GAS #G125 CLC(CL)C(CL)O[O] + NO3 = CLC(CL)C(CL)[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G126 CLC(CL)C(CL)O[O] = 0.20 CLC(CL)C=O + 0.60 CLC(CL)C(CL)[O] + 0.20 CLC(CL)C(O)CL CONST: A: 2.00E-12 FACTOR: $RO2 CLASS: GAS #G127 CLC(ON(=O)=O)CO[O] + HO2 = CLC(ON(=O)=O)COO + OH TEMP1: A: 1.13E-13 E/R: -1300.0 CLASS: GAS #G128 CLC(ON(=O)=O)CO[O] + NO = CLC(ON(=O)=O)C[O] + NO2 TEMP1: A: 4.32E-12 E/R: -360.0 CLASS: GAS #G129 CLC(ON(=O)=O)CO[O] + NO3 = CLC(ON(=O)=O)C[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G130 CLC(ON(=O)=O)CO[O] = 0.2 CLC(ON(=O)=O)C=O + 0.6 CLC(ON(=O)=O)C[O] + 0.2 OCC(CL)ON(=O)=O CONST: A: 2.00E-12 FACTOR: $RO2 CLASS: GAS #G131 [O]OC(CL)CON(=O)=O + HO2 = OOC(CL)CON(=O)=O + OH TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G132 [O]OC(CL)CON(=O)=O + NO = [O]C(CL)CON(=O)=O + NO2 TEMP1: A: 5.94E-12 E/R: -360.0 CLASS: GAS #G133 [O]OC(CL)CON(=O)=O + NO3 = [O]C(CL)CON(=O)=O + NO2 CONST: A: 2.30E-12 CLASS: GAS #G134 [O]OC(CL)CON(=O)=O = 0.6 [O]C(CL)CON(=O)=O + 0.2 OC(CL)CON(=O)=O + 0.2 O=C(CL)CON(=O)=O CONST: A: 2.00E-12 FACTOR: $RO2 CLASS: GAS #G135 O=CCL + NO3 = CO + CL + HNO3 TEMP1: A: 1.40E-12 E/R: 1860.0 CLASS: GAS #G136 O=CCL + OH = CO + CL CONST: A: 6.12E-12 CLASS: GAS #G137 O=CCL = HO2 + CO + CL PHOTMCM: I: 4.642E-05 M: 7.620E-01 N: 3.530E-01 CLASS: GAS #G138 [O-][O+]=CCL*a = 0.25 [O-][O+]=CCL + 0.395 HCL + 0.395 HO2 + 0.395 CL + 0.355 OH + 0.355 CO + 0.355 CL CONST: A: 1.00E+06 CLASS: GAS #G139 OC(CL)CO[O] + HO2 = OC(CL)COO TEMP1: A: 1.13E-13 E/R: -1300.0 CLASS: GAS #G140 OC(CL)CO[O] + NO = OC(CL)C[O] + NO2 TEMP1: A: 4.32E-12 E/R: -360.0 CLASS: GAS #G141 OC(CL)CO[O] + NO3 = OC(CL)C[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G142 OC(CL)CO[O] = 0.2 OC(CL)C=O + 0.2 OCC(O)CL + 0.6 OC(CL)C[O] CONST: A: 2.00E-12 FACTOR: $RO2 CLASS: GAS #G143 OCC(CL)O[O] + HO2 = OCC(CL)OO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G144 OCC(CL)O[O] + NO = OCC(CL)[O] + NO2 TEMP1: A: 5.94E-12 E/R: -360.0 CLASS: GAS #G145 OCC(CL)O[O] + NO3 = OCC(CL)[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G146 OCC(CL)O[O] = 0.6 OCC(CL)[O] + 0.2 OCC(O)CL + 0.2 OCC(=O)CL CONST: A: 8.80E-13 FACTOR: $RO2 CLASS: GAS #G147 CLCOO + OH = CLCO[O] TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G148 CLCOO + OH = O=CCL + OH CONST: A: 4.14E-12 CLASS: GAS #G149 CLCOO = CLC[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G150 CLC[O] = O=CCL + HO2 TEMP1: A: 2.50E-14 E/R: 300.0 FACTOR: $O2 CLASS: GAS #G151 OCCL + OH = O=CCL + HO2 CONST: A: 1.08E-12 CLASS: GAS #G152 OOC(CL)CL + OH = [O]OC(CL)CL TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G153 OOC(CL)CL + OH = O=C(CL)CL + OH CONST: A: 3.44E-12 CLASS: GAS #G154 OOC(CL)CL = [O]C(CL)CL + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G155 [O]C(CL)CL = O=CCL + CL CONST: A: 1.00E+06 CLASS: GAS #G156 OC(CL)CL + OH = O=C(CL)CL + HO2 CONST: A: 9.34E-13 CLASS: GAS #G157 O=C(CL)CL = CO + CL + CL PHOTMCM: I: 2.792E-05 M: 8.050E-01 N: 3.380E-01 CLASS: GAS #G158 OOC(CL)(CL)CL + OH = [O]OC(CL)(CL)CL TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G159 OOC(CL)(CL)CL = [O]C(CL)(CL)CL + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G160 [O]C(CL)(CL)CL = O=C(CL)CL + CL CONST: A: 1.00E+06 CLASS: GAS #G161 OC(CL)(CL)CL + OH = [O]C(CL)(CL)CL CONST: A: 3.60E-14 CLASS: GAS #G162 CLC(CL)(CL)COO + OH = CLC(CL)(CL)CO[O] TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G163 CLC(CL)(CL)COO + OH = CLC(CL)(CL)C=O + OH CONST: A: 9.80E-13 CLASS: GAS #G164 CLC(CL)(CL)COO = CLC(CL)(CL)C[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G165 CLC(CL)(CL)C[O] = CLC(CL)(CL)C=O + HO2 TEMP1: A: 2.50E-14 E/R: 300.0 FACTOR: $O2 CLASS: GAS #G166 OCC(CL)(CL)CL + OH = CLC(CL)(CL)C=O + HO2 CONST: A: 2.56E-12 CLASS: GAS #G167 CLC(CL)(CL)C=O + NO3 = CLC(CL)(CL)C(=O)O[O] + HNO3 TEMP1: A: 1.40E-12 E/R: 1860.0 CLASS: GAS #G168 CLC(CL)(CL)C=O + OH = CLC(CL)(CL)C(=O)O[O] CONST: A: 1.45E-12 CLASS: GAS #G169 CLC(CL)(CL)C=O = [O]OC(CL)(CL)CL + HO2 + CO PHOTMCM: I: 4.642E-05 M: 7.620E-01 N: 3.530E-01 CLASS: GAS #G170 OC(CL)(CL)C(CL)(CL)OO + OH = OC(CL)(CL)C(CL)(CL)O[O] CONST: A: 3.63E-12 CLASS: GAS #G171 OC(CL)(CL)C(CL)(CL)OO = OC(CL)(CL)C(CL)(CL)[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G172 OC(CL)(CL)C(CL)(CL)[O] = O=C(CL)CL + O=C(CL)CL + HO2 CONST: A: 1.00E+06 CLASS: GAS #G173 OC(CL)(CL)C(O)(CL)CL + OH = OC(CL)(CL)C(CL)(CL)[O] CONST: A: 7.18E-14 CLASS: GAS #G174 OC(CL)C(CL)(CL)OO + OH = OC(CL)C(CL)(CL)O[O] CONST: A: 3.84E-12 CLASS: GAS #G175 OC(CL)C(CL)(CL)OO = OC(CL)C(CL)(CL)[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G176 OC(CL)C(CL)(CL)[O] = O=C(CL)CL + O=CCL + HO2 CONST: A: 1.00E+06 CLASS: GAS #G177 OC(CL)(CL)C(O)CL + OH = OC(CL)(CL)C(=O)CL + HO2 CONST: A: 2.85E-13 CLASS: GAS #G178 OC(CL)(CL)C(CL)OO + OH = OC(CL)(CL)C(CL)O[O] CONST: A: 4.44E-12 CLASS: GAS #G179 OC(CL)(CL)C(CL)OO = OC(CL)(CL)C(CL)[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G180 OC(CL)(CL)C(CL)[O] = O=C(CL)CL + O=CCL + HO2 CONST: A: 1.00E+06 CLASS: GAS #G181 OC(CL)(CL)C(=O)CL + OH = O=C(CL)CL + CO + CL CONST: A: 3.59E-14 CLASS: GAS #G182 OC(CL)(CL)C(=O)CL = O=C(CL)CL + CO + CL + HO2 PHOTMCM: I: 2.792E-05 M: 8.050E-01 N: 3.380E-01 CLASS: GAS #G183 OC(CL)C(CL)OO + OH = OC(CL)C(CL)O[O] TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G184 OC(CL)C(CL)OO + OH = OC(CL)C(=O)CL + OH CONST: A: 6.54E-12 CLASS: GAS #G185 OC(CL)C(CL)OO = OC(CL)C(CL)[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G186 OC(CL)C(CL)[O] = O=CCL + O=CCL + HO2 CONST: A: 1.00E+06 CLASS: GAS #G187 OC(CL)C(O)CL + OH = OC(CL)C(=O)CL + HO2 CONST: A: 2.77E-12 CLASS: GAS #G188 OC(CL)C(=O)CL + OH = O=C(CL)C(=O)CL + HO2 CONST: A: 1.84E-12 CLASS: GAS #G189 OC(CL)C(=O)CL = O=CCL + O=CCL + HO2 PHOTMCM: I: 2.792E-05 M: 8.050E-01 N: 3.380E-01 CLASS: GAS #G190 CLCC(CL)OO + OH = CLCC(CL)O[O] CONST: A: 1.16E-11 CLASS: GAS #G191 CLCC(CL)OO = CLCC(CL)[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G192 CLCC(CL)[O] = CLCC=O + CL CONST: A: 1.00E+06 CLASS: GAS #G193 CLCC=O + NO3 = CLCC(=O)O[O] + HNO3 TEMP1: A: 1.40E-12 E/R: 1860.0 CLASS: GAS #G194 CLCC=O + OH = CLCC(=O)O[O] CONST: A: 2.09E-11 CLASS: GAS #G195 CLCC=O = CLCO[O] + HO2 + CO PHOTMCM: I: 4.642E-05 M: 7.620E-01 N: 3.530E-01 CLASS: GAS #G196 CLCC(O)CL + OH = CLCC(CL)[O] CONST: A: 3.75E-12 CLASS: GAS #G197 OOCL.OCCCL + OH = OCC(CL)(CL)O[O] CONST: A: 4.91E-12 CLASS: GAS #G198 OOCL.OCCCL = OCC(CL)(CL)[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G199 OCC(CL)(CL)[O] = O=C(CL)CL + C=O + HO2 CONST: A: 1.00E+06 CLASS: GAS #G200 OCC(O)(CL)CL + OH = OCC(CL)(CL)[O] CONST: A: 1.46E-12 CLASS: GAS #G201 OCC(O)(CL)CL + OH = OC(CL)(CL)C=O + HO2 CONST: A: 1.10E-12 CLASS: GAS #G202 OC(CL)(CL)COO + OH = OC(CL)(CL)CO[O] TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G203 OC(CL)(CL)COO + OH = OC(CL)(CL)C=O + OH CONST: A: 6.55E-12 CLASS: GAS #G204 OC(CL)(CL)COO = OC(CL)(CL)C[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G205 OC(CL)(CL)C[O] = C=O + O=C(CL)CL + HO2 CONST: A: 1.00E+06 CLASS: GAS #G206 OC(CL)(CL)C=O + NO3 = OC(CL)(CL)C(=O)O[O] + HNO3 TEMP1: A: 1.40E-12 E/R: 1860.0 CLASS: GAS #G207 OC(CL)(CL)C=O + OH = OC(CL)(CL)C(=O)O[O] CONST: A: 6.18E-12 CLASS: GAS #G208 OC(CL)(CL)C=O = O=C(CL)CL + HO2 + HO2 + CO PHOTMCM: I: 7.914E-05 M: 7.640E-01 N: 3.640E-01 CLASS: GAS #G209 CLCC(CL)COO + OH = CLCC(CL)CO[O] TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G210 CLCC(CL)COO + OH = CLCC(CL)C=O + OH CONST: A: 6.87E-12 CLASS: GAS #G211 CLCC(CL)COO = CLCC(CL)C[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G212 CLCC(CL)C[O] = CLCC(CL)C=O + HO2 TEMP1: A: 2.50E-14 E/R: 300.0 FACTOR: $O2 CLASS: GAS #G213 OCC(CL)CCL + OH = CLCC(CL)C=O + HO2 CONST: A: 1.10E-12 CLASS: GAS #G214 CLCC(CL)C=O + NO3 = CLCC(CL)C(=O)O[O] + HNO3 TEMP1: A: 3.36E-12 E/R: 1860.0 CLASS: GAS #G215 CLCC(CL)C=O + OH = CLCC(CL)C(=O)O[O] CONST: A: 7.63E-12 CLASS: GAS #G216 CLCC(CL)C=O = CLCC(CL)O[O] + HO2 + CO PHOTMCM: I: 7.914E-05 M: 7.640E-01 N: 3.640E-01 CLASS: GAS #G217 CC(CL)(OO)CCL + OH = CC(CL)(O[O])CCL TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G218 CC(CL)(OO)CCL = CC(CL)([O])CCL + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G219 CC(CL)([O])CCL = CC(=O)CCL + CL CONST: A: 1.00E+06 CLASS: GAS #G220 CC(O)(CL)CCL + OH = CC(CL)([O])CCL CONST: A: 7.44E-13 CLASS: GAS #G221 CC(CL)C(CL)OO + OH = CC(CL)C(=O)CL + OH CONST: A: 6.08E-12 CLASS: GAS #G222 CC(CL)C(CL)OO + OH = CC(CL)C(CL)O[O] TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G223 CC(CL)C(CL)OO = CC(CL)C(CL)[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G224 CC(CL)C(CL)[O] = CC(CL)C(=O)CL + HO2 TEMP1: A: 2.50E-14 E/R: 300.0 FACTOR: $O2 CLASS: GAS #G225 CC(CL)C(=O)CL + OH = CC(CL)(O[O])C(=O)CL CONST: A: 1.08E-12 CLASS: GAS #G226 CC(CL)C(=O)CL = CC(CL)O[O] + CO + CL PHOTMCM: I: 5.804E-06 M: 1.092E+00 N: 3.770E-01 CLASS: GAS #G227 CC(CL)C(O)CL + OH = CC(CL)C(=O)CL + HO2 CONST: A: 1.10E-12 CLASS: GAS #G228 CC(CL)(CL)OO + OH = CC(CL)(CL)O[O] TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G229 CC(CL)(CL)OO = CC(CL)(CL)[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G230 CC(CL)(CL)[O] = CC(=O)CL + CL CONST: A: 1.00E+06 CLASS: GAS #G231 CC(O)(CL)CL + OH = CC(CL)(CL)[O] CONST: A: 3.07E-13 CLASS: GAS #G232 CLC(CL)COO + OH = CLC(CL)CO[O] TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G233 CLC(CL)COO + OH = CLC(CL)C=O + OH CONST: A: 9.64E-12 CLASS: GAS #G234 CLC(CL)COO = CLC(CL)C[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G235 CLC(CL)C[O] = CLC(CL)C=O + HO2 TEMP1: A: 2.50E-14 E/R: 300.0 FACTOR: $O2 CLASS: GAS #G236 CLC(CL)C=O + NO3 = CLC(CL)C(=O)O[O] + HNO3 TEMP1: A: 1.40E-12 E/R: 1860.0 CLASS: GAS #G237 CLC(CL)C=O + OH = CLC(CL)C(=O)O[O] CONST: A: 3.09E-11 CLASS: GAS #G238 CLC(CL)C=O = [O]OC(CL)CL + HO2 + CO PHOTMCM: I: 7.914E-05 M: 7.640E-01 N: 3.640E-01 CLASS: GAS #G239 OCC(CL)CL + OH = CLC(CL)C=O + HO2 CONST: A: 1.10E-12 CLASS: GAS #G240 CLCCOO + OH = CLCCO[O] TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G241 CLCCOO + OH = CLCC=O + OH CONST: A: 1.37E-11 CLASS: GAS #G242 CLCCOO = CLCC[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G243 CLCC[O] = CLCC=O + HO2 TEMP1: A: 2.50E-14 E/R: 300.0 FACTOR: $O2 CLASS: GAS #G244 OCCCL + OH = CLCC=O + HO2 CONST: A: 4.60E-12 CLASS: GAS #G245 CC(CL)OO + OH = CC(CL)O[O] TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G246 CC(CL)OO + OH = CC(=O)CL + OH CONST: A: 9.95E-12 CLASS: GAS #G247 CC(CL)OO = CC(CL)[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G248 CC(CL)[O] = CC=O + CL CONST: A: 1.00E+06 CLASS: GAS #G249 CC(O)CL + OH = CC(=O)CL + HO2 CONST: A: 2.77E-12 CLASS: GAS #G250 CC(=O)CL + OH = O=C(CL)CO[O] CONST: A: 3.88E-14 CLASS: GAS #G251 CC(=O)CL = CC(=O)O[O] + CL PHOTMCM: I: 5.804E-06 M: 1.092E+00 N: 3.770E-01 CLASS: GAS #G252 CLC(CL)C(CL)(CL)OO + OH = CLC(CL)C(CL)(CL)O[O] TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G253 CLC(CL)C(CL)(CL)OO = CLC(CL)C(CL)(CL)[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G254 CLC(CL)C(CL)(CL)[O] = CLC(CL)C(=O)CL + CL CONST: A: 1.00E+06 CLASS: GAS #G255 CLC(CL)C(O)(CL)CL + OH = CLC(CL)C(CL)(CL)[O] CONST: A: 4.85E-13 CLASS: GAS #G256 CLCC(CL)(CL)OO + OH = CLCC(CL)(CL)O[O] CONST: A: 4.03E-12 CLASS: GAS #G257 CLCC(CL)(CL)OO = CLCC(CL)(CL)[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G258 CLCC(CL)(CL)[O] = CLCC(=O)CL + CL CONST: A: 1.00E+06 CLASS: GAS #G259 CLCC(O)(CL)CL + OH = CLCC(CL)(CL)[O] CONST: A: 5.77E-13 CLASS: GAS #G260 CLCC(=O)CL + OH = O=C(CL)C(CL)O[O] CONST: A: 6.26E-14 CLASS: GAS #G261 CLCC(=O)CL = CLCO[O] + CO + CL PHOTMCM: I: 5.804E-06 M: 1.092E+00 N: 3.770E-01 CLASS: GAS #G262 CLC(CL)C(CL)OO + OH = CLC(CL)C=O + OH CONST: A: 1.16E-11 CLASS: GAS #G263 CLC(CL)C(CL)OO + OH = CLC(CL)C(CL)O[O] TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G264 CLC(CL)C(CL)OO = CLC(CL)C(CL)[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G265 CLC(CL)C(CL)[O] = CLC(CL)C=O + CL CONST: A: 1.00E+06 CLASS: GAS #G266 CLC(CL)C(O)CL + OH = CLC(CL)C(CL)[O] CONST: A: 3.66E-12 CLASS: GAS #G267 CLC(ON(=O)=O)COO + OH = CLC(ON(=O)=O)CO[O] CONST: A: 7.22E-12 CLASS: GAS #G268 CLC(ON(=O)=O)COO = CLC(ON(=O)=O)C[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G269 CLC(ON(=O)=O)C[O] = CLC(ON(=O)=O)C=O + HO2 TEMP1: A: 2.50E-14 E/R: 300.0 FACTOR: $O2 CLASS: GAS #G270 CLC(ON(=O)=O)C[O] = C=O + HOCL + NO2 CONST: A: 7.00E-03 CLASS: GAS #G271 CLC(ON(=O)=O)C=O + OH = CO + O=CCL + NO2 CONST: A: 7.33E-12 CLASS: GAS #G272 CLC(ON(=O)=O)C=O = O=CCL + CO + HO2 + NO2 PHOTMCM: I: 7.549E-06 M: 1.015E+00 N: 3.240E-01 CLASS: GAS #G273 CLC(ON(=O)=O)C=O = O=CCL + CO + HO2 + NO2 PHOTMCM: I: 3.363E-06 M: 1.296E+00 N: 3.220E-01 CLASS: GAS #G274 CLC(ON(=O)=O)C=O = HO2 + CO + O=CCL + NO2 PHOTMCM: I: 2.792E-05 M: 8.050E-01 N: 3.380E-01 CLASS: GAS #G275 OCC(CL)ON(=O)=O + OH = CLC(ON(=O)=O)C=O + HO2 CONST: A: 1.88E-12 CLASS: GAS #G276 OOC(CL)CON(=O)=O + OH = [O]OC(CL)CON(=O)=O CONST: A: 5.20E-12 CLASS: GAS #G277 OOC(CL)CON(=O)=O = [O]C(CL)CON(=O)=O + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G278 [O]C(CL)CON(=O)=O = O=C(CL)CON(=O)=O + HO2 TEMP1: A: 2.50E-14 E/R: 300.0 FACTOR: $O2 CLASS: GAS #G279 [O]C(CL)CON(=O)=O = NO2 + C=O + O=CCL CONST: A: 7.00E-03 CLASS: GAS #G280 OC(CL)CON(=O)=O + OH = OC(CL)C=O + NO2 CONST: A: 1.03E-12 CLASS: GAS #G281 O=C(CL)CON(=O)=O + OH = O=C(CL)C=O + NO2 CONST: A: 3.91E-13 CLASS: GAS #G282 O=C(CL)CON(=O)=O = OC(CL)C[O] + NO2 PHOTMCM: I: 7.549E-06 M: 1.015E+00 N: 3.240E-01 CLASS: GAS #G283 O=C(CL)CON(=O)=O = C=O + CO + CL + NO2 PHOTMCM: I: 3.363E-06 M: 1.296E+00 N: 3.220E-01 CLASS: GAS #G284 O=C(CL)CON(=O)=O = C=O + NO2 + CO + CL PHOTMCM: I: 2.792E-05 M: 8.050E-01 N: 3.380E-01 CLASS: GAS #G285 [O-][O+]=CCL + CO = O=CCL CONST: A: 1.20E-15 CLASS: GAS #G286 [O-][O+]=CCL + NO = O=CCL + NO2 CONST: A: 1.00E-14 CLASS: GAS #G287 [O-][O+]=CCL + NO2 = O=CCL + NO3 CONST: A: 1.00E-15 CLASS: GAS #G288 [O-][O+]=CCL + SO2 = O=CCL + SULF CONST: A: 7.00E-14 CLASS: GAS #G289 [O-][O+]=CCL = O=CCL + H2O2 CONST: A: 6.00E-18 FACTOR: $H2O CLASS: GAS #G290 [O-][O+]=CCL = OC(=O)CL CONST: A: 1.00E-17 FACTOR: $H2O CLASS: GAS #G291 OC(CL)COO + OH = OC(CL)CO[O] TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G292 OC(CL)COO + OH = OC(CL)C=O + OH CONST: A: 6.05E-12 CLASS: GAS #G293 OC(CL)COO = OC(CL)C[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G294 OC(CL)C[O] = C=O + O=CCL + HO2 CONST: A: 1.00E+06 CLASS: GAS #G295 OC(CL)C=O + NO3 = OC(CL)C(=O)O[O] + HNO3 TEMP1: A: 1.40E-12 E/R: 1860.0 CLASS: GAS #G296 OC(CL)C=O + OH = OC(CL)C(=O)O[O] CONST: A: 8.80E-12 CLASS: GAS #G297 OC(CL)C=O = OC(CL)C[O] + OH PHOTMCM: I: 2.792E-05 M: 8.050E-01 N: 3.380E-01 CLASS: GAS #G298 OCC(O)CL + OH = OC(CL)C=O + HO2 CONST: A: 4.63E-12 CLASS: GAS #G299 OCC(CL)OO + OH = OCC(CL)O[O] TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G300 OCC(CL)OO + OH = OCC(=O)CL + OH CONST: A: 8.90E-12 CLASS: GAS #G301 OCC(CL)OO = OCC(CL)[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G302 OCC(CL)[O] = C=O + O=CCL + HO2 CONST: A: 1.00E+06 CLASS: GAS #G303 OCC(=O)CL + OH = O=C(CL)C=O + HO2 CONST: A: 2.86E-12 CLASS: GAS #G304 OCC(=O)CL = C=O + HO2 + CL + CO PHOTMCM: I: 2.792E-05 M: 8.050E-01 N: 3.380E-01 CLASS: GAS #G305 CC(=O)O[O] + HO2 = 0.15 CC(=O)O + 0.15 O3 + 0.41 CC(=O)OO + 0.44 CO[O] + 0.44 OH TEMP1: A: 5.20E-13 E/R: -980.0 CLASS: GAS #G306 CC(=O)O[O] + NO = NO2 + CO[O] TEMP1: A: 7.50E-12 E/R: -290.0 CLASS: GAS #G307 CC(=O)O[O] + NO2 = CC(=O)OON(=O)=O TROEMCM: K1: 2.70E-28 K2: -7.1 K3: 0.0 K4: 1.20E-11 K5: -0.9 K6: 0.0 K7: 3.00E-01 K8: 0.0 K9: 0.0 K10: -1.0 CLASS: GAS #G308 CC(=O)O[O] + NO3 = NO2 + CO[O] CONST: A: 4.00E-12 CLASS: GAS #G309 CLC(CL)(CL)C(=O)O[O] = [O]OC(CL)(CL)CL CONST: A: 1.00E-11 FACTOR: $RO2 CLASS: GAS #G310 O=C(CL)C(=O)CL = CO + CO + CL + CL PHOTMCM: I: 5.584E-05 M: 8.050E-01 N: 3.380E-01 CLASS: GAS #G311 CLCC(=O)O[O] + HO2 = 0.44 CLCO[O] + 0.44 OH + 0.15 CLCC(=O)O + 0.15 O3 + 0.41 CLCC(=O)OO TEMP1: A: 5.20E-13 E/R: -980.0 CLASS: GAS #G312 CLCC(=O)O[O] + NO = CLCO[O] + NO2 TEMP1: A: 7.50E-12 E/R: -290.0 CLASS: GAS #G313 CLCC(=O)O[O] + NO2 = CLCC(=O)OON(=O)=O TROEMCM: K1: 2.70E-28 K2: -7.1 K3: 0.0 K4: 1.20E-11 K5: -0.9 K6: 0.0 K7: 3.00E-01 K8: 0.0 K9: 0.0 K10: -1.0 CLASS: GAS #G314 CLCC(=O)O[O] + NO3 = CLCO[O] + NO2 CONST: A: 4.00E-12 CLASS: GAS #G315 CLCC(=O)O[O] = 0.70 CLCO[O] + 0.30 CLCC(=O)O CONST: A: 1.00E-11 FACTOR: $RO2 CLASS: GAS #G316 OC(CL)(CL)C(=O)O[O] + HO2 = 0.56 OC(CL)(CL)C(=O)OO + 0.44 O=C(CL)CL + 0.44 HO2 + 0.44 OH TEMP1: A: 5.20E-13 E/R: -980.0 CLASS: GAS #G317 OC(CL)(CL)C(=O)O[O] + NO = O=C(CL)CL + HO2 + NO2 TEMP1: A: 7.50E-12 E/R: -290.0 CLASS: GAS #G318 OC(CL)(CL)C(=O)O[O] + NO2 = O=N(=O)OOC(=O)C(O)(CL)CL TROEMCM: K1: 2.70E-28 K2: -7.1 K3: 0.0 K4: 1.20E-11 K5: -0.9 K6: 0.0 K7: 3.00E-01 K8: 0.0 K9: 0.0 K10: -1.0 CLASS: GAS #G319 OC(CL)(CL)C(=O)O[O] + NO3 = O=C(CL)CL + HO2 + NO2 CONST: A: 4.00E-12 CLASS: GAS #G320 OC(CL)(CL)C(=O)O[O] = O=C(CL)CL + HO2 CONST: A: 7.00E-12 FACTOR: $RO2 CLASS: GAS #G321 CLCC(CL)C(=O)O[O] + HO2 = 0.15 CLCC(CL)C(=O)O + 0.15 O3 + 0.41 CLCC(CL)C(=O)OO + 0.44 CLCC(CL)O[O] + 0.44 OH TEMP1: A: 5.20E-13 E/R: -980.0 CLASS: GAS #G322 CLCC(CL)C(=O)O[O] + NO = CLCC(CL)O[O] + NO2 TEMP1: A: 7.50E-12 E/R: -290.0 CLASS: GAS #G323 CLCC(CL)C(=O)O[O] + NO2 = CLCC(CL)C(=O)OON(=O)=O TROEMCM: K1: 2.70E-28 K2: -7.1 K3: 0.0 K4: 1.20E-11 K5: -0.9 K6: 0.0 K7: 3.00E-01 K8: 0.0 K9: 0.0 K10: -1.0 CLASS: GAS #G324 CLCC(CL)C(=O)O[O] + NO3 = CLCC(CL)O[O] + NO2 CONST: A: 4.00E-12 CLASS: GAS #G325 CLCC(CL)C(=O)O[O] = 0.30 CLCC(CL)C(=O)O + 0.70 CLCC(CL)O[O] CONST: A: 1.00E-11 FACTOR: $RO2 CLASS: GAS #G326 CC(=O)CCL + OH = CC(=O)C(CL)O[O] CONST: A: 3.68E-13 CLASS: GAS #G327 CC(=O)CCL = CO[O] + CLCC(=O)O[O] PHOTMCM: I: 5.804E-06 M: 1.092E+00 N: 3.770E-01 CLASS: GAS #G328 CC(CL)(O[O])C(=O)CL + HO2 = CC(CL)(OO)C(=O)CL TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G329 CC(CL)(O[O])C(=O)CL + NO = CC(CL)([O])C(=O)CL + NO2 TEMP1: A: 2.70E-12 E/R: -360.0 CLASS: GAS #G330 CC(CL)(O[O])C(=O)CL + NO3 = CC(CL)([O])C(=O)CL + NO2 CONST: A: 2.30E-12 CLASS: GAS #G331 CC(CL)(O[O])C(=O)CL = CC(CL)([O])C(=O)CL CONST: A: 9.20E-14 FACTOR: $RO2 CLASS: GAS #G332 CLC(CL)C(=O)O[O] + HO2 = 0.15 CLC(CL)C(=O)O + 0.15 O3 + 0.41 CLC(CL)C(=O)OO + 0.44 [O]OC(CL)CL + 0.44 OH TEMP1: A: 5.20E-13 E/R: -980.0 CLASS: GAS #G333 CLC(CL)C(=O)O[O] + NO = [O]OC(CL)CL + NO2 TEMP1: A: 7.50E-12 E/R: -290.0 CLASS: GAS #G334 CLC(CL)C(=O)O[O] + NO2 = O=N(=O)OOC(=O)C(CL)CL TROEMCM: K1: 2.70E-28 K2: -7.1 K3: 0.0 K4: 1.20E-11 K5: -0.9 K6: 0.0 K7: 3.00E-01 K8: 0.0 K9: 0.0 K10: -1.0 CLASS: GAS #G335 CLC(CL)C(=O)O[O] + NO3 = [O]OC(CL)CL + NO2 CONST: A: 4.00E-12 CLASS: GAS #G336 CLC(CL)C(=O)O[O] = 0.30 CLC(CL)C(=O)O + 0.70 [O]OC(CL)CL CONST: A: 1.00E-11 FACTOR: $RO2 CLASS: GAS #G337 O=C(CL)CO[O] + HO2 = O=C(CL)COO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G338 O=C(CL)CO[O] + NO = O=C(CL)C[O] + NO2 TEMP1: A: 3.24E-12 E/R: -360.0 CLASS: GAS #G339 O=C(CL)CO[O] + NO3 = O=C(CL)C[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G340 O=C(CL)CO[O] = O=C(CL)C[O] CONST: A: 2.00E-12 FACTOR: $RO2 CLASS: GAS #G341 CLC(CL)C(=O)CL + OH = O=C(CL)C(CL)(CL)O[O] CONST: A: 5.53E-12 CLASS: GAS #G342 CLC(CL)C(=O)CL = [O]OC(CL)CL + CO + CL PHOTMCM: I: 5.804E-06 M: 1.092E+00 N: 3.770E-01 CLASS: GAS #G343 O=C(CL)C(CL)O[O] + HO2 = O=C(CL)C(CL)OO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G344 O=C(CL)C(CL)O[O] + NO = O=C(CL)C(CL)[O] + NO2 TEMP1: A: 4.05E-12 E/R: -360.0 CLASS: GAS #G345 O=C(CL)C(CL)O[O] + NO3 = O=C(CL)C(CL)[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G346 O=C(CL)C(CL)O[O] = 0.20 OC(CL)C(=O)CL + 0.60 O=C(CL)C(CL)[O] + 0.20 O=C(CL)C(=O)CL CONST: A: 8.80E-13 FACTOR: $RO2 CLASS: GAS #G347 O=C(CL)C=O + NO3 = CO + CO + CL + HNO3 TEMP1: A: 1.40E-12 E/R: 1860.0 CLASS: GAS #G348 O=C(CL)C=O + OH = CO + CO + CL CONST: A: 1.40E-11 CLASS: GAS #G349 O=C(CL)C=O = CO + CO + HO2 + CL PHOTMCM: I: 1.537E-04 M: 1.700E-01 N: 2.080E-01 CLASS: GAS #G350 OC(=O)CL + OH = CL CONST: A: 5.20E-13 CLASS: GAS #G351 OC(CL)C(=O)O[O] + HO2 = 0.44 O=CCL + 0.44 HO2 + 0.44 OH + 0.15 OC(CL)C(=O)O + 0.15 O3 + 0.41 OC(CL)C(=O)OO TEMP1: A: 5.20E-13 E/R: -980.0 CLASS: GAS #G352 OC(CL)C(=O)O[O] + NO = O=CCL + HO2 + NO2 TEMP1: A: 7.50E-12 E/R: -290.0 CLASS: GAS #G353 OC(CL)C(=O)O[O] + NO2 = O=N(=O)OOC(=O)C(O)CL TROEMCM: K1: 2.70E-28 K2: -7.1 K3: 0.0 K4: 1.20E-11 K5: -0.9 K6: 0.0 K7: 3.00E-01 K8: 0.0 K9: 0.0 K10: -1.0 CLASS: GAS #G354 OC(CL)C(=O)O[O] + NO3 = O=CCL + HO2 + NO2 CONST: A: 4.00E-12 CLASS: GAS #G355 OC(CL)C(=O)O[O] = 0.7 O=CCL + 0.7 HO2 + 0.3 OC(CL)C(=O)O CONST: A: 5.00E-12 FACTOR: $RO2 CLASS: GAS #G356 CLC(CL)(CL)C(=O)OO + OH = CLC(CL)(CL)C(=O)O[O] TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G357 CLC(CL)(CL)C(=O)OO = [O]OC(CL)(CL)CL + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G358 O=N(=O)OOC(=O)C(CL)(CL)CL = CLC(CL)(CL)C(=O)O[O] + NO2 TROEMCM: K1: 4.90E-03 K2: 0.0 K3: -12100.0 K4: 5.40E+16 K5: 0.0 K6: -13830.0 K7: 3.00E-01 K8: 0.0 K9: 0.0 K10: -1.0 CLASS: GAS #G359 CLCC(=O)O + OH = CLCO[O] TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G360 CLCC(=O)OO + OH = CLCC(=O)O[O] CONST: A: 4.29E-12 CLASS: GAS #G361 CLCC(=O)OO = CLCO[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G362 CLCC(=O)OON(=O)=O + OH = O=CCL + CO + NO2 CONST: A: 6.26E-13 CLASS: GAS #G363 CLCC(=O)OON(=O)=O = CLCC(=O)O[O] + NO2 TROEMCM: K1: 4.90E-03 K2: 0.0 K3: -12100.0 K4: 5.40E+16 K5: 0.0 K6: -13830.0 K7: 3.00E-01 K8: 0.0 K9: 0.0 K10: -1.0 CLASS: GAS #G364 OC(CL)(CL)C(=O)OO + OH = OC(CL)(CL)C(=O)O[O] CONST: A: 3.59E-12 CLASS: GAS #G365 OC(CL)(CL)C(=O)OO = O=C(CL)CL + HO2 + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G366 O=N(=O)OOC(=O)C(O)(CL)CL + OH = OC(CL)(CL)C(=O)O[O] + NO2 CONST: A: 6.00E-13 CLASS: GAS #G367 O=N(=O)OOC(=O)C(O)(CL)CL = OC(CL)(CL)C(=O)O[O] + NO2 TROEMCM: K1: 4.90E-03 K2: 0.0 K3: -12100.0 K4: 5.40E+16 K5: 0.0 K6: -13830.0 K7: 3.00E-01 K8: 0.0 K9: 0.0 K10: -1.0 CLASS: GAS #G368 CLCC(CL)C(=O)O + OH = CLCC(CL)O[O] CONST: A: 2.10E-12 CLASS: GAS #G369 CLCC(CL)C(=O)OO + OH = CLCC(CL)C(=O)O[O] CONST: A: 5.65E-12 CLASS: GAS #G370 CLCC(CL)C(=O)OO = CLCC(CL)O[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G371 CLCC(CL)C(=O)OON(=O)=O + OH = CLCC(=O)CL + CO + NO2 CONST: A: 2.42E-12 CLASS: GAS #G372 CLCC(CL)C(=O)OON(=O)=O = CLCC(CL)C(=O)O[O] + NO2 TROEMCM: K1: 4.90E-03 K2: 0.0 K3: -12100.0 K4: 5.40E+16 K5: 0.0 K6: -13830.0 K7: 3.00E-01 K8: 0.0 K9: 0.0 K10: -1.0 CLASS: GAS #G373 CC(=O)C(CL)O[O] + HO2 = CC(=O)C(CL)OO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G374 CC(=O)C(CL)O[O] + NO = CC(=O)C(CL)[O] + NO2 TEMP1: A: 2.70E-12 E/R: -360.0 CLASS: GAS #G375 CC(=O)C(CL)O[O] + NO3 = CC(=O)C(CL)[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G376 CC(=O)C(CL)O[O] = CC(=O)C(CL)[O] CONST: A: 8.80E-13 FACTOR: $RO2 CLASS: GAS #G377 CC(CL)(OO)C(=O)CL + OH = CC(CL)(O[O])C(=O)CL CONST: A: 4.12E-12 CLASS: GAS #G378 CC(CL)(OO)C(=O)CL = CC(CL)([O])C(=O)CL + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G379 CC(CL)([O])C(=O)CL = CC(=O)CL + CO + CL CONST: A: 1.00E+06 CLASS: GAS #G380 CLC(CL)C(=O)O + OH = [O]OC(CL)CL TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G381 CLC(CL)C(=O)OO + OH = CLC(CL)C(=O)O[O] CONST: A: 3.80E-12 CLASS: GAS #G382 CLC(CL)C(=O)OO = [O]OC(CL)CL + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G383 O=N(=O)OOC(=O)C(CL)CL + OH = O=C(CL)CL + CO + NO2 CONST: A: 5.70E-13 CLASS: GAS #G384 O=N(=O)OOC(=O)C(CL)CL = CLC(CL)C(=O)O[O] + NO2 TROEMCM: K1: 4.90E-03 K2: 0.0 K3: -12100.0 K4: 5.40E+16 K5: 0.0 K6: -13830.0 K7: 3.00E-01 K8: 0.0 K9: 0.0 K10: -1.0 CLASS: GAS #G385 O=C(CL)COO + OH = O=C(CL)CO[O] CONST: A: 7.25E-12 CLASS: GAS #G386 O=C(CL)COO = O=C(CL)C[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G387 O=C(CL)C[O] = C=O + CO + CL CONST: A: 1.00E+06 CLASS: GAS #G388 O=C(CL)C(CL)(CL)O[O] + HO2 = O=C(CL)C(CL)(CL)OO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G389 O=C(CL)C(CL)(CL)O[O] + NO = O=C(CL)C(CL)(CL)[O] + NO2 TEMP1: A: 4.05E-12 E/R: -360.0 CLASS: GAS #G390 O=C(CL)C(CL)(CL)O[O] + NO3 = O=C(CL)C(CL)(CL)[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G391 O=C(CL)C(CL)(CL)O[O] = 0.30 OC(CL)(CL)C(=O)CL + 0.70 O=C(CL)C(CL)(CL)[O] CONST: A: 9.20E-14 FACTOR: $RO2 CLASS: GAS #G392 O=C(CL)C(CL)OO + OH = O=C(CL)C(CL)O[O] TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G393 O=C(CL)C(CL)OO + OH = O=C(CL)C(=O)CL + OH CONST: A: 4.00E-12 CLASS: GAS #G394 O=C(CL)C(CL)OO = O=C(CL)C(CL)[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G395 O=C(CL)C(CL)[O] = O=CCL + CO + CL CONST: A: 1.00E+06 CLASS: GAS #G396 OC(CL)C(=O)O + OH = O=CCL + HO2 CONST: A: 2.57E-12 CLASS: GAS #G397 OC(CL)C(=O)OO + OH = OC(CL)C(=O)O[O] CONST: A: 5.67E-12 CLASS: GAS #G398 OC(CL)C(=O)OO = O=CCL + HO2 + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G399 O=N(=O)OOC(=O)C(O)CL + OH = O=CCL + CO + NO2 CONST: A: 2.08E-12 CLASS: GAS #G400 O=N(=O)OOC(=O)C(O)CL = OC(CL)C(=O)O[O] + NO2 TROEMCM: K1: 4.90E-03 K2: 0.0 K3: -12100.0 K4: 5.40E+16 K5: 0.0 K6: -13830.0 K7: 3.00E-01 K8: 0.0 K9: 0.0 K10: -1.0 CLASS: GAS #G401 CC(=O)C(CL)OO + OH = CC(=O)C(CL)O[O] CONST: A: 8.34E-12 CLASS: GAS #G402 CC(=O)C(CL)OO = CC(=O)C(CL)[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G403 CC(=O)C(CL)[O] = O=CCL + CC(=O)O[O] CONST: A: 1.00E+06 CLASS: GAS #G404 O=C(CL)C(CL)(CL)OO + OH = O=C(CL)C(CL)(CL)O[O] TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G405 O=C(CL)C(CL)(CL)OO = O=C(CL)C(CL)(CL)[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G406 O=C(CL)C(CL)(CL)[O] = O=C(CL)C(=O)CL + CL CONST: A: 1.00E+06 CLASS: GAS #G407 CL2 = CL + CL PHOTMCM: I: 3.827e-3 M: 0.543 N: 0.244 CLASS: GAS #G408 CLO = CL + O3PX PHOTMCM: I: 4.755e-4 M: 1.258 N: 0.588 CLASS: GAS #G409 OCLO = CLO + O3PX PHOTMCM: I: 1.332e-1 M: 0.416 N: 0.244 CLASS: GAS #G410 CL2O2 = CL + CLO2 PHOTMCM: I: 2.294e-3 M: 0.745 N: 0.223 CLASS: GAS #G411 CL2O3 = CLO + OCLO PHOTMCM: I: 1.558e-3 M: 1.324 N: 0.462 CLASS: GAS #G412 HOCL = CL + OH PHOTMCM: I: 4.615e-4 M: 0.656 N: 0.240 CLASS: GAS #G413 CLNO = CL + NO PHOTMCM: I: 4.755e-3 M: 0.408 N: 0.217 CLASS: GAS #G414 CLNO2 = CL + NO2 PHOTMCM: I: 6.219e-4 M: 0.774 N: 0.255 CLASS: GAS #G415 CLNO3 = CL + NO3 PHOTMCM: I: 6.420e-5 M: 0.648 N: 0.217 CLASS: GAS #G416 CLNO3 = CLO + NO2 PHOTMCM: I: 1.393e-5 M: 1.052 N: 0.243 CLASS: GAS #G417 CC(=O)C(=O)CL = O=[C]CL + CC(=O)O[O] PHOTMCM: I: 1.853E-04 M: 0.583 N: 0.225 CLASS: GAS #G418 CLCC(=O)O = CLC[O] + OH PHOTMCM: I: 7.649e-6 M: 0.682 N: 0.279 CLASS: GAS #G419 BR2 = BR + BR PHOTMCM: I: 4.773e-2 M: 0.193 N: 0.213 CLASS: GAS #G420 BRO = BR + O3PX PHOTMCM: I: 6.368e-2 M: 0.605 N: 0.269 CLASS: GAS #G421 OBRO = BRO + O3PX PHOTMCM: I: 6.880e-1 M: 0.144 N: 0.198 CLASS: GAS #G422 HOBR = BR + OH PHOTMCM: I: 3.464e-3 M: 0.441 N: 0.214 CLASS: GAS #G423 BRNO2 = BR + NO2 PHOTMCM: I: 7.443e-3 M: 0.355 N: 0.236 CLASS: GAS #G424 BRNO3 = BR + NO3 PHOTMCM: I: 6.363e-4 M: 0.492 N: 0.215 CLASS: GAS #G425 BRNO3 = BRO + NO2 PHOTMCM: I: 1.558e-3 M: 0.490 N: 0.216 CLASS: GAS #G426 BRCL = BR + CL PHOTMCM: I: 1.650e-2 M: 0.297 N: 0.224 CLASS: GAS #G427 CC(=O)CBR = 0.7 O=[C]BR + 0.7 CC(=O)O[O] + 0.3 BRCC(=O)O[O] + 0.3 CO[O] PHOTMCM: I: 3.523e-04 M: 0.885 N: 0.283 CLASS: GAS #G428 CC(=O)C(=O)BR = O=[C]BR + CC(=O)O[O] PHOTMCM: I: 1.853E-04 M: 0.583 N: 0.225 CLASS: GAS #G429 BRC(BR)BR = BR + BRC(BR)O[O] PHOTMCM: I: 2.228e-6 M: 1.471 N: 0.230 CLASS: GAS #G430 BRCBR = BR + BRCO[O] PHOTMCM: I: 5.600e-9 M: 2.763 N: 1.922 CLASS: GAS #G431 O=C(BR)BR = 2.0 BR + CO PHOTMCM: I: 4.377e-6 M: 1.360 N: 0.273 CLASS: GAS #G432 I2 = I + I PHOTMCM: I: 2.165e-1 M: 0.125 N: 0.185 CLASS: GAS #G433 IO = I + O3PX PHOTMCM: I: 2.640e-3 M: 0.240 N: 0.240 CLASS: GAS #G434 OIO = I PHOTMCM: I: 4.054e-2 M: 0.119 N: 0.185 CLASS: GAS #G435 OIO = IO + O3PX PHOTMCM: I: 1.894e-3 M: 0.119 N: 0.185 CLASS: GAS #G436 I2O2 = 2.0 I PHOTMCM: I: 2.294e-3 M: 0.745 N: 0.223 CLASS: GAS #G437 HI = I + HO2 PHOTMCM: I: 2.104e-4 M: 1.123 N: 0.281 CLASS: GAS #G438 HOI = I + OH PHOTMCM: I: 1.469e-2 M: 0.342 N: 0.236 CLASS: GAS #G439 INO = I + NO PHOTMCM: I: 4.849e-2 M: 0.284 N: 0.232 CLASS: GAS #G440 INO2 = I + NO2 PHOTMCM: I: 5.036e-3 M: 0.568 N: 0.256 CLASS: GAS #G441 INO3 = I + NO3 PHOTMCM: I: 6.599e-2 M: 0.530 N: 0.243 CLASS: GAS #G442 INO3 = IO + NO2 PHOTMCM: I: 1.165e-2 M: 0.528 N: 0.244 CLASS: GAS #G443 ICL = I + CL PHOTMCM: I: 3.403e-2 M: 0.179 N: 0.207 CLASS: GAS #G444 IBR = I + BR PHOTMCM: I: 1.000e-1 M: 0.149 N: 0.197 CLASS: GAS #PG445 CC(I)C = I + CC(O[O])C PHOTMCM: I: 3.731e-5 M: 1.292 N: 0.217 CLASS: GAS #G446 ICC = I + CCO[O] PHOTMCM: I: 1.386e-5 M: 1.324 N: 0.224 CLASS: GAS #G447 ICC=O = [O]OCI + CO + HO2 PHOTMCM: I: 4.642e-5 M: 0.762 N: 0.353 CLASS: GAS #G448 ICC(=O)OO = [O]OCI + CO2 + OH PHOTMCM: I: 7.649e-6 M: 0.682 N: 0.279 CLASS: GAS #G449 ICI = I + [O]OCI PHOTMCM: I: 1.496e-2 M: 0.801 N: 0.265 CLASS: GAS #G450 CI = I + CO[O] PHOTMCM: I: 1.206e-5 M: 1.254 N: 0.231 CLASS: GAS #G451 OOCI = [O]CI + OH PHOTMCM: I: 7.649e-6 M: 0.682 N: 0.279 CLASS: GAS #G452 O=CI = I + CO + HO2 PHOTMCM: I: 2.547e-5 M: 1.393 N: 0.361 CLASS: GAS #G453 CLCI = I + CLCO[O] PHOTMCM: I: 6.910e-4 M: 1.057 N: 0.238 CLASS: GAS #G454 BRCI = I + BRCO[O] PHOTMCM: I: 4.261e-4 M: 0.976 N: 0.250 CLASS: GAS #G55 CL + O3 = CLO TEMP1: A: 2.8E-11 E/R: 250.0 CLASS: GAS #G456 CL + H2 = HCL + HO2 TEMP1: A: 3.9E-11 E/R: 2310.0 CLASS: GAS #G457 IUPAC revised CL + HO2 = HCL CONST: A: 3.48E-11 CLASS: GAS #G458 IUPAC revised CL + HO2 = CLO + OH TEMP1: A: 7.48E-11 E/R: 620.0 CLASS: GAS #G459 CL + H2O2 = HCL + HO2 TEMP1: A: 1.1E-11 E/R: 980.0 CLASS: GAS #G460 CL2 + OH = HOCL + CL TEMP1: A: 3.6E-12 E/R: 1200.0 CLASS: GAS #G461 CLO + O3 = CLO2 TEMP1: A: 2.0E-12 E/R: 3600.0 CLASS: GAS #G462 CLO + O3 = OCLO TEMP1: A: 1.0E-12 E/R: 4000.0 CLASS: GAS #G463 CLO + OH = 0.94 HO2 + 0.94 CL + 0.06 HCL TEMP1: A: 7.3E-12 E/R: -300.0 CLASS: GAS #G464 CLO + HO2 = HOCL TEMP1: A: 2.2E-12 E/R: -340.0 CLASS: GAS #G465 CLO + CLO = CL2 TEMP1: A: 1.0E-12 E/R: 1590.0 CLASS: GAS #G466 CLO + CLO = CL + CLO2 TEMP1: A: 3.0E-11 E/R: 2450.0 CLASS: GAS #G467 CLO + CLO = CL + OCLO TEMP1: A: 3.5E-13 E/R: 1370.0 CLASS: GAS #G468 CLO + CLO = CL2O2 TROE: KO: 1.9E-32 N: 3.6 KINF: 3.7E-12 M: 1.6 CLASS: GAS #G469 CL = CLO2 TROE: KO: 2.2E-33 N: 3.1 KINF: 1.8E-10 M: 0.0 FACTOR: $O2 CLASS: GAS #G470 CLO2 = CL TEMP1: A: 2.8E-10 E/R: 1820.0 FACTOR: $N2 CLASS: GAS #G471 CL + CLO2 = 0.1 CLO + 0.95 CL2 CONST: A: 2.42E-10 CLASS: GAS #G472 CL2O2 = CLO + CLO TROEXP: KO: 3.7E-7 E1/R: 7690.0 KINF: 7.9E15 E2/R: 8820.0 F: 0.45 CLASS: GAS #G473 CL2O2 + O3 = CLO + CLO2 CONST: A: 1.0E-19 CLASS: GAS #G474 CL2O2 + CL = CL2 + CLO2 TEMP1: A: 7.6E-11 E/R: -65.0 CLASS: GAS #G475 OCLO + OH = HOCL TEMP1: A: 1.4E-12 E/R: -600.0 CLASS: GAS #G476 OCLO + CL = CLO + CLO TEMP1: A: 3.2E-11 E/R: -170.0 CLASS: GAS #G477 OCLO + CLO = CL2O3 TROE: KO: 6.2E-32 N: 4.7 KINF: 2.4E-11 M: 0.0 CLASS: GAS #G478 CL2O3 = OCLO + CLO TROEXP: KO: 1.4E-10 E1/R: 3810.0 KINF: 2.5E12 E2/R: 4940.0 F: 0.6 CLASS: GAS #G479 HCL + OH = CL TEMP1: A: 1.7E-12 E/R: 230.0 CLASS: GAS #G480 HOCL + OH = CLO TEMP1: A: 3.0E-12 E/R: 500.0 CLASS: GAS #G481 Sander et al. 2011 HOCL + CL = 0.76 HCL + 0.76 CLO + 0.24 CL2 + 0.24 OH TEMP1: A: 3.4E-12 E/R: 130.0 CLASS: GAS #G482 CLO + NO = CL + NO2 TEMP1: A: 6.2E-12 E/R: -295.0 CLASS: GAS #G483 OCLO + NO = CLO + NO2 TEMP1: A: 1.1E-13 E/R: -350.0 CLASS: GAS #G484 CL + NO3 = CLO + NO2 CONST: A: 2.4E-11 CLASS: GAS #G485 CLO + NO3 = 0.68 CLO2 + 0.32 OCLO + NO2 CONST: A: 4.61E-13 CLASS: GAS #G486 CL + NO = CLNO SPEC2: A: 7.6E-32 B: -1.8 CLASS: GAS #G487 CL + CLNO = CL2 + NO TEMP1: A: 5.8E-11 E/R: -100.0 CLASS: GAS #G488 CL + NO2 = CLNO2 TROE: KO: 1.8E-31 N: 2.0 KINF: 1.0E-10 M: 1.0 CLASS: GAS #G489 CLNO2 + OH = HOCL + NO2 TEMP1: A: 2.4E-12 E/R: 1250.0 CLASS: GAS #G490 CLO + NO2 = CLNO3 TROEF: KO: 1.6E-31 N: 3.4 KINF: 7.0E-11 M: 0.0 F: 0.4 CLASS: GAS #G491 CLNO3 = CLO + NO2 SPEC4: C1: 0.0 C2: 0.0 C3: 2.75E-6 C4: -11438.0 CLASS: GAS #G492 CLNO3 + OH = 0.5 HOCL + 0.5 NO3 + 0.5 CLO + 0.5 HNO3 TEMP1: A: 1.2E-12 E/R: 330.0 CLASS: GAS #G493 CLNO3 + CL = CL2 + NO3 TEMP1: A: 6.2E-12 E/R: -145.0 CLASS: GAS #G494 CL + OC = C=O + HO2 + HCL TEMP1: A: 7.10E-11 E/R: 75 CLASS: GAS #G495 CL + CCO = 0.92 CC=O + 0.92 HO2 + 0.08 OCCO[O] + HCL TEMP1: A: 6.05E-11 E/R: -155.0 CLASS: GAS #G496 CL + CCCO = 0.6 CCC=O + 0.6 HO2 + 0.15 OCCCO[O] + 0.25 CC(O[O])CO + HCL TEMP1: A: 2.7E-11 E/R: -525.0 CLASS: GAS #G497 CL + CC(O)C = 0.85 CC(=O)C + 0.85 HO2 + 0.15 CC(O)CO[O] + HCL CONST: A: 8.7E-11 CLASS: GAS #G498 CL + CCCCO = 0.358 CCCC=O + 0.358 HO2 + 0.321 CCC(O[O])CO + 0.321 CC(O[O])CCO + HCL TEMP1: A: 3.5E-11 E/R: -550.0 CLASS: GAS #G499 CL + CCC(O)C = HCL + 0.361 CC(O)C(O[O])C + 0.639 CCC(=O)C + 0.639 HO2 TEMP1: A: 6.16E-11 E/R: -174.0 CLASS: GAS #G500 CL + CC(C)CO = HCL + 0.558 CC(O[O])(C)CO + 0.090 CC(CO)CO[O] + 0.352 CC(C)C=O + 0.352 HO2 CONST: A: 1.89E-10 CLASS: GAS #G501 CL + CC(O)(C)C = HCL + 0.888 CC(O)(C)CO[O] + 0.112 CC([O])(C)C CONST: A: 3.28E-11 CLASS: GAS #G502 CL + CCCCCO = HCL + CCCCC=O + HO2 TEMP1: A: 4.49E-11 E/R: -533.0 CLASS: GAS #G503 CL + CCCC(O)C = HCL + CCCC(=O)C + HO2 CONST: A: 2.10E-10 CLASS: GAS #G504 CL + CCC(O)CC = HCL + 0.436 CCC(=O)CC + 0.436 HO2 + 0.070 CCC(O)CCO[O] + 0.493 CCC(O)C(O[O])C CONST: A: 2.03E-10 CLASS: GAS #G505 CL + CCC(C)CO = HCL + 0.288 CCC(C)C=O + 0.288 HO2 + 0.258 CC(O[O])C(C)CO + 0.454 CCC(O[O])(C)CO CONST: A: 1.91E-10 CLASS: GAS #G506 CL + CC(C)CCO = HCL + 0.288 CC(C)CC=O + 0.288 HO2 + 0.454 CC(O[O])(C)CCO + 0.258 CC(C)C(O[O])CO CONST: A: 2.36E-10 CLASS: GAS #G507 CL + CCC(O)(C)C = HCL + 0.100 CC(O)(C)CCO[O] + 0.701 CC(O[O])C(O)(C)C + 0.199 CCC(O)(C)CO[O] TEMP1: A: 2.48E-11 E/R: -328.0 CLASS: GAS #G508 CL + CC(O)C(C)C = HCL + 0.074 CC(O)C(C)CO[O] + 0.463 CC(O)C(O[O])(C)C + 0.463 CC(=O)C(C)C + 0.463 HO2 TEMP1: A: 6.29E-11 E/R: -192.0 CLASS: GAS #G509 CL + CCCCCCO = HCL + CCCCCC=O + HO2 CONST: A: 2.95E-10 CLASS: GAS #G510 CL + CC(O)(C)C(C)C = HCL + CC([O])(C)C(C)C TEMP1: A: 4.80E-11 E/R: -221.0 CLASS: GAS #G511 CL + C1CCC(O)CC1 = HCL + 0.739 C1CC(O)C(O[O])CC1 + 0.261 C1CCC(=O)CC1 + 0.261 HO2 CONST: A: 2.99E-10 CLASS: GAS #G512 CL + CC(=O)CC(O)(C)C = HCL + 0.693 CC(=O)C(O[O])C(O)(C)C + 0.270 CC(=O)CC(O)(C)CO[O] + 0.037 CC(O)(C)CC(=O)CO[O] CONST: A: 4.88E-11 CLASS: GAS #G513 CL + OCCO = HCL + OCC=O + HO2 CONST: A: 2.50E-10 CLASS: GAS #G514 CL + CC(O)CO = HCL + 0.613 CC(=O)CO + 0.613 HO2 + 0.387 CC(O)C=O + 0.387 HO2 CONST: A: 2.054E-10 CLASS: GAS #G515 CL + COO = HCL + 0.6 CO[O] + 0.4 C=O + 0.4 OH CONST: A: 5.9E-11 CLASS: GAS #G516 CL + CCOO = HCL + CC=O + OH CONST: A: 1.07E-10 CLASS: GAS #G517 CL + CO[O] = 0.5 C=O + 0.5 CLO + 0.5 HO2 + 0.5 HCL + 0.5 O=CO CONST: A: 1.60E-10 CLASS: GAS #G518 CL + O=CO = HO2 + HCL CONST: A: 1.9E-13 CLASS: GAS #G519 CL + CC(=O)O = CO[O] + HCL CONST: A: 2.65E-14 CLASS: GAS #G520 CLO + CO[O] = CLO2 + C=O + HO2 TEMP1: A: 1.80E-11 E/R: 600.0 CLASS: GAS #G521 CL + C=O = HCL + CO + HO2 TEMP1: A: 8.1E-11 E/R: 34.0 CLASS: GAS #G522 CLO + C=O = HOCL + CO + HO2 TEMP1: A: 1.0E-12 E/R: 2100.0 CLASS: GAS #G523 CL + CC=O = HCL + 0.99 CC(=O)O[O] + 0.01 O=CCO[O] CONST: A: 8.00E-11 CLASS: GAS #G524 CL + CCC=O = HCL + CCC(=O)O[O] CONST: A: 1.30E-10 CLASS: GAS #G525 CL + CCCC=O = HCL + 0.34 CC(O[O])CC=O + 0.66 CCCC(=O)O[O] CONST: A: 1.63E-10 CLASS: GAS #G526 CL + CC(C)C=O = HCL + 0.12 CC(C=O)CO[O] + 0.03 CC(O[O])(C)C=O + 0.85 CC(C)C(=O)O[O] CONST: A: 1.70E-10 CLASS: GAS #G527 CL + CCCCC=O = HCL + 0.55 CCC(O[O])CC=O + 0.45 CCCCC(=O)O[O] CONST: A: 2.56E-10 CLASS: GAS #G528 CL + CC(C)(C)C=O = HCL + CC(C)(C)C(=O)O[O] CONST: A: 1.20E-10 CLASS: GAS #G529 CL + CCCCCC=O = HCL + CCCCCC(=O)O[O] CONST: A: 2.88E-10 CLASS: GAS #G530 CL + CCCCCCC=O = HCL + CCCCCCC(=O)O[O] CONST: A: 3.00E-10 CLASS: GAS #G531 CL + CC(=O)C=O = HCL + CC(=O)C(=O)O[O] CONST: A: 4.8E-11 CLASS: GAS #G532 CL + O=CC=O = HCL + 2.0 CO + HO2 CONST: A: 3.8E-11 CLASS: GAS #G533 CL + O=CC=CC=O = O=CC=CC(=O)O[O] + HCL CONST: A: 1.35E-10 CLASS: GAS #G534 CL + O=CC=C = 0.22 HCL + 0.22 C=CC(=O)O[O] + 0.78 CLCC(O[O])C=O CONST: A: 2.20E-10 CLASS: GAS #G535 CLCC(O[O])C=O + HO2 = CLCC(OO)C=O TEMP1: A: 1.51E-13 E/R: -1300.0 CLASS: GAS #G536 CLCC(O[O])C=O + NO = CLCC=O + HO2 + CO + NO2 TEMP1: A: 2.70E-12 E/R: -360.0 CLASS: GAS #G537 CLCC(O[O])C=O + NO3 = CLCC=O + HO2 + CO + NO2 CONST: A: 2.30E-12 CLASS: GAS #G538 CLCC(O[O])C=O = CLCC=O + HO2 + CO CONST: A: 8.80E-13 FACTOR: $RO2 CLASS: GAS #G539 CLCC(OO)C=O + OH = CLCC(=O)C=O + OH CONST: A: 4.77E-11 CLASS: GAS #G540 CLCC(OO)C=O = CLCC=O + HO2 + CO + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G541 CL + CC(C=O)=C = 0.2 C=C(C)C(=O)O[O] + 0.8 CC(O[O])(CCL)C=O + 0.2 HCL CONST: A: 2.55E-10 CLASS: GAS #G542 CC(O[O])(CCL)C=O + HO2 = 0.8 CC(OO)(CCL)C=O + 0.2 CC(=O)CCL + 0.2 CO + 0.2 HO2 + 0.2 OH CONST: A: 1.00E-11 CLASS: GAS #G543 CC(O[O])(CCL)C=O + NO = CC(=O)CCL + CO + HO2 + NO2 CONST: A: 1.17E-11 CLASS: GAS #G544 CC(O[O])(CCL)C=O = CC(=O)CCL + CO + HO2 CONST: A: 2.40E-12 FACTOR: $RO2 CLASS: GAS #G545 CC(OO)(CCL)C=O = CC(=O)CCL + CO + HO2 + OH PHOTMCM: I: 7.914E-05 M: 7.640E-01 N: 3.640E-01 CLASS: GAS #G546 OH + CC(OO)(CCL)C=O = CC(=O)CCL + CO + OH CONST: A: 3.77E-11 CLASS: GAS #G547 CL + CC(=O)C=C = CC(=O)C(O[O])CCL CONST: A: 2.10E-10 CLASS: GAS #G548 CC(=O)C(O[O])CCL + HO2 = CC(=O)C(OO)CCL TEMP1: A: 1.82E-13 E/R: -1300.0 CLASS: GAS #G549 CC(=O)C(O[O])CCL + NO = CLCC=O + NO2 + CC(=O)O[O] TEMP1: A: 2.70E-12 E/R: -360.0 CLASS: GAS #G550 CC(=O)C(O[O])CCL + NO3 = CLCC=O + NO2 + CC(=O)O[O] CONST: A: 2.30E-12 CLASS: GAS #G551 CC(=O)C(O[O])CCL = CLCC=O + CC(=O)O[O] CONST: A: 8.80E-13 FACTOR: $RO2 CLASS: GAS #G552 CC(=O)C(OO)CCL = CLCC=O + CC(=O)O[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G553 OH + CC(=O)C(OO)CCL = CLCC=O + CC(=O)O[O] + OH CONST: A: 3.95E-11 CLASS: GAS #G554 CL + CC(=O)C = HCL + CC(=O)CO[O] TEMP1: A: 3.2E-11 E/R: 815.0 CLASS: GAS #G555 CL + CCC(=O)C = HCL + 0.22 CC(=O)CCO[O] + 0.75 CC(=O)C(O[O])C + 0.03 CCC(=O)CO[O] TEMP1: A: 3.05E-11 E/R: -80.0 CLASS: GAS #G556 CL + CCCC(=O)C = HCL + 0.82 CC(=O)CC(O[O])C + 0.18 CCC(O[O])C(=O)C CONST: A: 1.11E-10 CLASS: GAS #G557 CL + CCC(=O)CC = HCL + 0.79 CCC(=O)C(O[O])C + 0.21 CCC(=O)CCO[O] TEMP1: A: 5.66E-11 E/R: -87.0 CLASS: GAS #G558 CL + CC(=O)C(C)C = HCL + 0.523 CC(=O)C(O[O])(C)C + 0.477 CC(=O)C(C)CO[O] CONST: A: 6.8E-11 CLASS: GAS #G559 CL + CCCCC(=O)C = HCL + 0.715 CC(=O)CC(O[O])CC + 0.162 CC(=O)CCC(O[O])C + 0.123 CCCC(O[O])C(=O)C CONST: A: 1.88E-10 CLASS: GAS #G560 CL + CCCC(=O)CC = HCL + 0.638 CCC(=O)CC(O[O])C + 0.142 CCC(=O)C(O[O])CC + 0.110 CCCC(=O)C(O[O])C + 0.110 CCCC(=O)CCO[O] CONST: A: 1.43E-10 CLASS: GAS #G561 CL + CC(=O)CC(C)C = HCL + 0.91 CC(=O)CC(O[O])(C)C + 0.09 CC(=O)C(O[O])C(C)C CONST: A: 1.10E-10 CLASS: GAS #G562 CL + CC(=O)C(C)(C)C = HCL + CC(=O)C(C)(C)CO[O] CONST: A: 4.80E-11 CLASS: GAS #G563 CL + CC(=O)CCC(C)C = HCL + CC(=O)CC(O[O])C(C)C CONST: A: 1.65E-10 CLASS: GAS #G564 CL + CCC(C)C(=O)C = HCL + 0.671 CC(O[O])C(C)C(=O)C + 0.329 CCC(O[O])(C)C(=O)C CONST: A: 9.40E-11 CLASS: GAS #G565 CL + C1CCC(=O)CC1 = HCL + C1C(=O)CC(O[O])CC1 CONST: A: 1.30E-10 CLASS: GAS #G566 CL + CC(=O)CCL = HCL + CC(=O)C(CL)O[O] CONST: A: 3.5E-12 CLASS: GAS #G567 CL + CC(=O)C(=O)C = HCL + CC(=O)C(=O)CO[O] TEMP1: A: 2.55E-11 E/R: 1156.0 CLASS: GAS #G568 CL + CC(=O)CO = HCL + CC(=O)C=O + HO2 CONST: A: 5.7E-11 CLASS: GAS #G569 CL + OCC=O = HCL + OCC(=O)O[O] CONST: A: 7.0E-11 CLASS: GAS #G570 CL + C#C = 0.26 O=CCL + 0.21 CL + 0.53 HCL + 0.21 O=CC=O + 1.32 CO + 0.79 HO2 TROE: KO: 5.2E-30 N: 2.4 KINF: 2.20E-10 M: 0.7 CLASS: GAS #G571 CL + CON(=O)=O = C=O + NO2 + HCL CONST: A: 2.4E-13 CLASS: GAS #G572 CL + CCON(=O)=O = CC=O + NO2 + HCL CONST: A: 4.7E-12 CLASS: GAS #G573 CL + CCCON(=O)=O = CCC=O + NO2 + HCL CONST: A: 2.2E-11 CLASS: GAS #G574 CL + CC(ON(=O)=O)C = CC(=O)C + NO2 + HCL CONST: A: 3.8E-12 CLASS: GAS #G575 CL + CCCCON(=O)=O = CCCC=O + NO2 + HCL CONST: A: 8.5E-11 CLASS: GAS #G576 CL + c1ccccc1C = HCL + c1ccccc1CO[O] CONST: A: 6.20E-11 CLASS: GAS #G577 CL + Cc1ccccc1C = HCL + Cc1ccccc1CO[O] CONST: A: 1.40E-10 CLASS: GAS #G578 CL + c1c(C)cccc1C = Cc1cccc(c1)CO[O] + HCL CONST: A: 1.35E-10 CLASS: GAS #G579 CL + c1cc(C)ccc1C = Cc1ccc(CO[O])cc1 + HCL CONST: A: 1.44E-10 CLASS: GAS #G580 CL + c1ccccc1C=O = HCL + c1ccccc1C(=O)O[O] CONST: A: 1.00E-10 CLASS: GAS #G581 CL + Cc1ccccc1C=O = HCL + Cc1ccccc1C(=O)O[O] CONST: A: 1.90E-10 CLASS: GAS #G582 CL + Cc1cccc(c1)C=O = HCL + Cc1cccc(c1)C(=O)O[O] CONST: A: 1.70E-10 CLASS: GAS #G583 CL + Cc1ccc(C=O)cc1 = HCL + Cc1ccc(C(=O)O[O])cc1 CONST: A: 1.40E-10 CLASS: GAS #G584 CL + c1c(C)cc(C=O)cc1C = HCL + c1c(C)cc(C(=O)O[O])cc1C CONST: A: 9.60E-11 CLASS: GAS #G585 CL + c1ccccc1CC = c1ccccc1CCO[O] + HCL CONST: A: 9.10E-11 CLASS: GAS #G586 CL + c1ccccc1CCC = c1ccccc1C(O[O])CC + HCL CONST: A: 7.50E-11 CLASS: GAS #G587 CL + c1ccccc1C(C)C = c1ccccc1C(O[O])(C)C + HCL CONST: A: 8.20E-11 CLASS: GAS #G588 CL + Cc1cccc(C)c1C = Cc1cccc(CO[O])c1C + HCL CONST: A: 3.60E-10 CLASS: GAS #G589 CL + Cc1ccc(C)cc1C = Cc1ccc(CO[O])cc1C + HCL CONST: A: 3.60E-10 CLASS: GAS #G590 #Wang et al., 2005 CL + c1c(C)cc(C)cc1C = c1c(C)cc(CO[O])cc1C + HCL CONST: A: 2.42E-10 CLASS: GAS #G591 CL + Cc1ccccc1CC = Cc1ccccc1C(O[O])C + HCL CONST: A: 1.10E-10 CLASS: GAS #G592 CL + c1c(C)cccc1CC = Cc1ccccc1C(O[O])C + HCL CONST: A: 1.40E-10 CLASS: GAS #G593 CL + c1cc(C)ccc1CC = Cc1ccccc1C(O[O])C + HCL CONST: A: 2.20E-10 CLASS: GAS #G594 CL + c1ccccc1C=C = c1ccccc1C(CL)CO[O] CONST: A: 3.60E-10 CLASS: GAS #G595 c1ccccc1C(CL)CO[O] + NO = c1ccccc1C(CL)C[O] + NO2 TEMP1: A: 2.70E-12 E/R: -360.0 CLASS: GAS #G596 c1ccccc1C(CL)CO[O] = c1ccccc1C(CL)C[O] CONST: A: 2.50E-13 FACTOR: $RO2 CLASS: GAS #G597 c1ccccc1C(CL)C[O] = CLO + C=O + c1ccccc1C=O CONST: A: 1.00E+06 CLASS: GAS #G598 CL + c1cc(O)c(N(=O)=O)cc1 = 0.4 HCL + 0.4 c1cc(N(=O)=O)c([O])cc1 + 0.6 c1cc(O)c(CL)cc1 + 0.6 NO2 CONST: A: 6.80E-12 CLASS: GAS #G599 CL + c1ccc(N(=O)=O)c(O)c1C = c1ccc(N(=O)=O)c([O])c1C + HCL CONST: A: 2.68E-11 CLASS: GAS #G600 CL + c1cccc(O)c1C = HCL + c1cccc([O])c1C CONST: A: 1.10E-10 CLASS: GAS #G601 CL + c1ccc(O)cc1 = HCL + c1ccc([O])cc1 CONST: A: 1.93E-10 CLASS: GAS #G602 CL + c1cc(O)c(O)cc1 = HCL + c1cc(O)c([O])cc1 CONST: A: 6.40E-10 CLASS: GAS #G603 CL + COC = HCL + COCO[O] CONST: A: 1.80E-10 CLASS: GAS #G604 CL + COCOO = HCL + COC=O + OH CONST: A: 6.10E-11 CLASS: GAS #G605 CL + COC=O = HCL + 0.55 C[O] + 0.45 O=COCO[O] TEMP1: A: 1.70E-11 E/R: 810.0 CLASS: GAS #G606 CL + CCOC=O = HCL + 0.096 CCO[O] + 0.904 CC(O[O])OC=O TEMP1: A: 5.50E-11 E/R: 556.0 CLASS: GAS #G607 CL + C=C = CLCCO[O] TROEF: KO: 1.85E-29 N: 3.3 KINF: 6.00E-10 M: 0.00 F: 0.4 CLASS: GAS #G608 CL + CC=C = 0.4 CC(O[O])CCL + 0.5 CC(CL)CO[O] + 0.1 C=CCO[O] + 0.1 HCL TEMP1: A: 1.43E-14 E/R: -2886.0 CLASS: GAS #G609 CC(O[O])CCL + NO = CC([O])CCL + NO2 TEMP1: A: 2.70E-12 E/R: -360.0 CLASS: GAS #G610 CC(CL)CO[O] + NO = CC(CL)C=O + NO2 + HO2 TEMP1: A: 2.70E-12 E/R: -360.0 CLASS: GAS #G611 C=CCO[O] + NO = O=CC=C + NO2 TEMP1: A: 2.70E-12 E/R: -360 CLASS: GAS #G612 CC(O[O])CCL = 0.2 CC(O)CCL + 0.2 CC(=O)CCL + 0.6 CC([O])CCL CONST: A: 4.0E-14 FACTOR: $RO2 CLASS: GAS #G613 CC(CL)C=O + OH = CC(CL)C(=O)O[O] TEMP1: A: 4.90E-12 E/R: -405.0 CLASS: GAS #G614 CC(CL)C=O + NO3 = CC(CL)C(=O)O[O] + HNO3 TEMP1: A: 3.24E-12 E/R: 1860.0 CLASS: GAS #G615 CC(CL)C=O = CC(CL)O[O] + HO2 + CO PHOTMCM: I: 2.879E-05 M: 1.067E+00 N: 3.580E-01 CLASS: GAS #G616 CC(CL)C(=O)O[O] + HO2 = 0.15 CC(CL)C(=O)O + 0.15 O3 + 0.41 CC(CL)C(=O)OO + 0.44 CC(CL)O[O] + 0.44 OH TEMP1: A: 5.20E-13 E/R: -980.0 CLASS: GAS #G617 CC(CL)C(=O)O[O] + NO = CC(CL)O[O] + NO2 TEMP1: A: 7.50E-12 E/R: -290.0 CLASS: GAS #G618 CC(CL)C(=O)O[O] + NO2 = CC(CL)C(=O)OON(=O)=O TROEMCM: K1: 2.70E-28 K2: -7.1 K3: 0.0 K4: 1.20E-11 K5: -0.9 K6: 0.0 K7: 3.00E-01 K8: 0.0 K9: 0.0 K10: -1.0 CLASS: GAS #G619 CC(CL)C(=O)OON(=O)=O = CC(CL)C(=O)O[O] + NO2 TROEMCM: K1: 4.90E-03 K2: 0.0 K3: -12100.0 K4: 5.40E+16 K5: 0.0 K6: -13830.0 K7: 3.00E-01 K8: 0.0 K9: 0.0 K10: -1.0 CLASS: GAS #G620 CC(CL)C(=O)O[O] + NO3 = CC(CL)O[O] + NO2 CONST: A: 4.00E-12 CLASS: GAS #G621 CC(CL)C(=O)O[O] = 0.30 CC(CL)C(=O)O + 0.70 CC(CL)O[O] CONST: A: 1.00E-11 FACTOR: $RO2 CLASS: GAS #G622 CC(CL)C(=O)OO + OH = CC(CL)C(=O)O[O] CONST: A: 4.42E-12 CLASS: GAS #G623 CC(CL)C(=O)O + OH = CC(CL)O[O] CONST: A: 1.20E-12 CLASS: GAS #G624 CC(O)CCL + OH = CC(=O)CCL + HO2 TEMP1: A: 2.60E-12 E/R: -200.0 CLASS: GAS #G625 CC([O])CCL = CC(=O)CCL + HO2 TEMP1: A: 1.50E-14 E/R: 230.0 FACTOR: $O2 CLASS: GAS #G626 CC(=O)C(O)CL + OH = CC(=O)C(=O)CL + HO2 CONST: A: 3.0E-12 CLASS: GAS #G627 CC(CL)(CL)CL + CL = CLC(CL)(CL)CO[O] + HCL TEMP1: A: 2.8E-12 E/R: 1790.0 CLASS: GAS #G628 CLC(CL)CL + CL = [O]OC(CL)(CL)CL + HCL TEMP1: A: 2.4E-12 E/R: 920.0 CLASS: GAS #G629 [O]OC(CL)(CL)CL + NO2 = CLC(CL)(CL)OON(=O)=O TROEF: KO: 9.2E-29 N: 6.0 KINF: 1.5E-12 M: 0.7 F: 0.32 CLASS: GAS #G630 CLC(CL)(CL)OON(=O)=O = [O]OC(CL)(CL)CL + NO2 TROEXP: KO: 4.3E-3 E1/R: 10235.0 KINF: 4.8E16 E2/R: 11820.0 F: 0.32 CLASS: GAS #G631 CLCCL + CL = [O]OC(CL)CL + HCL TEMP1: A: 5.9E-12 E/R: 850.0 CLASS: GAS #G632 O=C(CL)CL + OH = O=[C]CL + HOCL CONST: A: 5.0E-15 CLASS: GAS #G633 CCL + CL = CLCO[O] + HCL TEMP1: A: 2.3E-11 E/R: 1150.0 CLASS: GAS #G634 O=CCL + CL = O=[C]CL + HCL TEMP1: A: 8.1E-12 E/R: 710.0 CLASS: GAS #G635 O=[C]CL = CL + CO SPEC4: C1: 0.0 C2: 0.0 C3: 4.1E-10 C4: -2960 CLASS: GAS #G636 CL + CO = O=[C]CL SPEC2: A: 1.3E-33 B: -3.8 CLASS: GAS #G637 BR + O3 = BRO TEMP1: A: 1.7E-11 E/R: 800.0 CLASS: GAS #G638 BR + HO2 = HBR TEMP1: A: 7.7E-12 E/R: 450.0 CLASS: GAS #G639 BR + H2O2 = HBR + HO2 TEMP1: A: 1.0E-11 E/R: 3000.0 CLASS: GAS #G640 BR2 + OH = HOBR + BR TEMP1: A: 2.0E-11 E/R: -240.0 CLASS: GAS #G641 BRO + O3 = 0.9 BR + 0.1 OBRO TEMP1: A: 1.0E-12 E/R: 3200.0 CLASS: GAS #G642 BRO + OH = BR + HO2 TEMP1: A: 1.8E-11 E/R: -250.0 CLASS: GAS #G643 BRO + HO2 = HOBR TEMP1: A: 4.5E-12 E/R: -500.0 CLASS: GAS #G644 BRO + BRO = 1.7 BR + 0.15 BR2 TEMP1: A: 1.6E-12 E/R: -210.0 CLASS: GAS #G645 HBR + OH = BR TEMP1: A: 6.7E-12 E/R: -155.0 CLASS: GAS #G646 BR + NO2 = BRNO2 TROEF: KO: 4.2E-31 N: 2.4 KINF: 2.7E-11 M: 0.0 F: 0.55 CLASS: GAS #G647 BR + NO3 = BRO + NO2 CONST: A: 1.6E-11 CLASS: GAS #G648 BRO + NO = BR + NO2 TEMP1: A: 8.7E-12 E/R: -260.0 CLASS: GAS #G649 BRO + NO2 = BRNO3 TROEF: KO: 4.7E-31 N: 3.1 KINF: 1.8E-11 M: 0.0 F: 0.4 CLASS: GAS #G650 BRNO3 = BRO + NO2 TEMP1: A: 2.79E13 E/R: 12360 CLASS: GAS #G651 BR + BRNO3 = BR2 + NO3 CONST: A: 4.9E-11 CLASS: GAS #G652 HBR + NO3 = BR + HNO3 CONST: A: 1.0E-16 CLASS: GAS #G653 BR + CL2O2 = BRCL + CLO2 TEMP1: A: 5.9E-12 E/R: 170.0 CLASS: GAS #G654 BR + OCLO = BRO + CLO TEMP1: A: 2.7E-11 E/R: 1300.0 CLASS: GAS #G655 BRO + CLO = BR + OCLO TEMP1: A: 1.6E-12 E/R: -430.0 CLASS: GAS #G656 BRO + CLO = BR + CLO2 TEMP1: A: 2.9E-12 E/R: -220.0 CLASS: GAS #G657 BRO + CLO = BRCL TEMP1: A: 5.8E-13 E/R: -170.0 CLASS: GAS #G658 BR2 + CL = BRCL + BR TEMP1: A: 2.3E-10 E/R: -135.0 CLASS: GAS #G659 BRCL + BR = BR2 + CL CONST: A: 3.32E-15 CLASS: GAS #G660 BR + CL2 = BRCL + CL CONST: A: 1.1E-15 CLASS: GAS #G661 BRCL + CL = BR + CL2 CONST: A: 1.45E-11 CLASS: GAS #G662 BR + C = HBR + CO[O] TEMP1: A: 5.00E-10 E/R: 8889.0 CLASS: GAS #G663 BR + CC = HBR + CCO[O] TEMP1: A: 2.35E-10 E/R: 6411.0 CLASS: GAS #G664 BR + CCC = HBR + 0.44 CCCO[O] + 0.56 CC(O[O])C TEMP1: A: 8.78E-11 E/R: 4330.0 CLASS: GAS #G665 BR + CCCC = HBR + 0.29 CCCCO[O] + 0.71 CCC(O[O])C TEMP1: A: 2.86E-10 E/R: 4535.0 CLASS: GAS #G666 BR + CC(C)C = HBR + 0.564 CC(C)CO[O] + 0.436 CC(O[O])(C)C TEMP1: A: 1.61E-10 E/R: 3464.0 CLASS: GAS #G667 BR + CC(C)(C)C = CC(C)(C)CO[O] + HBR TEMP1: A: 1.14E-09 E/R: 6929.0 CLASS: GAS #G668 BR + COO = HBR + CO[O] TEMP1: A: 2.63E-12 E/R: 16ƒ10.0 CLASS: GAS #G669 BRO + CO[O] = 0.25 BR + 0.25 C=O + 0.25 HO2 + 0.75 HOBR + 0.75 O=CO TEMP1: A: 4.1E-13 E/R: -800.0 CLASS: GAS #G670 BR + C#C = 0.17 O=CBR + 0.09 BR + 0.74 HBR + 0.09 O=CC=O + 1.65 CO + 0.91 HO2 TEMP1: A: 6.35E-15 E/R: -440.0 CLASS: GAS #G671 BR + COC = HBR + COCO[O] CONST: A: 1.71E-15 CLASS: GAS #G672 BR + C=O = HBR + CO + HO2 TEMP1: A: 1.7E-11 E/R: 800.0 CLASS: GAS #G673 BRO + C=O = HOBR + CO + HO2 CONST: A: 1.5E-14 CLASS: GAS #G674 BR + CC=O = HBR + CC(=O)O[O] TEMP1: A: 1.8E-11 E/R: 460.0 CLASS: GAS #G675 BR + CCC=O = HBR + CCC(=O)O[O] TEMP1: A: 5.75E-11 E/R: 610.0 CLASS: GAS #G676 BR + CCCC=O = HBR + CCCC(=O)O[O] TEMP1: A: 5.75E-11 E/R: 540.0 CLASS: GAS #G677 BR + CC(C)C=O = HBR + CC(C)C(=O)O[O] CONST: A: 6.30E-12 CLASS: GAS #G678 BR + CC(C)(C)C=O = HBR + CC(C)(C)C(=O)O[O] CONST: A: 8.50E-12 CLASS: GAS #G679 BR + CC(=O)C = HBR + CC(=O)CO[O] CONST: A: 4.53E-20 CLASS: GAS #G680 BR + O=CC=O = HBR + O=CC(=O)O[O] CONST: A: 1.40E-14 CLASS: GAS #G681 BR + O=CC=C = 0.2 HBR + 0.2 C=CC(=O)O[O] + 0.8 BRCC(O[O])C=O CONST: A: 3.21E-12 CLASS: GAS #G682 BRCC(O[O])C=O + NO = BRCC=O + HO2 + CO + NO2 TEMP1: A: 2.70E-12 E/R: -360.0 CLASS: GAS #G683 BRCC(O[O])C=O + NO3 = BRCC=O + HO2 + CO + NO2 CONST: A: 2.30E-12 CLASS: GAS #G684 BRCC(O[O])C=O = BRCC=O + HO2 + CO CONST: A: 8.80E-13 FACTOR: $RO2 CLASS: GAS #G685 BR + c1ccccc1C = HBR + c1ccccc1CO[O] TEMP1: A: 3.70E-12 E/R: 1630.0 CLASS: GAS #G686 BR + Cc1ccccc1C = HBR + Cc1ccccc1CO[O] CONST: A: 8.90E-14 CLASS: GAS #G687 BR + c1c(C)cccc1C = Cc1cccc(c1)CO[O] + HBR CONST: A: 6.60E-14 CLASS: GAS #G688 BR + c1cc(C)ccc1C = Cc1ccc(CO[O])cc1 + HBR CONST: A: 9.00E-14 CLASS: GAS #G689 BR + c1c(C)cc(C)cc1C = c1c(C)cc(CO[O])cc1C + HBR CONST: A: 4.80E-13 CLASS: GAS #G690 BR + OC = HBR + C=O + HO2 CONST: A: 5.00E-16 CLASS: GAS #G691 BR + CCO = 0.95 CC=O + 0.95 HO2 + 0.05 OCCO[O] + HBR CONST: A: 9.80E-15 CLASS: GAS #G692 BR + CCCO = 0.69 CCC=O + 0.69 HO2 + 0.06 OCCCO[O] + 0.25 CC(O[O])CO + HBR CONST: A: 8.3E-15 CLASS: GAS #G693 BR + CC(O)C = CC(=O)C + HBR CONST: A: 4.60E-14 CLASS: GAS #G694 BR + CC(O)(C)C = HBR + 0.888 CC(O)(C)CO[O] + 0.112 CC([O])(C)C CONST: A: 5.00E-16 CLASS: GAS #G695 BR + C=C = BRCCO[O] TEMP1: A: 2.25E-13 E/R: -277.0 CLASS: GAS #G696 BRCCO[O] = 0.2 OCCBR + 0.2 BRCC=O + 0.6 BRCC[O] CONST: A: 2.0E-12 FACTOR: $RO2 CLASS: GAS #G697 BRCCO[O] + NO = BRCC[O] + NO2 CONST: A: 9.7E-12 CLASS: GAS #G698 OCCBR + OH = BRCC=O + HO2 CONST: A: 4.6E-12 CLASS: GAS #G699 BRCC[O] = BRCC=O + HO2 TEMP1: A: 6.00E-14 E/R: 550.0 FACTOR: $O2 CLASS: GAS #G700 BR + CC=C = CC(O[O])CBR CONST: A: 3.6E-12 CLASS: GAS #G701 CC(O[O])CBR = 0.2 CC(O)CBR + 0.2 CC(=O)CBR + 0.6 CC([O])CBR CONST: A: 4.0E-14 FACTOR: $RO2 CLASS: GAS #G702 CC(O[O])CBR + NO = CC([O])CBR + NO2 TEMP1: A: 2.70E-12 E/R: -360.0 CLASS: GAS #G703 CC(O)CBR + OH = CC(=O)CBR + HO2 TEMP1: A: 2.60E-12 E/R: -200.0 CLASS: GAS #G704 CC([O])CBR = CC(=O)CBR + HO2 TEMP1: A: 1.50E-14 E/R: 230.0 FACTOR: $O2 CLASS: GAS #G705 CC(=O)CBR + OH = CC(=O)C(BR)O[O] TEMP1: A: 8.8E-12 E/R: 1320.0 CLASS: GAS #G706 CC(=O)C(BR)O[O] = 0.2 CC(=O)C(O)BR + 0.2 CC(=O)C(=O)BR + 0.6 CC(=O)O[O] + 0.6 O=CBR CONST: A: 2.0E-12 FACTOR: $RO2 CLASS: GAS #G707 CC(=O)C(BR)O[O] + NO = CC(=O)O[O] + O=CBR + NO2 CONST: A: 8.0E-12 CLASS: GAS #G708 CC(=O)C(O)BR + OH = CC(=O)C(=O)BR + HO2 CONST: A: 3.0E-12 CLASS: GAS #G709 BRC(BR)BR + OH = BRC(BR)(BR)O[O] TEMP1: A: 1.35E-12 E/R: 600.0 CLASS: GAS #G710 BRC(BR)BR + CL = BRC(BR)(BR)O[O] + HCL TEMP1: A: 4.85E-12 E/R: 850.0 CLASS: GAS #G711 BRC(BR)(BR)O[O] + HO2 = O=C(BR)BR + HOBR TEMP1: A: 4.7E-13 E/R: -710.0 CLASS: GAS #G712 BRC(BR)(BR)O[O] = 0.3 OC(BR)(BR)BR + 0.7 BRC(BR)(BR)[O] CONST: A: 6.6E-12 FACTOR: $RO2 CLASS: GAS #G713 BRC(BR)(BR)O[O] + NO = O=C(BR)BR + BR + NO2 TEMP1: A: 7.3E-12 E/R: -270.0 CLASS: GAS #G714 BRC(BR)(BR)O[O] + NO2 = BRC(BR)(BR)OON(=O)=O TROEF: KO: 9.2E-29 N: 6.0 KINF: 1.5E-12 M: 0.7 F: 0.32 CLASS: GAS #G715 BRC(BR)(BR)OON(=O)=O = BRC(BR)(BR)O[O] + NO2 TROEXP: KO: 4.3E-3 E1/R: 10235.0 KINF: 4.8E16 E2/R: 11820.0 F: 0.32 CLASS: GAS #G716 OC(BR)(BR)BR + OH = BRC(BR)(BR)[O] CONST: A: 3.6E-14 CLASS: GAS #G717 BRC(BR)(BR)[O] = O=C(BR)BR + BR TEMP1: A: 4.0E13 E/R: 4600.0 CLASS: GAS #G718 BRCBR + OH = BRC(BR)O[O] TEMP1: A: 1.5E-12 E/R: 775.0 CLASS: GAS #G719 BRCBR + CL = BRC(BR)O[O] + HCL TEMP1: A: 6.3E-12 E/R: 800.0 CLASS: GAS #G720 BRC(BR)O[O] + HO2 = 0.3 O=CBR + 0.3 HOBR + 0.7 O=C(BR)BR TEMP1: A: 5.6E-13 E/R: -700.0 CLASS: GAS #G721 BRC(BR)O[O] = 0.2 O=C(BR)BR + 0.2 OC(BR)BR + 0.6 O=CBR + 0.6 BR + 0.6 HO2 CONST: A: 2.0E-12 FACTOR: $RO2 CLASS: GAS #G722 BRC(BR)O[O] + NO = O=CBR + BR + NO2 CONST: A: 1.7E-11 CLASS: GAS #G723 OC(BR)BR + OH = O=C(BR)BR + HO2 CONST: A: 9.34E-13 CLASS: GAS #G724 O=C(BR)BR + OH = O=[C]BR + HOBR CONST: A: 5.0E-15 CLASS: GAS #G725 CBR + OH = BRCO[O] TEMP1: A: 7.40E-13 E/R: 875.0 CLASS: GAS #G726 CBR + CL = BRCO[O] + HCL TEMP1: A: 1.4E-11 E/R: 1030.0 CLASS: GAS #G727 BRCO[O] + HO2 = BRCOO TEMP1: A: 4.28E-13 E/R: -820.0 CLASS: GAS #G728 BRCO[O] + NO = BRC[O] + NO2 TEMP1: A: 4.05E-12 E/R: -360.0 CLASS: GAS #G729 BRCO[O] + NO3 = BRC[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G730 BRCO[O] = 0.60 BRC[O] + 0.20 OCBR + 0.20 O=CBR CONST: A: 2.00E-12 FACTOR: $RO2 CLASS: GAS #G731 BRCOO + OH = BRCO[O] TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G732 BRCOO + OH = O=CBR + OH CONST: A: 5.79E-12 CLASS: GAS #G733 BRCOO = BRC[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G734 BRC[O] = O=CBR + HO2 TEMP1: A: 2.50E-14 E/R: 300.0 FACTOR: $O2 CLASS: GAS #G735 OCBR + OH = O=CBR + HO2 CONST: A: 1.06E-12 CLASS: GAS #G736 O=CBR + NO3 = CO + BR + HNO3 TEMP1: A: 1.40E-12 E/R: 1860.0 CLASS: GAS #G737 O=CBR + OH = CO + BR CONST: A: 1.16E-12 CLASS: GAS #G738 O=CBR + CL = O=[C]BR + HCL TEMP1: A: 8.1E-12 E/R: 710.0 CLASS: GAS #G739 O=CBR = HO2 + CO + BR PHOTMCM: I: 4.642E-05 M: 7.620E-01 N: 3.530E-01 CLASS: GAS #G740 O=[C]BR = BR + CO SPEC4: C1: 0.0 C2: 0.0 C3: 4.1E-10 C4: -2960 CLASS: GAS #G741 BR + CO = O=[C]BR SPEC2: A: 1.3E-33 B: -3.8 CLASS: GAS #G742 BRCCBR + OH = BRCC(BR)O[O] TEMP2: KO: 1.03E-17 E/R: 422.0 CLASS: GAS #G743 BRCC(BR)O[O] + HO2 = BRCC(BR)OO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G744 BRCC(BR)O[O] + NO = BRCC(BR)[O] + NO2 TEMP1: A: 4.05E-12 E/R: -360.0 CLASS: GAS #G745 BRCC(BR)O[O] + NO3 = BRCC(BR)[O] + NO2 CONST: A: 2.30E-12 CLASS: GAS #G746 BRCC(BR)O[O] = 0.2 BRCC=O + 0.6 BRCC(BR)[O] + 0.2 BRCC(O)BR CONST: A: 8.80E-13 FACTOR: $RO2 CLASS: GAS #G747 BRCC(BR)OO + OH = BRCC(BR)O[O] CONST: A: 9.52E-12 CLASS: GAS #G748 BRCC(BR)OO = BRCC(BR)[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G749 BRCC(BR)[O] = BRCC=O + BR CONST: A: 1.00E+06 CLASS: GAS #G750 BRCC=O + NO3 = BRCC(=O)O[O] + HNO3 TEMP1: A: 1.40E-12 E/R: 1860.0 CLASS: GAS #G751 BRCC=O + OH = BRCC(=O)O[O] CONST: A: 2.05E-12 CLASS: GAS #G752 BRCC=O = BRCO[O] + HO2 + CO PHOTMCM: I: 4.642E-05 M: 7.620E-01 N: 3.530E-01 CLASS: GAS #G753 BRCC(O)BR + OH = BRCC(BR)[O] CONST: A: 2.80E-12 CLASS: GAS #G754 BRCC(=O)O[O] + HO2 = 0.15 BRCC(=O)O + 0.15 O3 + 0.41 BRCC(=O)OO + 0.44 BRCO[O] + 0.44 OH TEMP1: A: 5.20E-13 E/R: -980.0 CLASS: GAS #G755 BRCC(=O)O[O] + NO = BRCO[O] + NO2 TEMP1: A: 7.50E-12 E/R: -290.0 CLASS: GAS #G756 BRCC(=O)O[O] + NO2 = BRCC(=O)OON(=O)=O TROEMCM: K1: 2.70E-28 K2: -7.1 K3: 0.0 K4: 1.20E-11 K5: -0.9 K6: 0.0 K7: 3.00E-01 K8: 0.0 K9: 0.0 K10: -1.0 CLASS: GAS #G757 BRCC(=O)O[O] + NO3 = BRCO[O] + NO2 CONST: A: 4.00E-12 CLASS: GAS #G758 BRCC(=O)O[O] = 0.30 BRCC(=O)O + 0.70 BRCO[O] CONST: A: 1.00E-11 FACTOR: $RO2 CLASS: GAS #G759 BRCC(=O)O + OH = BRCO[O] TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G760 BRCC(=O)OO + OH = BRCC(=O)O[O] CONST: A: 3.79E-12 CLASS: GAS #G761 BRCC(=O)OO = BRCO[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G762 BRCC(=O)OON(=O)=O + OH = O=CBR + CO + NO2 CONST: A: 5.56E-13 CLASS: GAS #G763 BRCC(=O)OON(=O)=O = BRCC(=O)O[O] + NO2 TROEMCM: K1: 4.90E-03 K2: 0.0 K3: -12100.0 K4: 5.40E+16 K5: 0.0 K6: -13830.0 K7: 3.00E-01 K8: 0.0 K9: 0.0 K10: -1.0 CLASS: GAS #G764 I + I = I2 CONST: A: 2.99E-11 CLASS: GAS #G765 I + O3 = IO TEMP1: A: 2.1E-11 E/R: 830.0 CLASS: GAS #G766 I2 + OH = I + HOI CONST: A: 2.1E-10 CLASS: GAS #G767 I + HO2 = HI TEMP1: A: 1.5E-11 E/R: 1090.0 CLASS: GAS #G768 IO + HO2 = HOI TEMP1: A: 1.4E-11 E/R: -540.0 CLASS: GAS #G769 IO + IO = 0.38 OIO + 0.46 I2O2 + 0.6 I + 0.05 I2 TEMP1: A: 5.4E-11 E/R: -180.0 CLASS: GAS #G770 OIO + OH = HIO3 TEMP1: A: 2.2E-10 E/R: -243.0 CLASS: GAS #G771 IO + O3 = 0.83 I + 0.17 OIO CONST: A: 1.2E-15 CLASS: GAS #G772 IO + OIO = I2O3 CONST: A: 1.00E-10 CLASS: GAS #G773 I2O3 = IO + OIO CONST: A: 2.78E-11 CLASS: GAS #G774 OIO + OIO = I2O4 CONST: A: 1.00E-10 CLASS: GAS #G775 I2O4 = OIO + OIO CONST: A: 1.67E+00 CLASS: GAS #G776 I2 + O3 = IO + I TEMP1: A: 4.02E-15 E/R: 2050.0 CLASS: GAS #G777 I2O2 = 0.995 OIO + 0.995 I + 0.01 IO CONST: A: 1.00e+01 CLASS: GAS #G778 HI + OH = I TEMP1: A: 1.6E-11 E/R: -440.0 CLASS: GAS #G779 I + NO = INO TROE: KO: 1.8E-32 N: 1.0 KINF: 1.7E-11 M: 0.00 CLASS: GAS #G780 I + NO2 = INO2 TROEF: KO: 3.0E-31 N: 1.0 KINF: 6.6E-11 M: 0.00 F: 0.63 CLASS: GAS #G781 I + NO3 = IO + NO2 CONST: A: 4.5E-10 CLASS: GAS #G782 I2 + NO3 = I + INO3 CONST: A: 1.5E-12 CLASS: GAS #G783 IO + NO = I + NO2 TEMP1: A: 7.15E-12 E/R: -300.0 CLASS: GAS #G784 IO + NO2 = INO3 TROEF: KO: 7.7E-31 N: 5.0 KINF: 1.6E-11 M: 0.00 F: 0.4 CLASS: GAS #G785 OIO + NO = IO + NO2 TEMP1: A: 1.1E-12 E/R: -542.0 CLASS: GAS #G786 HI + NO3 = I + HNO3 TEMP1: A: 1.3E-12 E/R: 1830.0 CLASS: GAS #G787 INO + INO = I2 + 2.0 NO TEMP1: A: 8.4E-11 E/R: 2620.0 CLASS: GAS #G788 INO2 + INO2 = I2 + 2.0 NO2 TEMP1: A: 4.7E-13 E/R: 1670.0 CLASS: GAS #G789 INO2 = I + NO2 SPEC2: A: 9.6E-20 B: 0.0 CLASS: GAS #G790 INO3 = IO + NO2 SPEC4: C1: 0.0 C2: 0.0 C3: 4.4E-5 C4: -12060.0 CLASS: GAS #G791 #Dillon et al. 2006 IO + CO[O] = I + HO2 + C=O CONST: A: 2.0E-12 CLASS: GAS #G792 I2 + CL = I + ICL CONST: A: 2.1E-10 CLASS: GAS #G793 I2 + BR = I + IBR CONST: A: 1.2E-10 CLASS: GAS #G794 I + BRO = IO + BR CONST: A: 1.2E-11 CLASS: GAS #G795 IO + CLO = 0.8 I + 0.55 OCLO + 0.25 CL + 0.2 ICL TEMP1: A: 4.7E-12 E/R: -280.0 CLASS: GAS #G796 IO + CL = CLO + I CONST: A: 4.4E-11 CLASS: GAS #G797 IO + BRO = 0.8 OIO + BR + 0.2 I TEMP1: A: 1.5E-11 E/R: -510.0 CLASS: GAS #G798 IO + BR = BRO + I CONST: A: 2.5E-11 CLASS: GAS #G799 OIO + BR = BRO + IO CONST: A: 3.0E-12 CLASS: GAS #G800 CC(I)C + OH = CC(O[O])(I)C TEMP1: A: 7.64E-12 E/R: 530.0 CLASS: GAS #G801 CC(O[O])(I)C = CC([O])(I)C CONST: A: 2.4E-14 FACTOR: $RO2 CLASS: GAS #G802 CC(O[O])(I)C + NO = CC([O])(I)C + NO2 TEMP1: A: 2.7E-12 E/R: -360.0 CLASS: GAS #G803 CC([O])(I)C = CC(=O)C + I CONST: A: 10.0 CLASS: GAS #G804 ICC + OH = 0.13 CC(O[O])I + 0.87 ICCO[O] TEMP1: A: 5.65E-11 E/R: 841.0 CLASS: GAS #G805 ICCO[O] = 0.2 ICCO + 0.2 ICC=O + 0.6 ICC[O] CONST: A: 2.0E-12 FACTOR: $RO2 CLASS: GAS #G806 ICCO[O] + NO = ICC[O] + NO2 CONST: A: 9.7E-12 CLASS: GAS #G807 ICCO + OH = ICC=O + HO2 CONST: A: 4.6E-12 CLASS: GAS #G808 ICC[O] = ICC=O + HO2 TEMP1: A: 6.00E-14 E/R: 550.0 FACTOR: $O2 CLASS: GAS #G809 ICC=O + OH = ICC(=O)O[O] CONST: A: 3.1E-12 CLASS: GAS #G810 ICC(=O)O[O] + HO2 = 0.29 ICC(=O)O + 0.29 O3 + 0.71 ICC(=O)OO TEMP1: A: 4.30E-13 E/R: -1040.0 CLASS: GAS #G811 ICC(=O)O[O] = 0.7 [O]OCI + 0.7 CO2 + 0.3 ICC(=O)O CONST: A: 1.0E-11 FACTOR: $RO2 CLASS: GAS #G812 ICC(=O)O[O] + NO = [O]OCI + CO2 + NO2 TEMP1: A: 8.10E-12 E/R: -270.0 CLASS: GAS #G813 ICC(=O)O[O] + NO2 = ICC(=O)OON(=O)=O TROEF: KO: 2.7E-28 N: 7.1 KINF: 1.2E-11 M: 0.9 F: 0.3 CLASS: GAS #G814 ICC(=O)OON(=O)=O = ICC(=O)O[O] + NO2 TROEXP: KO: 4.9E-3 E1/R: 12100.0 KINF: 5.4E16 E2/R: 13830.0 F: 0.3 CLASS: GAS #G815 ICC(=O)OON(=O)=O + OH = O=C(OON(=O)(=O))C(O[O])I CONST: A: 6.26E-13 CLASS: GAS #G816 O=C(OON(=O)(=O))C(O[O])I + NO = O=CI + CO + 2.0 NO2 TEMP1: A: 4.064E-12 E/R: -360.0 CLASS: GAS #G817 ICC(=O)OO + OH = ICC(=O)O[O] CONST: A: 4.29E-12 CLASS: GAS #G818 ICC(=O)O + OH = [O]OCI + CO2 TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G819 CC(O[O])I = 0.2 CC(O)I + 0.2 CC(=O)I + 0.6 CC=O + 0.6 I + 0.6 HO2 CONST: A: 8.8E-13 FACTOR: $RO2 CLASS: GAS #G820 CC(O[O])I + NO = CC=O + I + NO2 TEMP1: A: 5.59E-12 E/R: -360.0 CLASS: GAS #G821 CC(O)I + OH = CC(=O)I + HO2 CONST: A: 2.77E-12 CLASS: GAS #G822 CC(=O)I + OH = O=C(I)CO[O] CONST: A: 3.88E-14 CLASS: GAS #G823 O=C(I)CO[O] = I + CO + C=O + HO2 CONST: A: 2.0E-12 FACTOR: $RO2 CLASS: GAS #G824 O=C(I)CO[O] + NO = I + CO + C=O + NO2 TEMP1: A: 4.064E-12 E/R: -360.0 CLASS: GAS #G825 ICI + OH = IC(I)O[O] TEMP1: A: 4.20E-11 E/R: 670.0 CLASS: GAS #G826 ICI + NO3 = IC(I)O[O] + HNO3 CONST: A: 4.00e-13 CLASS: GAS #G827 ICI + CL = 0.55 IC(I)O[O] + 0.55 HCL + 0.45 [O]OCI + 0.45 ICL TEMP1: A: 4.70E-11 E/R: 241.0 CLASS: GAS #G828 IC(I)O[O] + HO2 = 0.3 O=CI + 0.3 HOI + 0.7 O=C(I)I TEMP1: A: 5.6E-13 E/R: -700.0 CLASS: GAS #G829 IC(I)O[O] = 0.2 O=C(I)I + 0.2 IC(I)O + 0.6 O=CI + 0.6 I + 0.6 HO2 CONST: A: 2.0E-12 FACTOR: $RO2 CLASS: GAS #G830 IC(I)O[O] + NO = O=CI + I + NO2 CONST: A: 1.7E-11 CLASS: GAS #G831 IC(I)O + OH = O=C(I)I + HO2 CONST: A: 9.34E-13 CLASS: GAS #G832 O=C(I)I + OH = O=[C]I + HOI CONST: A: 5.0E-15 CLASS: GAS #G833 CI + OH = [O]OCI TEMP1: A: 4.3E-12 E/R: 1120.0 CLASS: GAS #G834 CI + CL = [O]OCI + HCL TEMP1: A: 2.9E-11 E/R: 1000.0 CLASS: GAS #G835 CI + NO3 = [O]OCI + HNO3 CONST: A: 1.0E-17 CLASS: GAS #G836 [O]OCI + HO2 = 0.85 OOCI + 0.15 O=CI CONST: A: 6.7E-12 CLASS: GAS #G837 [O]OCI = 0.2 OCI + 0.2 O=CI + 0.6 [O]CI CONST: A: 2.0E-12 FACTOR: $RO2 CLASS: GAS #G838 [O]OCI + NO = [O]CI + NO2 CONST: A: 1.1E-11 CLASS: GAS #G839 OOCI + OH = [O]OCI TEMP1: A: 1.9E-12 E/R: -190.0 CLASS: GAS #G840 OOCI + OH = O=CI + OH CONST: A: 5.79E-12 CLASS: GAS #G841 OCI + OH = O=CI + HO2 CONST: A: 1.06E-12 CLASS: GAS #G842 [O]CI = O=CI + HO2 TEMP1: A: 6.0E-14 E/R: 550.0 FACTOR: $O2 CLASS: GAS #G843 O=CI + OH = I + CO CONST: A: 1.16E-12 CLASS: GAS #G844 O=CI + CL = O=[C]I + HCL TEMP1: A: 8.1E-12 E/R: 710.0 CLASS: GAS #G845 O=[C]I = I + CO SPEC4: C1: 0.0 C2: 0.0 C3: 4.1E-10 C4: -2960 CLASS: GAS #G846 I + CO = O=[C]I SPEC2: A: 1.3E-33 B: -3.8 ######################## HM3 Table S 6 ######################################## CLASS: HENRY #H1 TEMP3: A: 9.15e-2 B: 2490.0 CLASS: HENRY #H2 CL = aCL CONST: A: 0.2 CLASS: HENRY #H3 CLO = aCLO CONST: A: 5.5 CLASS: HENRY #H4 CLO2 = aCLO2 TEMP3: A: 1.0 B: -3300.0 CLASS: HENRY #H5 HCL = aHCL TEMP3: A: 1.1 B: 2020.0 CLASS: HENRY #H6 HOCL = aHOCL TEMP3: A: 660.0 B: 5862.0 CLASS: HENRY #H7 CLNO = aCLNO CONST: A: 5.0e-2 CLASS: HENRY #H8 CLNO2 = aCLNO2 TEMP3: A: 0.024 B: 0.0 CLASS: HENRY #H9 CLNO3 = aCLNO3 TEMP3: A: 2.1e5 B: 8700.0 CLASS: HENRY #H10 CLCC(=O)O[O] = aCLCC(=O)O[O] TEMP3: A: 6.69e2 B: 5893.0 CLASS: HENRY #H11 CLCC(=O)O = aCLCC(=O)O TEMP3: A: 1.11e5 B: 9700.0 CLASS: HENRY #H12 CC(=O)C(=O)CL = aCC(=O)C(=O)CL TEMP3: A: 1.4 B: 7541.0 CLASS: HENRY #H13 O=C(CL)CL = aO=C(CL)CL TEMP3: A: 5.98e-2 B: 3800.0 CLASS: HENRY #H14 O=CCL = aO=CCL TEMP3: A: 3.0e3 B: 7216.0 CLASS: HENRY #H15 CLCC=O = aCLCC=O CONST: A: 4.15e1 CLASS: HENRY #H16 CLC(CL)C=O = aCLC(CL)C=O CONST: A: 1.22e2 CLASS: HENRY #H17 CC(=O)CL = aCC(=O)CL CONST: A: 4.15e1 CLASS: HENRY #H18 CLCC(=O)CL = aCLCC(=O)CL CONST: A: 4.36e0 CLASS: HENRY #H19 OCCCL = aOCCCL CONST: A: 9.63e3 CLASS: HENRY #H20 CC(O)CCL = aCC(O)CCL CONST: A: 5.88e2 CLASS: HENRY #H21 CLC(CL)(CL)C=O = aCLC(CL)(CL)C=O TEMP3: A: 3.45e5 B: 3500.0 CLASS: HENRY #H22 CC(=O)CCL = aCC(=O)CCL TEMP3: A: 5.88e1 B: 5400.0 CLASS: HENRY #H23 CLC(CL)C(=O)O = aCLC(CL)C(=O)O TEMP3: A: 1.22e5 B: 8000.0 CLASS: HENRY #H24 c1cc(O)c(CL)cc1 = ac1cc(O)c(CL)cc1 TEMP3: A: 1.52e2 B: 0.0 CLASS: HENRY #H25 c1cc(O)ccc1CL = ac1cc(O)ccc1CL TEMP3: A: 1.42e2 B: 11000.0 CLASS: HENRY #H26 BR2 = aBR2 TEMP3: A: 7.60e-1 B: 4100.0 CLASS: HENRY #H27 BR = aBR CONST: A: 1.2 CLASS: HENRY #H28 BRO = aBRO CONST: A: 5.5 CLASS: HENRY #H29 HBR = aHBR TEMP3: A: 1.3 B: 10239.0 CLASS: HENRY #H30 HOBR = aHOBR TEMP3: A: 93.0 B: 5862.0 CLASS: HENRY #H31 BRNO2 = aBRNO2 TEMP3: A: 0.3 B: 0.0 CLASS: HENRY #H32 BRNO3 = aBRNO3 TEMP3: A: 2.1e5 B: 8700.0 CLASS: HENRY #H33 BRCL = aBRCL TEMP3: A: 0.94 B: -5600.0 LASS: HENRY #H34 BRCC(=O)O[O] = aBRCC(=O)O[O] TEMP3: A: 6.69e2 B: 5893.0 CLASS: HENRY #H35 BRCC(=O)O = aBRCC(=O)O TEMP3: A: 1.52e5 B: 9300.0 CLASS: HENRY #H36 CC(=O)C(=O)BR = aCC(=O)C(=O)BR TEMP3: A: 1.4 B: 7541.0 CLASS: HENRY #H37a O=C(BR)BR = aO=C(BR)BR CONST: A: 2.13e1 CLASS: HENRY #H38a O=CBR = aO=CBR CONST: A: 7.40e1 CLASS: HENRY #H39 OCBR = aOCBR CONST: A: 2.03e3 CLASS: HENRY #H40 OC(BR)BR = aOC(BR)BR CONST: A: 1.72e4 CLASS: HENRY #H41 OC(BR)(BR)BR = aOC(BR)(BR)BR CONST: A: 1.52e5 CLASS: HENRY #H42 BRCOO = aBRCOO CONST: A: 2.53e3 CLASS: HENRY #H43 CC(=O)CBR = aCC(=O)CBR CONST: A: 1.72e2 CLASS: HENRY #H44 I2 = aI2 TEMP3: A: 3.0 B: 4431.0 CLASS: HENRY #H45 I = aI CONST: A: 8.0e-2 CLASS: HENRY #H46 IO = aIO CONST: A: 5.5 CLASS: HENRY #H47 OIO = aOIO CONST: A: 1.0e+4 CLASS: HENRY #H48 I2O2 = aI2O2 CONST: A: 1.0e+4 CLASS: HENRY #H49 I2O3 = aI2O3 CONST: A: 1.0e+4 CLASS: HENRY #H50 I2O4 = aI2O4 CONST: A: 1.0e+4 CLASS: HENRY #H51 HI = aHI TEMP3: A: 2.5 B: 9800.0 CLASS: HENRY #H52 HOI = aHOI TEMP3: A: 450.0 B: 5862.0 CLASS: HENRY #H53 HIO3 = aHIO3 TEMP3: A: 2.1e5 B: 8700.0 CLASS: HENRY #H54 INO2 = aINO2 TEMP3: A: 2.1e5 B: 8700.0 CLASS: HENRY #H55 INO3 = aINO3 TEMP3: A: 2.1e5 B: 8700.0 CLASS: HENRY #H56 ICL = aICL TEMP3: A: 110.0 B: 5600.0 CLASS: HENRY #H57 IBR = aIBR TEMP3: A: 24.0 B: 5600.0 CLASS: HENRY #H58 ICC(=O)O[O] = aICC(=O)O[O] TEMP3: A: 6.69e2 B: 5893.0 CLASS: HENRY #H59 ICC(=O)O = aICC(=O)O CONST: A: 2.43e+4 CLASS: HENRY #H60 O=C(I)I = aO=C(I)I CONST: A: 7.0e-2 CLASS: HENRY #H61 O=CI = aO=CI TEMP3: A: 3.0e3 B: 7216.0 ######################## HM3 Table S 7 ######################################## CLASS: AQUA #A1 aCL + aCL = aCL2 TEMP3: A: 8.75e7 B: 0.0 CLASS: AQUA #A2 CL2m + aCL = aCL2 + CLm TEMP3: A: 2.1e9 B: 0.0 CLASS: AQUA #A3 CL2m + CL2m = aCL2 + 2 CLm TEMP3: A: 1.8e9 B: 0.0 CLASS: AQUA #A4 CLm + aO3 = OCLm + aO2 TEMP3: A: 3.0e-3 B: 0.0 CLASS: AQUA #A5 aCL + aH2O2 = Hp + CLm + aHO2 TEMP3: A: 2.0e9 B: 0.0 CLASS: AQUA #A6 CL2m + aH2O2 = 2 CLm + Hp + aHO2 TEMP3: A: 6.2e5 B: -3340.0 CLASS: AQUA #A7 CL2m + [aH2O] = Hp + CLm + CLOHm TEMP3: A: 23.4 B: 0.0 FACTOR: $aH2O CLASS: AQUA #A8 CL2m + aHO2 = 2 CLm + Hp + aO2 TEMP3: A: 1.3e10 B: 0.0 CLASS: AQUA #A9 CL2m + O2m = 2 CLm + aO2 TEMP3: A: 6.0e9 B: 0.0 CLASS: AQUA #A10 CL2m + aHO = aHOCL + CLm TEMP3: A: 1.0e9 B: 0.0 CLASS: AQUA #A11 CL2m + OHm = 2 CLm + aHO TEMP3: A: 4.0e6 B: 0.0 CLASS: AQUA #A12 CL3m + aHO2 = CL2m + Hp + CLm + aO2 TEMP3: A: 1.0e9 B: 0.0 CLASS: AQUA #A13 CL3m + O2m = CL2m + CLm + aO2 TEMP3: A: 3.8e9 B: 0.0 CLASS: AQUA #A14 aCL2 + aHO2 = CL2m + Hp + aO2 TEMP3: A: 1.0e9 B: 0.0 CLASS: AQUA #A15 aCL2 + O2m = CL2m + aO2 TEMP3: A: 1.0e9 B: 0.0 CLASS: AQUA #A16 aHOCL + aH2O2 = Hp + CLm + aO2 + [aH2O] TEMP3: A: 8.17e-1 B: 0.0 CLASS: AQUA #A17 OCLm + aH2O2 = CLm + aO2 + [aH2O] TEMP3: A: 2.83e3 B: -5840.0 CLASS: AQUA #A18 aHOCL + aHO2 = aCL + aO2 + [aH2O] TEMP3: A: 7.5e6 B: 0.0 CLASS: AQUA #A19 aHOCL + O2m = CLOHm + aO2 TEMP3: A: 7.5e6 B: 0.0 CLASS: AQUA #A20 OCLm + O2m + [aH2O] = aCL + aO2 + 2.0 OHm TEMP3: A: 2.0e8 B: 0.0 CLASS: AQUA #A21 aHOCL + aHO = aCLO + [aH2O] TEMP3: A: 2.0e9 B: 0.0 CLASS: AQUA #A22 OCLm + aHO = aCLO + OHm TEMP3: A: 8.8e9 B: 0.0 CLASS: AQUA #A23 CL2m + HSO3m = 2 CLm + Hp + SO3m TEMP3: A: 1.7e8 B: -400.0 CLASS: AQUA #A24 CL2m + SO3mm = 2 CLm + SO3m TEMP3: A: 6.2e7 B: 0.0 CLASS: AQUA #A25 aHOCL + SO3mm = CLm + HSO4m TEMP3: A: 7.6e8 B: 0.0 CLASS: AQUA #A26 aHOCL + HSO3m = Hp + CLm + HSO4m TEMP3: A: 7.6e8 B: 0.0 CLASS: AQUA #A27 CLm + HSO5m = aHOCL + SO4mm TEMP3: A: 1.8e-3 B: -7352.0 CLASS: AQUA #A28 aOCS(=O)(=O)[O-] + CL2m = 2 CLm + aOCS(=O)(=O)O TEMP3: A: 5.0e5 B: 0.0 CLASS: AQUA #A29 NO2m + CL2m = 2 CLm + aNO2 TEMP3: A: 6.0e7 B: 0.0 CLASS: AQUA #A30 CL2m + FEpp = 2 CLm + FEppp TEMP3: A: 1.0e7 B: -3030.0 CLASS: AQUA #A31 CL2m + FEpp = FECLpp + CLm TEMP3: A: 4e6 B: -3490.0 CLASS: AQUA #A32 FEOpp + CLm = FEppp + CLOHm + OHm TEMP3: A: 100.0 B: 0.0 CLASS: AQUA #A33 CL2m + MNpp = MNCL2p TEMP3: A: 2e7 B: -4090.0 CLASS: AQUA #A34 MNCL2p = MNpp + CL2m TEMP3: A: 3e5 B: 0.0 CLASS: AQUA #A35 MNCL2p = MNppp + CLm + CLm TEMP3: A: 2.1e5 B: 0.0 CLASS: AQUA #A36 CL2m + CUp = 2 CLm + CUpp TEMP3: A: 1.0e8 B: 0.0 CLASS: AQUA #A37 aCL + CO3mm = CLm + CO3m TEMP3: A: 5.0e8 B: 0.0 CLASS: AQUA #A38 aCL + HCO3m = CLm + Hp + CO3m TEMP3: A: 2.2e8 B: 0.0 CLASS: AQUA #A39 CO3mm + CL2m = 2 CLm + CO3m TEMP3: A: 2.7e6 B: 0.0 CLASS: AQUA #A40 aO=C(O)[O-] + CL2m = 2 CLm + CO3m + Hp TEMP3: A: 2.7e6 B: 0.0 CLASS: AQUA #A41 aCLNO3 = aHOCL + aHNO3 TEMP3: A: 1.62E+06 B: -2800.0 CLASS: AQUA #A42 aCLNO3 + Hp = aHOCL + NO2p TEMP3: A: 1.12E+03 B: -6200.0 CLASS: AQUA #A43 aH2O2 + CLm = OCLm + [aH2O] TEMP3: A: 1.1E-07 B: -11881.0 CLASS: AQUA #A44 aH2O2 + CLm + Hp = aHOCL + [aH2O] TEMP3: A: 2.3E-05 B: -10622.0 CLASS: AQUA #A45 FEpp + aHOCL = FEppp + CLm + aHO TEMP3: A: 1.7E+04 B: 0.0 CLASS: AQUA #A46 FEpp + aCLO2 = FEppp + CLO2m TEMP3: A: 3.0E+03 B: 0.0 CLASS: AQUA #A47 FEpp + aCLO3 = FEppp + CLO3m TEMP3: A: 7.0E+07 B: 0.0 CLASS: AQUA #A48 OCLm + aO3 = 0.79 CLm + 0.21 CLO2m + 1.79 aO2 TEMP3: A: 1.40E+02 B: 0.0 CLASS: AQUA #A49 O3m + aCLO = OCLm + aO3 TEMP3: A: 1.00E+09 B: 0.0 CLASS: AQUA #A50 aCLO2 + NO2m = CLO2m + aNO2 TEMP3: A: 1.13E+02 B: 0.0 CLASS: AQUA #A51 aCLO2 + aO3 = aCLO3 + aO2 TEMP3: A: 1.37E+03 B: 0.0 CLASS: AQUA #A52 aCLO2 + aHO = CLO3m + Hp TEMP3: A: 4.00E+09 B: 0.0 CLASS: AQUA #A53 CL2m + aO3 = OCLm + aCL + aO2 TEMP3: A: 9.00E+07 B: 0.0 CLASS: AQUA #A54 aCLO2 + SO3mm = CLO2m + SO3m TEMP3: A: 2.70E+06 B: 0.0 CLASS: AQUA #A55 aCLO2 + O2m = CLO2m + aO2 TEMP3: A: 3.00E+09 B: 0.0 CLASS: AQUA #A56 CLO2m + aHO = OHm + aCLO2 TEMP3: A: 6.1E+09 B: 0.0 CLASS: AQUA #A57 aCLO2 = aCL + aO2 TEMP3: A: 6.7E+09 B: 0.0 CLASS: AQUA #A58 aCC(=O)C(=O)[O-] + aHOCL = aCC(=O)O + aCO2 + CLm TEMP3: A: 2.17E+00 B: 0.0 CLASS: AQUA #A59 aC=O + aHCLO2 = aO=CO + aHOCL TEMP3: A: 1.20E+04 B: -6495.0 CLASS: AQUA #A60 aOCC=O + aHCLO2 = aOCC(=O)O + aHOCL TEMP3: A: 4.50E+02 B: -5413.0 CLASS: AQUA #A61 aCL2 + NO2m = aCLNO2 + CLm TEMP3: A: 2.50E+06 B: 0.0 CLASS: AQUA #A62 aCLNO2 + NO2m = aN2O4 + CLm TEMP3: A: 7.97E+03 B: 0.0 CLASS: AQUA #A63 aCL + NO2m = CLm + aNO2 TEMP3: A: 5.00E+09 B: 0.0 CLASS: AQUA #A64 aCL + aHOCL = CLm + aCLO + Hp TEMP3: A: 3.00E+09 B: 0.0 CLASS: AQUA #A65 aCL + OCLm = CLm + aCLO TEMP3: A: 8.20E+09 B: 0.0 CLASS: AQUA #A66 OCLm + SO3mm = CLm + SO4mm TEMP3: A: 2.30E+04 B: 0.0 CLASS: AQUA #A67 aHOCL + SO4m = aCLO + HSO4m TEMP3: A: 1.10E+07 B: 0.0 CLASS: AQUA #A68 OCLm + SO4m = aCLO + SO4mm TEMP3: A: 1.30E+09 B: 0.0 CLASS: AQUA #A69 CLO2m + SO4m = aCLO2 + SO4mm TEMP3: A: 2.05E+09 B: 0.0 CLASS: AQUA #A70 aHOCL + aNO3 = aCLO + aHNO3 TEMP3: A: 4.30E+07 B: 0.0 CLASS: AQUA #A71 OCLm + aNO3 = aCLO + NO3m TEMP3: A: 3.60E+09 B: 0.0 CLASS: AQUA #A72 CLO2m + aNO3 = aCLO2 + NO3m TEMP3: A: 4.10E+09 B: 0.0 CLASS: AQUA #A73 CLO2m + HSO3m = OCLm + HSO4m TEMP3: A: 5.50E+00 B: 0.0 CLASS: AQUA #A74 CLO2m + aSO2 = OCLm + aSO3 TEMP3: A: 6.26E+06 B: 0.0 CLASS: AQUA #A75 CLO2m + aSO2 = OCLm + aSO3 TEMP3: A: 6.26E+06 B: 0.0 CLASS: AQUA #A76 aHOCL + aHCLO2 = aCL2O2 + [aH2O] TEMP3: A: 1.00E+05 B: 0.0 CLASS: AQUA #A77 aHOCL + CLO2m + Hp = aCL2O2 + [aH2O] TEMP3: A: 1.06E+06 B: 0.0 CLASS: AQUA #A78 aCL2O2 + [aH2O] = CLm + CLO3m + Hp + Hp TEMP3: A: 1.80E+02 B: 0.0 CLASS: AQUA #A79 aCL2O2 + aCL2O2 = aCLO2 + aCLO2 + aCL2 TEMP3: A: 9.00E+02 B: 0.0 CLASS: AQUA #A80 aCL2O2 + CLO2m = CLm + aCLO2 + aCLO2 TEMP3: A: 5.00E+08 B: 0.0 CLASS: AQUA #A81 CLO3m + aHO = OHm + aCLO3 TEMP3: A: 1.0E+06 B: 0.0 CLASS: AQUA #A82 aCL + CLO3m = aCLO3 + CLm TEMP3: A: 5.00E+08 B: 0.0 CLASS: AQUA #A83 aCLO3 = aCLO + aO2 TEMP3: A: 2.00E+05 B: 0.0 CLASS: AQUA #A84 aHOCL + aHOCL + CLO2m = CLO3m + aCL2 + [aH2O] TEMP3: A: 3.25E+03 B: 0.0 CLASS: AQUA #A85 aH2O2 + aCL2 = Hp + Hp + CLm + CLm + aO2 TEMP3: A: 1.83E+02 B: 5387.0 CLASS: AQUA #A86 aCL + FEpp = CLm + FEppp TEMP3: A: 5.90E+09 B: 0.0 CLASS: AQUA #A87 FECLpp = aCL + FEpp PHOTMCM: I: 9.0e-5 M: 0.74542 N: 0.1187 CLASS: AQUA #A88 aCC(=O)OO + CLm = aHOCL + aCC(=O)[O-] + [aH2O] TEMP3: A: 1.47E-05 B: 0.0 CLASS: AQUA #A89 CL2m + aCOO = 2 CLm + aCO[O] + Hp TEMP3: A: 5e4 B: -3340.0 CLASS: AQUA #A90 aCL + aOC = Hp + CLm + aO[C] TEMP3: A: 1.0e9 B: -4089.0 CLASS: AQUA aOC + CL2m = 2 CLm + Hp + 0.889 a[C]O + 0.111 aC[O] TEMP3: A: 5.1e4 B: -5533 CLASS: AQUA #A92 aCL + aCCO = Hp + CLm + aC[C]O TEMP3: A: 1.6e9 B: 0.0 CLASS: AQUA #A93 aCCO + CL2m = 2 CLm + Hp + 0.089 aOCCO[O] + 0.865 aC[C]O + 0.047 aCC[O] - 0.089 aO2 TEMP3: A: 1.2e5 B: 0.0 CLASS: AQUA #A94 aCL + aCCCO = Hp + CLm + aOCC[C] TEMP3: A: 2.2e9 B: -2285.0 CLASS: AQUA #A95 CL2m + aCCCO = Hp + 2.0 CLm + aOCC[C] TEMP3: A: 1.0e5 B: 0.0 CLASS: AQUA #A96 aCL + aCC(O)C = Hp + CLm + aC[C](O)C TEMP3: A: 3.2e9 B: -2766.0 CLASS: AQUA #A97 CL2m + aCC(O)C = Hp + 2.0 CLm + aC[C](O)C TEMP3: A: 1.9e5 B: 0.0 CLASS: AQUA #A98 aCL + aOCO = Hp + CLm + aO[C]O TEMP3: A: 1.4e9 B: -3127.0 CLASS: AQUA #A99 aOCO + CL2m = 2 CLm + Hp + aO[C]O TEMP3: A: 3.6e4 B: -4330.0 CLASS: AQUA #A100 aCL + aCC=O = Hp + CLm + aC[C]=O TEMP3: A: 6.0e8 B: -1928.0 CLASS: AQUA #A101 aCL + aCC(O)O = Hp + CLm + aC[C](O)O TEMP3: A: 6.0e8 B: -1928.0 CLASS: AQUA #A102 aCC=O + CL2m = 2 CLm + Hp + 0.030 aO=CCO[O] + 0.970 aC[C]=O - 0.030 aO2 TEMP3: A: 4.0e4 B: 0.0 CLASS: AQUA #A103 TEMP3: A: 4.0e4 B: 0.0 CLASS: AQUA #A104 aCL + aCCC=O = Hp + CLm + aCC[C]=O TEMP3: A: 7.5e8 B: -1566.0 CLASS: AQUA #A105 aCL + aCCC(O)O = Hp + CLm + aCC[C](O)O TEMP3: A: 7.5e8 B: -1566.0 CLASS: AQUA #A106 aCL + aCCCC=O = Hp + CLm + aCCC[C]=O TEMP3: A: 2.2e9 B: -1686.0 CLASS: AQUA #A107 aCL + aCCCC(O)O = Hp + CLm + aCCC[C](O)O TEMP3: A: 1.1e9 B: -1686.0 CLASS: AQUA #A108 aCL + aCC(=O)C = Hp + CLm + aCC(=O)[C] TEMP3: A: 7.8e7 B: 0.0 CLASS: AQUA #A109 CL2m + aCC(=O)C = Hp + 2.0 CLm + aCC(=O)[C] TEMP3: A: 1.4e3 B: 0.0 CLASS: AQUA #A110 aCL + aO=CO = Hp + CLm + aO=[C]O TEMP3: A: 2.8e9 B: -2405.0 CLASS: AQUA #A111 aCL + aO=C[O-] = CLm + aO=[C]O TEMP3: A: 4.2e9 B: -1924.0 CLASS: AQUA #A112 aO=CO + CL2m = 2 CLm + Hp + aO=[C]O TEMP3: A: 8e4 B: -4450.0 CLASS: AQUA #A113 HCOOm + CL2m = 2 CLm + aCO2H TEMP3: A: 1.3e6 B: -4930 CLASS: AQUA #A114 aCL + aCC(=O)O = Hp + CLm + aO=C(O)[C] TEMP3: A: 1.0e8 B: -1684.0 CLASS: AQUA #A115 aCL + aCC(=O)[O-] = CLm + a[C] + aCO2 TEMP3: A: 3.7e9 B: -4930.0 CLASS: AQUA #A116 aCC(=O)O + CL2m = 2 CLm + Hp + aO=C(O)[C] TEMP3: A: 1.5e3 B: -4800.0 CLASS: AQUA #A117 aCC(=O)[O-] + CL2m = 2 CLm + a[C] + aCO2 TEMP3: A: 2.6e5 B: -5292.0 CLASS: AQUA #A118 aCL + aCCC(=O)O = Hp + CLm + aC[C]C(=O)O TEMP3: A: 1.2e9 B: -5292.0 CLASS: AQUA #A119 aCL + aCCC(=O)[O-] = Hp + CLm + aC[C]C(=O)[O-] TEMP3: A: 1.2e9 B: -5292.0 CLASS: AQUA #A120 CL2m + aO=C(O)C(=O)[O-] = Hp + 2 CLm + aO=C([O-])C(=O)[O] TEMP3: A: 1.3e6 B: 0.0 CLASS: AQUA #A121 CL2m + aO=C([O-])C(=O)[O-] = 2 CLm + aO=C([O-])C(=O)[O] TEMP3: A: 4e6 B: 0.0 CLASS: AQUA #A122 CL2m + aO=C([O-])C(=O)[O-] = 2 CLm + aO=C([O-])C(=O)[O] TEMP3: A: 4.0e6 B: 0.0 CLASS: AQUA #A123 CL2m + aOC(O)C(O)O = Hp + 2 CLm + 0.266 aOC(O)[C](O)O + 0.734 aOC(O)C(O)[O] TEMP3: A: 4e4 B: 0.0 CLASS: AQUA #A124 aCLCC(O)(O)O[O] = aCLCC(=O)O + aHO2 TEMP3: A: 1.0e3 B: 0.0 CLASS: AQUA #A125 aCLCC(O)(O)O[O] = 2 Hp + aO=C([O-])CCL + O2m TEMP3: A: 1e5 B: 0.0 CLASS: AQUA #A126 aCC(=O)C(=O)CL + [aH2O] = Hp + CLm + aCC(=O)C(=O)O TEMP3: A: 350.0 B: 0.0 CLASS: AQUA #A127 aO=CCL = Hp + CLm + aCO TEMP3: A: 1.0e4 B: 0.0 CLASS: AQUA #A128 aO=CCL + OHm = Hp + CLm + aO=C[O-] TEMP3: A: 2.5e4 B: 0.0 CLASS: AQUA #A129 aO=C(CL)CL + [aH2O] = Hp + CLm + aO=C(O)CL TEMP3: A: 10.0 B: 0.0 CLASS: AQUA #A130 aO=C(CL)CL + OHm = CLm + aO=C(O)CL TEMP3: A: 2.8e4 B: 0.0 CLASS: AQUA #A131 aO=C(O)CL = Hp + CLm + aCO2 TEMP3: A: 1.0e5 B: 0.0 CLASS: AQUA #A132 #Prager et al. 2001 aCC(=O)CL + [aH2O] = aCC(=O)O + Hp + CLm TEMP3: A: 3.50E+02 B: 0.0 FACTOR: $aH2O CLASS: AQUA #A133 #Prager et al. 2001 aCLCC(=O)CL + [aH2O] = aCLCC(=O)O + Hp + CLm TEMP3: A: 5.50E+00 B: 0.0 FACTOR: $aH2O CLASS: AQUA #A134 #Morozov et al. 2007 aOCCCL + aHO = aCLCC(O)O[O] TEMP3: A: 8.36E+08 B: -1067.0 CLASS: AQUA #A135 aCLCC(O)O[O] = aCLCC=O + aHO2 TEMP3: A: 2.00E+02 B: 0.0 CLASS: AQUA #A136 aCLCC(O)O[O] + aCLCC(O)O[O] = aCLCC(=O)O + aCLCC(=O)O + aH2O2 TEMP3: A: 7.300E+08 B: 0.0 CLASS: AQUA #A137 aBR + aBR = aBR2 TEMP3: A: 1.0e9 B: 0.0 CLASS: AQUA #A138 BR2m + BR2m = BR3m + BRm TEMP3: A: 2.04e9 B: 0.0 CLASS: AQUA #A139 BRm + aO3 = OBRm + aO2 TEMP3: A: 210.0 B: -4450.0 CLASS: AQUA #A140 aBR + aHO2 = Hp + BRm + aO2 TEMP3: A: 1.6e8 B: 0.0 CLASS: AQUA #A141 aBR + aH2O2 = Hp + BRm + aHO2 TEMP3: A: 4.0e9 B: 0.0 CLASS: AQUA #A142 aBR2 + aHO2 = Hp + BR2m + aO2 TEMP3: A: 1.1e8 B: 0.0 CLASS: AQUA #A143 aBR2 + O2m = BR2m + aO2 TEMP3: A: 5.6e9 B: 0.0 CLASS: AQUA #A144 aBR2 + aH2O2 = 2.0 Hp + 2.0 BRm + aO2 TEMP3: A: 1.3e3 B: 0.0 CLASS: AQUA #A145 BR2m + aHO = aHOBR + BRm TEMP3: A: 1.0e9 B: 0.0 CLASS: AQUA #A146 BR2m + OHm = 2 BRm + aHO TEMP3: A: 1.1e4 B: 0.0 CLASS: AQUA #A147 BR2m + aHO2 = 2 BRm + aO2 + Hp TEMP3: A: 4.4e9 B: 0.0 CLASS: AQUA #A148 BR2m + aHO2 = aBR2 + aH2O2 - Hp TEMP3: A: 4.4e9 B: 0.0 CLASS: AQUA #A149 BR2m + O2m = 2 BRm + aO2 TEMP3: A: 1.7e8 B: 0.0 CLASS: AQUA #A150 BR2m + aH2O2 = 2 BRm + Hp + aHO2 TEMP3: A: 1.0e5 B: 0.0 CLASS: AQUA #A151 BR3m + aHO2 = BR2m + Hp + BRm + aO2 TEMP3: A: 1.0e7 B: 0.0 CLASS: AQUA #A152 BR3m + O2m = BR2m + BRm + aO2 TEMP3: A: 3.8e9 B: 0.0 CLASS: AQUA #A153 aBRO + aBRO = BRO2m + OBRm + 2.0 Hp TEMP3: A: 2.8e9 B: 0.0 CLASS: AQUA #A154 BRO2m + aBRO = aBRO2 + OBRm TEMP3: A: 4.0e8 B: 0.0 CLASS: AQUA #A155 BRO2m + BR2m = aBRO2 + 2.0 BRm TEMP3: A: 8.0e7 B: 0.0 CLASS: AQUA #A156 BRO2m + aHO = aBRO2 + OHm TEMP3: A: 1.8e9 B: 0.0 CLASS: AQUA #A157 aHOBR + aHO = aBRO + [aH2O] TEMP3: A: 2.0e9 B: 0.0 CLASS: AQUA #A158 OBRm + aHO = aBRO + OHm TEMP3: A: 4.5e9 B: 0.0 CLASS: AQUA #A159 aHOBR + aHO2 = aBR + aO2 + [aH2O] TEMP3: A: 1.0e9 B: 0.0 CLASS: AQUA #A160 aHOBR + O2m = BROHm + aO2 TEMP3: A: 3.5e9 B: 0.0 CLASS: AQUA #A161 OBRm + O2m = aBR + aO2 + 2.0 OHm TEMP3: A: 2.0e8 B: 0.0 CLASS: AQUA #A162 aHOBR + aH2O2 = Hp + BRm + aO2 + [aH2O] TEMP3: A: 3.5e6 B: 0.0 CLASS: AQUA #A163 OBRm + aH2O2 = BRm + aO2 + [aH2O] TEMP3: A: 2.0e5 B: 0.0 CLASS: AQUA #A164 BR2m + HSO3m = 2 BRm + Hp + SO3m TEMP3: A: 5.0e7 B: -780.0 CLASS: AQUA #A165 BR2m + SO3mm = 2 BRm + SO3m TEMP3: A: 3.3e7 B: -650.0 CLASS: AQUA #A166 BRm + SO4m = SO4mm + aBR TEMP3: A: 2.1e9 B: 0.0 CLASS: AQUA #A167 aHOBR + SO3mm = BRm + HSO4m TEMP3: A: 5.0e9 B: 0.0 CLASS: AQUA #A168 aHOBR + HSO3m = Hp + BRm + HSO4m TEMP3: A: 5.0e9 B: 0.0 CLASS: AQUA #A169 BRm + HSO5m = aHOBR + SO4mm TEMP3: A: 1.0 B: -5338.0 CLASS: AQUA #A170 aOCS(=O)(=O)[O-] + BR2m = 2 BRm + aOCS(=O)(=O)O TEMP3: A: 5.0e4 B: 0.0 CLASS: AQUA #A171 BRm + aNO3 = NO3m + aBR TEMP3: A: 3.8e9 B: 0.0 CLASS: AQUA #A172 NO2m + BR2m = 2 BRm + aNO2 TEMP3: A: 1.2e7 B: -1720.0 CLASS: AQUA #A173 NO2p + BRm = aBRNO2 TEMP3: A: 1e10 B: 0.0 CLASS: AQUA #A174 BR2m + FEpp = 2 BRm + FEppp TEMP3: A: 3.6e6 B: -3330.0 CLASS: AQUA #A175 MNBR2p = MNppp + BRm + BRm TEMP3: A: 2.2e5 B: 0.0 CLASS: AQUA #A176 BR2m + MNpp = MNBR2p TEMP3: A: 6.3e6 B: -4330.0 CLASS: AQUA #A177 MNBR2p = MNpp + BR2m TEMP3: A: 3e5 B: 0.0 CLASS: AQUA #A178 BR2m + CUp = 2 BRm + CUpp TEMP3: A: 3.6e6 B: 0.0 CLASS: AQUA #A179 aBR + HCO3m = BRm + Hp + CO3m TEMP3: A: 1.0e6 B: 0.0 CLASS: AQUA #A180 BR2m + CO3mm = 2.0 BRm + CO3m TEMP3: A: 1.1e5 B: 0.0 CLASS: AQUA #A181 aO=C(O)[O-] + BR2m = 2 BRm + CO3m + Hp TEMP3: A: 1.1e5 B: 0.0 CLASS: AQUA #A182 aBRNO3 + [aH2O] = aHOBR + aHNO3 TEMP3: A: 1.00E+09 B: 0.0 FACTOR: $aH2O CLASS: AQUA #A183 aBRNO3 + Hp = aHOBR + NO2p TEMP3: A: 1.12E+03 B: -6200.0 CLASS: AQUA #A184 aH2O2 + BRm = OBRm + [aH2O] TEMP3: A: 1.1E-01 B: -6746.0 CLASS: AQUA #A185 aH2O2 + BRm + Hp = aHOBR + [aH2O] TEMP3: A: 5.0E-05 B: -10441.0 CLASS: AQUA #A186 O3m + aBRO = OBRm + aO3 TEMP3: A: 1.50E+09 B: 0.0 CLASS: AQUA #A187 aHOBR + aO3 = BRO2m + Hp + aO2 TEMP3: A: 1.30E-02 B: 0.0 CLASS: AQUA #A188 OBRm + aO3 = 0.77 BRm + 0.23 BRO2m + 1.77 aO2 TEMP3: A: 4.30E+02 B: 0.0 CLASS: AQUA #A189 aBRO2 + NO2m = BRO2m + aNO2 TEMP3: A: 2.0E+06 B: 0.0 CLASS: AQUA #A190 aBRO2 + SO3mm = BRO2m + SO3m TEMP3: A: 9.5E+08 B: 0.0 CLASS: AQUA #A191 #Zuo et al. 1998 BRO3m + SO4m = aBRO3 + SO4mm TEMP3: A: 1.40E+06 B: 0.0 CLASS: AQUA #A192 aBRO3 = aBRO + aO2 TEMP3: A: 2.00E+05 B: 0.0 CLASS: AQUA #A193 aBRNO2 + NO2m = aN2O4 + BRm TEMP3: A: 1.27E+04 B: 0.0 CLASS: AQUA #A194 aBR + aO3 = aBRO + aO2 TEMP3: A: 1.50E+08 B: 0.0 CLASS: AQUA #A195 OBRm + SO3mm = BRm + SO4mm TEMP3: A: 1.00E+08 B: 0.0 CLASS: AQUA #A196 aHOBR + aHOBR + CO3mm = BRO2m + BRm + HCO3m + Hp TEMP3: A: 3.30E-01 B: 0.0 CLASS: AQUA #A197 aHOBR + aHOBR + OHm = BRO2m + BRm + [aH2O] + Hp TEMP3: A: 1.50E+01 B: 0.0 CLASS: AQUA #A198 OBRm + CO3m = CO3mm + aBRO TEMP3: A: 4.30E+07 B: 0.0 CLASS: AQUA #A199 OBRm + BR2m = aBRO + BRm + BRm TEMP3: A: 8.00E+07 B: 0.0 CLASS: AQUA #A200 BRO2m + CO3m = CO3mm + aBRO2 TEMP3: A: 1.10E+08 B: 0.0 CLASS: AQUA #A201 aHO + aBRO2 = BRO3m + Hp TEMP3: A: 2.00E+09 B: 0.0 CLASS: AQUA #A202 MNpp + aBRO2 = BRO2m + MNppp TEMP3: A: 1.50E+06 B: 0.0 CLASS: AQUA #A203 MNpp + aBR2O4 = aBRO2 + BRO2m + MNppp TEMP3: A: 1.00E+08 B: 0.0 CLASS: AQUA #A204 aSO2 + BRO3m = SO4mm + BRO2m + Hp + Hp TEMP3: A: 8.50E+00 B: 0.0 CLASS: AQUA #A205 HSO3m + BRO3m = SO4mm + BRO2m + Hp TEMP3: A: 2.70E-02 B: 0.0 CLASS: AQUA #A206 aHBRO2 + BRO2m = aHOBR + BRO3m TEMP3: A: 3.91E+01 B: 0.0 CLASS: AQUA #A207 aHOBR + BRO2m = BRm + BRO3m + Hp TEMP3: A: 8.00E-03 B: 0.0 CLASS: AQUA #A208 aHO + BRO3m = aBRO3 + OHm TEMP3: A: 5.00E+06 B: 0.0 CLASS: AQUA #A209 BR2m + CL2m = 2.0 CLm + aBR2 TEMP3: A: 4.0e9 B: 0.0 CLASS: AQUA #A210 BRm + aHOCL + Hp = aBRCL + [aH2O] TEMP3: A: 1.32e6 B: 0.0 CLASS: AQUA #A211 BRm + OCLm + Hp = aBRCL + OHm TEMP3: A: 3.65e10 B: 0.0 CLASS: AQUA #A212 aCLNO2 + BRm = NO2m + aBRCL TEMP3: A: 5e6 B: 0.0 CLASS: AQUA #A213 aBRNO2 + CLm = NO2m + aBRCL TEMP3: A: 10.0 B: 0.0 CLASS: AQUA #A214 CLO2m + BR2m = BRm + BRm + aCLO2 TEMP3: A: 2.0E+07 B: 0.0 CLASS: AQUA #A215 BRO2m + aHOCL = 0.85 CLO3m + 0.93 aHOBR + 0.08 CLO2m + 0.07 BRO3m + 0.92 CLm + 0.92 Hp - 0.85 aHOCL TEMP3: A: 1.6E+02 B: 0.0 CLASS: AQUA #A216 aBROCL(OH)2 + Hp = aHOBR + aHCLO2 + Hp TEMP3: A: 5.35E+02 B: 0.0 CLASS: AQUA #A217 aHCLO2 + BRm = aHOCL + OBRm TEMP3: A: 1.00E-03 B: 0.0 CLASS: AQUA #A218 aBR + CLO2m = aCLO2 + BRm TEMP3: A: 2.30E+08 B: 0.0 CLASS: AQUA #A219 BR2m + CLO2m = aCLO2 + BRm + BRm TEMP3: A: 4.00E+06 B: 0.0 CLASS: AQUA #A220 aCLCC(=O)O + aHOCL + BRm = aBRCL + aO=C([O-])CCL + [aH2O] TEMP3: A: 6.11E+04 B: 0.0 CLASS: AQUA #A221 aCC(=O)O + aHOCL + BRm = aBRCL + aCC(=O)[O-] + [aH2O] TEMP3: A: 2.09E+04 B: 0.0 CLASS: AQUA #A222 BRm + aHOCL = aBRCL + OHm TEMP3: A: 1.55E+03 B: 0.0 CLASS: AQUA #A223 BRm + OCLm + HCO3m = aBRCL + OHm + CO3mm TEMP3: A: 1.25E+02 B: 0.0 CLASS: AQUA #A224 BRm + OCLm = aBRCL + OHm + OHm TEMP3: A: 8.88E-04 B: 0.0 CLASS: AQUA #A225 aBRO2 + aCLO2 + [aH2O] = BRO2m + CLO3m + Hp + Hp TEMP3: A: 2.00E+04 B: 0.0 CLASS: AQUA #A226 aBRO2 + aCLO2 + OHm = BRO2m + CLO3m + Hp TEMP3: A: 1.25E+08 B: 0.0 CLASS: AQUA #A227 aBRO2 + aCLO2 + SO4mm = BRO2m + CLO3m + SO4mm + [aH2O] - OHm - OHm TEMP3: A: 3.60E+07 B: 0.0 CLASS: AQUA #A228 aBRO2 + aCLO2 + aCC(=O)[O-] = BRO2m + CLO3m + aCC(=O)[O-] + [aH2O] - OHm - OHm TEMP3: A: 4.40E+07 B: 0.0 CLASS: AQUA #A229 aBRO2 + aCLO2 + CLm = BRO2m + CLO3m + CLm + [aH2O] - OHm - OHm TEMP3: A: 1.28E+08 B: 0.0 CLASS: AQUA #A230 aBRO2 + aCLO2 + CO3mm = BRO2m + CLO3m + CO3mm + [aH2O] - OHm - OHm TEMP3: A: 1.49E+08 B: 0.0 CLASS: AQUA #A231 aBRO2 + aCLO2 + CLO2m = BRO2m + CLO3m + CLO2m + [aH2O] - OHm - OHm TEMP3: A: 2.20E+08 B: 0.0 CLASS: AQUA #A232 aBRO2 + aCLO2 + BRO2m = BRO2m + CLO3m + BRO2m + [aH2O] - OHm - OHm TEMP3: A: 2.30E+08 B: 0.0 CLASS: AQUA #A233 aBRO2 + aCLO2 + BRm = BRO2m + CLO3m + BRm + [aH2O] - OHm - OHm TEMP3: A: 2.89E+08 B: 0.0 CLASS: AQUA #A234 aCC(=O)OO + BRm = aHOBR + aCC(=O)[O-] + [aH2O] TEMP3: A: 2.40E-01 B: 0.0 CLASS: AQUA #A235 BR2m + aCOO = 2 BRm + Hp + aCO[O] TEMP3: A: 1.0e5 B: 0.0 CLASS: AQUA #A236 aBR + aOC = Hp + BRm + aO[C] TEMP3: A: 4.1e4 B: -3368.0 CLASS: AQUA #A237 aOC + BR2m = 2 BRm + Hp + 0.889 a[C]O + 0.111 aC[O] TEMP3: A: 1e3 B: 0.0 CLASS: AQUA #A238 aBR + aCCO = Hp + BRm + aC[C]O TEMP3: A: 8.2e5 B: -2285.0 CLASS: AQUA #A239 aCCO + BR2m = 2 BRm + Hp + 0.089 aOCCO[O] + 0.865 aC[C]O + 0.047 aCC[O] - 0.089 aO2 TEMP3: A: 3.8e3 B: 0.0 CLASS: AQUA #A240 aBR + aCCCO = Hp + BRm + aOCC[C] TEMP3: A: 3.8e5 B: -1564.0 CLASS: AQUA #A241 aBR + aCC(O)C = Hp + BRm + aC[C](O)C TEMP3: A: 1.8e6 B: -3127.0 CLASS: AQUA #A242 aBR + aOCO = Hp + BRm + aO[C]O TEMP3: A: 3.0e5 B: -3608.0 CLASS: AQUA #A243 aOCO + BR2m = 2 BRm + Hp + aO[C]O TEMP3: A: 3.0e3 B: 0.0 CLASS: AQUA #A244 aBR + aCC=O = Hp + BRm + aC[C]=O TEMP3: A: 1.75e7 B: -1804.0 CLASS: AQUA #A245 aBR + aCC(O)O = Hp + BRm + aC[C](O)O TEMP3: A: 1.75e7 B: -1804.0 CLASS: AQUA #A246 aCC=O + BR2m = 2 BRm + Hp + 0.030 aO=CCO[O] + 0.970 aC[C]=O - 0.030 aO2 TEMP3: A: 2.15e5 B: -2526.0 CLASS: AQUA #A247 aCC(O)O + BR2m = 2 BRm + Hp + 0.056 aOC(O)CO[O] + 0.631 aC[C](O)O + 0.314 aCC(O)[O] - 0.056 aO2 TEMP3: A: 2.15e5 B: -2526.0 CLASS: AQUA #A248 aBR + aCCC=O = Hp + BRm + aCC[C]=O TEMP3: A: 2.85e7 B: -842.0 CLASS: AQUA #A249 aBR + aCCC(O)O = Hp + BRm + aCC[C](O)O TEMP3: A: 2.85e7 B: -842.0 CLASS: AQUA #A250 BR2m + aCCC=O = Hp + 2.0 BRm + aCC[C]=O TEMP3: A: 4.95e5 B: -3614.0 CLASS: AQUA #A251 BR2m + aCCC(O)O = Hp + 2.0 BRm + aCC[C](O)O TEMP3: A: 4.95e5 B: -3614.0 CLASS: AQUA #A252 aBR + aCCCC=O = Hp + BRm + aCCC[C]=O TEMP3: A: 6.67e7 B: -1203.0 CLASS: AQUA #A253 aBR + aCCCC(O)O = Hp + BRm + aCCC[C](O)O TEMP3: A: 3.33e7 B: -1203.0 CLASS: AQUA #A254 BR2m + aCCCC=O = Hp + 2.0 BRm + aCCC[C]=O TEMP3: A: 2.6e5 B: -2289.0 CLASS: AQUA #A255 BR2m + aCCCC(O)O = Hp + 2.0 BRm + aCCC[C](O)O TEMP3: A: 1.3e5 B: -2289.0 CLASS: AQUA #A256 aBR + aO=CO = Hp + BRm + aO=[C]O TEMP3: A: 7.7e5 B: -2288.0 CLASS: AQUA #A257 aBR + aO=C[O-] = BRm + aO=[C]O TEMP3: A: 4.6e8 B: 0.0 CLASS: AQUA #A258 aO=CO + BR2m = 2 BRm + Hp + aO=[C]O TEMP3: A: 4.0e3 B: 0.0 CLASS: AQUA #A259 aO=C[O-] + BR2m = 2 BRm + aHO2 + aCO2 - aO2 TEMP3: A: 4.9e3 B: 0.0 CLASS: AQUA #A260 aCC(=O)O + BR2m = 2 BRm + Hp + aO=C(O)[C] TEMP3: A: 10.0 B: 0.0 CLASS: AQUA #A261 aCC(=O)[O-] + BR2m = 2 BRm + a[C] + aCO2 TEMP3: A: 100.0 B: 0.0 CLASS: AQUA #A262 BR2m + aO=C(O)C(=O)[O-] = Hp + 2 BRm + aO=C([O-])C(=O)[O] TEMP3: A: 3.7e3 B: 0.0 CLASS: AQUA #A263 BR2m + aO=C([O-])C(=O)[O-] = 2 BRm + aO=C([O-])C(=O)[O] TEMP3: A: 1.1e4 B: 0.0 CLASS: AQUA #A264 BR2m + aOC(O)C(O)O = Hp + 2 BRm + 0.266 aOC(O)[C](O)O + 0.734 aOC(O)C(O)[O] TEMP3: A: 500.0 B: 0.0 CLASS: AQUA #A265 BR2m + aOC(O)C(=O)O = Hp + 2 BRm + 0.150 aO=C(O)[C](O)O + 0.850 aO=C(O)C(O)[O] TEMP3: A: 500.0 B: 0.0 CLASS: AQUA #A266 aHOBR + aO=C[O-] = BRm + aCO2 + [aH2O] TEMP3: A: 1.04E+00 B: 0.0 CLASS: AQUA #A267 aBR2 + aO=C[O-] = BRm + BRm + aCO2 + Hp TEMP3: A: 2.02E+01 B: 0.0 CLASS: AQUA #A268 aHOBR + aO=C(O)C(=O)O = BRm + aCO2 + aCO2 + Hp TEMP3: A: 1.70E+01 B: 0.0 CLASS: AQUA #A269 aHBRO2 + aO=C(O)C(=O)O = aHOBR + aCO2 + aCO2 + [aH2O] TEMP3: A: 4.20E+00 B: 0.0 CLASS: AQUA #A270 BRO3m + aO=C(O)C(=O)O = BRO2m + aCO2 + aCO2 + [aH2O] TEMP3: A: 7.47E-04 B: 0.0 CLASS: AQUA #A271 aBRCC(O)(O)O[O] = aBRCC(=O)O + aHO2 TEMP3: A: 1.0e3 B: 0.0 CLASS: AQUA #A272 aBRCC(O)(O)O[O] = 2 Hp + aBRCC(=O)[O-] + O2m TEMP3: A: 1e5 B: 0.0 CLASS: AQUA #A273 aCC(=O)C(=O)BR + [aH2O] = Hp + BRm + aCC(=O)C(=O)O TEMP3: A: 350.0 B: 0.0 CLASS: AQUA #A274 aO=CBR = Hp + BRm + aCO TEMP3: A: 1.0e4 B: 0.0 CLASS: AQUA #A275 aO=CBR + OHm = Hp + BRm + aO=C[O-] TEMP3: A: 2.5e4 B: 0.0 CLASS: AQUA #A276 aO=C(BR)BR + [aH2O] = Hp + BRm + aO=C(O)BR TEMP3: A: 10.0 B: 0.0 CLASS: AQUA #A277 aO=C(BR)BR + OHm = BRm + aO=C(O)BR TEMP3: A: 2.8e4 B: 0.0 CLASS: AQUA #A278 aO=C(O)BR = Hp + BRm + aCO2 TEMP3: A: 1.0e5 B: 0.0 CLASS: AQUA #A279 aI + aI = aI2 TEMP3: A: 1.1e10 B: 0.0 CLASS: AQUA #A280 aI + I2m = I3m TEMP3: A: 6.5e9 B: 0.0 CLASS: AQUA #A281 I2m + I2m = I3m + Im TEMP3: A: 2.5e9 B: 0.0 CLASS: AQUA #A282 Im + aO3 = aHOI + aO2 - Hp TEMP3: A: 2.17e9 B: -8790.0 CLASS: AQUA #A283 aI2 + aHO2 = I2m + Hp + aO2 TEMP3: A: 6.0e9 B: 0.0 CLASS: AQUA #A284 aI2 + O2m = I2m + aO2 TEMP3: A: 6.0e9 B: 0.0 CLASS: AQUA #A285 I3m + aHO2 = I2m + Hp + Im + aO2 TEMP3: A: 2.5e8 B: 0.0 CLASS: AQUA #A286 I3m + O2m = I2m + Im + aO2 TEMP3: A: 2.5e8 B: 0.0 CLASS: AQUA #A287 aHIO2 + aH2O2 = Hp + IO3m + [aH2O] TEMP3: A: 60.0 B: 0.0 CLASS: AQUA #A288 IO2m + aH2O2 = IO3m + [aH2O] TEMP3: A: 60.0 B: 0.0 CLASS: AQUA #A289 aIO + aIO = aHOI + aHIO2 TEMP3: A: 1.5e9 B: 0.0 CLASS: AQUA #A290 aI2 + HSO3m = 3.0 Hp + 2.0 Im + HSO4m TEMP3: A: 1.7e9 B: 0.0 CLASS: AQUA #A291 aHOI + SO3mm = Im + HSO4m TEMP3: A: 5.0e9 B: 0.0 CLASS: AQUA #A292 aHOI + HSO3m = Hp + Im + HSO4m TEMP3: A: 5.0e9 B: 0.0 CLASS: AQUA #A293 aINO3 = aHOI + aHNO3 TEMP3: A: 1.62E+06 B: -2800.0 CLASS: AQUA #A294 aINO3 + Hp = aHOI + NO2p TEMP3: A: 1.12E+03 B: -6200.0 CLASS: AQUA #A295 aH2O2 + Im = OIm + [aH2O] TEMP3: A: 1.4E-02 B: -8407.0 CLASS: AQUA #A296 aH2O2 + Im + Hp = aHOI + [aH2O] TEMP3: A: 9.95E+00 B: -5261.0 CLASS: AQUA #A297 I3m + HSO3m = SO4mm + Im + Im + Im + Hp + Hp + Hp TEMP3: A: 1.50E+07 B: 0.0 CLASS: AQUA #A298 aI2 + SO3mm = SO4mm + Im + Im + Hp + Hp TEMP3: A: 3.10E+09 B: 0.0 CLASS: AQUA #A299 I3m + SO3mm = SO4mm + Im + Im + Im + Hp + Hp TEMP3: A: 2.90E+08 B: 0.0 CLASS: AQUA #A300 aHO + Im = HOIm TEMP3: A: 1.60E+10 B: 0.0 CLASS: AQUA #A301 aNO3 + Im = NO3m + aI TEMP3: A: 4.60E+09 B: 0.0 CLASS: AQUA #A302 aHOI + aO3 = aHIO2 + aO2 TEMP3: A: 3.60E+04 B: 0.0 CLASS: AQUA #A303 OIm + aO3 = IO2m + aO2 TEMP3: A: 1.60E+06 B: 0.0 CLASS: AQUA #A304 aHO + aHOI = aIO + [aH2O] TEMP3: A: 7.00E+09 B: 0.0 CLASS: AQUA #A305 I2m + aHOI = aIO + Im + Im + Hp TEMP3: A: 1.00E+05 B: 0.0 CLASS: AQUA #A306 aHOI + aH2O2 = Im + Hp + aO2 + [aH2O] TEMP3: A: 3.70E+01 B: 0.0 CLASS: AQUA #A307 aI2O2 + Hp = aHIO2 + aHOI + Hp TEMP3: A: 3.20E+04 B: 0.0 CLASS: AQUA #A308 IO2m + IO2m = IO3m + OIm TEMP3: A: 1.03E+02 B: 0.0 CLASS: AQUA #A309 IO3m + aHO = aIO3 + OHm TEMP3: A: 1.08E+05 B: -3187.0 CLASS: AQUA #A310 aIO3 = aIO + aO2 TEMP3: A: 2.00E+05 B: 0.0 CLASS: AQUA #A311 IO3m + HSO3m + Hp = SO4mm + aHIO2 + Hp TEMP3: A: 3.97E+03 B: 0.0 CLASS: AQUA #A312 IO3m + HSO3m = SO4mm + aHIO2 TEMP3: A: 1.46E-01 B: 0.0 CLASS: AQUA #A313 Im + aICL = aI2 + CLm TEMP3: A: 1.1e9 B: 0.0 CLASS: AQUA #A314 Im + aHOCL + Hp = aICL + [H2O] TEMP3: A: 3.5e11 B: 0.0 CLASS: AQUA #A315 Im + aHOBR = aIBR + OHm TEMP3: A: 5.0e9 B: 0.0 CLASS: AQUA #A316 aHOI + aCL2 = aHIO2 + 2.0 Hp + 2.0 CLm - [H2O] TEMP3: A: 1.0e6 B: 0.0 CLASS: AQUA #A317 aHOI + aHOCL = aHIO2 + Hp + CLm TEMP3: A: 5.0e5 B: 0.0 CLASS: AQUA #A318 aHOI + aHOBR = aHIO2 + Hp + BRm TEMP3: A: 1.0e0 B: 0.0 CLASS: AQUA #A319 aHIO2 + aHOCL = IO3m + 2.0 Hp + CLm TEMP3: A: 1.5e3 B: 0.0 CLASS: AQUA #A320 IO2m + aHOCL = IO3m + Hp + CLm TEMP3: A: 1.5e3 B: 0.0 CLASS: AQUA #A321 aHIO2 + aHOBR = IO3m + 2.0 Hp + BRm TEMP3: A: 1.0e6 B: 0.0 CLASS: AQUA #A322 IO2m + aHOBR = IO3m + Hp + BRm TEMP3: A: 1.0e6 B: 0.0 CLASS: AQUA #A323 IOm + aHOBR = IO2m + Hp + BRm TEMP3: A: 1.9e6 B: 0.0 CLASS: AQUA #A324 OIm + OBRm = IO2m + BRm TEMP3: A: 1.8E+03 B: 0.0 CLASS: AQUA #A325 aCLO2 + Im = CLO2m + aI TEMP3: A: 1.40E+03 B: 0.0 CLASS: AQUA #A326 BRO3m + Im + Hp + Hp = aHBRO2 + aHOI TEMP3: A: 4.43E+01 B: 0.0 CLASS: AQUA #A327 BRO3m + aIBR = IO3m + BRm + aHOBR + Hp TEMP3: A: 8.00E-04 B: 0.0 CLASS: AQUA #A328 aHCLO2 + Im = OIm + aHOCL TEMP3: A: 5.00E+00 B: 0.0 CLASS: AQUA #A329 aHCLO2 + aHOI = aHIO2 + aHOCL TEMP3: A: 6.00E+07 B: 0.0 CLASS: AQUA #A330 aHBRO2 + aHOI = aHIO2 + aHOBR TEMP3: A: 6.00E+07 B: 0.0 CLASS: AQUA #A331 OBRm + Im + [aH2O] = aIBR + OHm + OHm TEMP3: A: 6.80E+05 B: 0.0 CLASS: AQUA #A332 aICL + OHm = aHOI + CLm TEMP3: A: 4.50E+09 B: 0.0 CLASS: AQUA #A333 aICL + CO3mm = aHOI + CLm + HCO3m TEMP3: A: 1.40E+09 B: 0.0 CLASS: AQUA #A334 aIBR + OHm = aHOI + BRm TEMP3: A: 6.00E+09 B: 0.0 CLASS: AQUA #A335 aIBR + CO3mm = aHOI + BRm + HCO3m TEMP3: A: 3.50E+09 B: 0.0 CLASS: AQUA #A336 OCLm + Im + HCO3m = aICL + OHm + OHm + HCO3m TEMP3: A: 9.40E+06 B: 0.0 CLASS: AQUA #A337 OCLm + aHOI = aHIO2 + CLm TEMP3: A: 5.20E+01 B: 0.0 CLASS: AQUA #A338 aCC(=O)OO + Im = aHOI + aCC(=O)[O-] + [aH2O] TEMP3: A: 4.22E+02 B: 0.0 CLASS: AQUA #A339 aICC(O)(O)O[O] = aICC(=O)O + aHO2 TEMP3: A: 1.0e3 B: 0.0 CLASS: AQUA #A340 aICC(O)(O)O[O] = 2 Hp + aICC(=O)[O-] + O2m TEMP3: A: 1e5 B: 0.0 CLASS: AQUA #A341 aO=CI = Hp + Im + aCO TEMP3: A: 1.0e4 B: 0.0 CLASS: AQUA #A342 aO=CI + OHm = Hp + Im + aO=C[O-] TEMP3: A: 2.5e4 B: 0.0 CLASS: AQUA #A343 aO=C(I)I + [aH2O] = Hp + Im + aO=C(O)I TEMP3: A: 10.0 B: 0.0 CLASS: AQUA #A344 aO=C(I)I + OHm = Im + aO=C(O)I TEMP3: A: 2.8e4 B: 0.0 CLASS: AQUA #A345 aO=C(O)I = Hp + Im + aCO2 TEMP3: A: 1.0e5 B: 0.0 CLASS: AQUA #A346 aHOI + aO=C(O)C=C + Hp = aOCC(I)C(=O)O + Hp TEMP3: A: 8.07E+02 B: 0.0 CLASS: AQUA #A347 aI2 + aO=C(O)CC(=O)O = aO=C(O)C(I)C(=O)O + Im + Hp TEMP3: A: 4.00E+01 B: 0.0 ######################## HM3 Table S 8 ######################################## CLASS: DISS #E1 aCL + CLm = CL2m DCONST: A: 1.4e5 B: 6e4 CLASS: DISS #E2 aCL2 + CLm = CL3m DCONST: A: 0.18 B: 1.1e5 CLASS: DISS #E3 aCL2 + [aH2O] = Hp + CLm + aHOCL DTEMP2: A: 1.9e-5 B: -4500.0 C: 2.1e4 D: -3500.0 FACTOR: $aH2O CLASS: DISS #E4 aHCL = CLm + Hp DTEMP: A: 1.72e+6 B: 6890.0 C: 2.9e5 CLASS: DISS #E5 aHOCL = Hp + OCLm DCONST: A: 3.0e-08 B: 5.0e+10 CLASS: DISS #E6 CLm + aHO = CLOHm DCONST: A: 0.7 B: 6.1e9 CLASS: DISS #E7 aCL + OHm = CLOHm DCONST: A: 7.83e8 B: 23 CLASS: DISS #E8 CLOHm + Hp = aCL + [aH2O] DCONST: A: 5.1e6 B: 4100.0 CLASS: DISS #E9 CLOHm + CLm = CL2m + OHm DCONST: A: 2.2e-4 B: 4.5e7 CLASS: DISS #E10 SO4m + CLm = SO4mm + aCL DCONST: A: 1.2 B: 2.1e8 CLASS: DISS #E11 aNO3 + CLm = NO3m + aCL DTEMP: A: 3.4 B: -4300.0 C: 1e8 CLASS: DISS #E12 CLm + FEppp = FECLpp DCONST: A: 1.39 B: 2160.0 CLASS: DISS #E13 aHCLO2 = CLO2m + Hp DCONST: A: 1.91E-02 B: 5.00E+10 CLASS: DISS #E14 CLO2m + aO3 = O3m + aCLO2 DCONST: A: 4.55E+01 B: 1.80E+05 CLASS: DISS #E15 aHOCL + NO2m = aCLNO2 + OHm DCONST: A: 3.97E-04 B: 5.00E+10 CLASS: DISS #E16 aCL2 + SO4mm = CLm + aHOCL + HSO4m DCONST: A: 1.14E-03 B: 2.80E+03 CLASS: DISS #E17 aCL2 + aO=C[O-] = CLm + aHOCL + aO=CO DCONST: A: 1.00E+03 B: 1.20E-01 CLASS: DISS #E18 aCL2 + aCC(=O)[O-] = CLm + aHOCL + aCC(=O)O DCONST: A: 3.36E+04 B: 2.80E-02 CLASS: DISS #E19 aCL2 + aO=C([O-])CCL = CLm + aHOCL + aCLCC(=O)O DCONST: A: 3.34E+02 B: 2.90E-01 CLASS: DISS #E20 CL2m + OHm = CLm + CLOHm DCONST: A: 4.50E+03 B: 1.00E+04 CLASS: DISS #E21 SO4m + CLO3m = SO4mm + aCLO3 DCONST: A: 8.00E+00 B: 5.00E+05 CLASS: DISS #E22 aNO3 + CLO3m = NO3m + aCLO3 DCONST: A: 4.20E+00 B: 8.30E+02 CLASS: DISS #E23 aCLO2 + OCLm = CLO2m + aCLO DTEMP: A: 2.53e-10 B: -7337.0 C: 3.60e+09 CLASS: DISS #E24 CLO3m + CLm = CL2O3mm DCONST: A: 5.00E+00 B: 4.00E-01 CLASS: DISS #E25 CL2O3mm + Hp + Hp = aCL2O3H2 DCONST: A: 9.09E-04 B: 2.20E-01 CLASS: DISS #E26 aCL2O3H2 + Hp = aCL2O2 + Hp DCONST: A: 1.00E-01 B: 8.00E+03 CLASS: DISS #E27 NO2p + CLm = aCLNO2 DCONST: A: 7.97E+03 B: 2.70E+02 CLASS: DISS #E28 aCLCC(=O)O[O] + [aH2O] = aCLCC(O)(O)O[O] DCONST: A: 367.0 B: 3.0e4 CLASS: DISS #E29 aCLCC(=O)O = Hp + aO=C([O-])CCL DTEMP: A: 1.75e-5 B: 46.0 C: 5e10 CLASS: DISS #E30 aBR + BRm = BR2m DCONST: A: 6.32e5 B: 1.9e4 CLASS: DISS #E31 aBR2 + BRm = BR3m DCONST: A: 17.5 B: 5.5e7 CLASS: DISS #E32 aBR2 + [aH2O] = Hp + BRm + aHOBR DTEMP: A: 1.06e-10 B: -7500.0 C: 1.6e10 FACTOR: $aH2O CLASS: DISS #E33 aHBR = Hp + BRm DCONST: A: 1.0e9 B: 5.0e2 CLASS: DISS #E34 aHOBR = Hp + OBRm DCONST: A: 2.0e-09 B: 5.0e+10 LASS: DISS #E35 BRm + aHO = BROHm DCONST: A: 333.0 B: 3.3e7 CLASS: DISS #E36 aBR + OHm = BROHm DCONST: A: 3.1e3 B: 4.2e6 CLASS: DISS #E37 BROHm + Hp = aBR + [aH2O] DCONST: A: 1.8e12 B: 2.45e-2 CLASS: DISS #E38 BROHm + BRm = BR2m + OHm DCONST: A: 70.0 B: 2.7e6 CLASS: DISS #E39 aHOBR + aHOBR = Hp + BRm + aHBRO2 DCONST: A: 6.7e-12 B: 3.0e6 CLASS: DISS #E40 aHBRO2 = Hp + BRO2m DCONST: A: 1.26e-5 B: 5.0e10 CLASS: DISS #E41 aHOBR + aHBRO2 = Hp + Hp + BRm + BRO3m DCONST: A: 1.7 B: 2.0 CLASS: DISS #E42 aHBRO2 + aHBRO2 = Hp + BRO3m + aHOBR DCONST: A: 3.0e11 B: 1.0e-8 CLASS: DISS #E43 aBR2O4 + [aH2O] = Hp + BRO3m + aHBRO2 DCONST: A: 52.6 B: 42.0 CLASS: DISS #E44 aBR2O4 = aBRO2 + aBRO2 DCONST: A: 5.3e-5 B: 1.4e9 CLASS: DISS #E45 BRm + CO3m = aBR + CO3mm DCONST: A: 0.05 B: 2.0e6 CLASS: DISS #E46 BRO2m + aO3 = aBRO2 + O3m DCONST: A: 1.78E-04 B: 5.0E+08 CLASS: DISS #E47 aBR2 + [aH2O] + SO4mm = aHOBR + BRm + HSO4m DCONST: A: 6.15E-06 B: 3.70E+09 CLASS: DISS #E48 HCO3m + OBRm = aHOBR + CO3mm DCONST: A: 1.30E-01 B: 3.00E+08 CLASS: DISS #E49 aHOBR + NO2m = aBRNO2 + OHm DCONST: A: 9.86E-06 B: 5.00E+10 CLASS: DISS #E50 aBRCL = aHOBR + CLm + Hp DCONST: A: 1.8e-5 B: 5.6e9 CLASS: DISS #E51 BRCLm = BRm + aCL DCONST: A: 1.6e-7 B: 1.2e10 CLASS: DISS #E52 BRCLm = aBR + CLm DCONST: A: 6.1e-4 B: 1.0e8 CLASS: DISS #E53 BRCLm + BRm = BR2m + CLm DCONST: A: 1.86e3 B: 4.3e6 CLASS: DISS #E54 BRCLm + CLm = CL2m + BRm DCONST: A: 2.75e-8 B: 4.0e9 CLASS: DISS #E55 BR2CLm = aBRCL + BRm DCONST: A: 5.6e-5 B: 7.7e9 CLASS: DISS #E56 BR2CLm = aBR2 + CLm DCONST: A: 0.76 B: 5.0e4 CLASS: DISS #E57 BRCL2m = aBRCL + CLm DCONST: A: 0.17 B: 1.0e6 CLASS: DISS #E58 BRCL2m = aCL2 + BRm DCONST: A: 1.5e-6 B: 6.0e9 CLASS: DISS #E59 BRm + CLOHm = BRCLm + OHm DCONST: A: 333.3 B: 3.0e6 CLASS: DISS #E60 CLm + BROHm = BRCLm + OHm DCONST: A: 9.5 B: 2.0e7 CLASS: DISS #E61 aBRO2 + CLO2m = BRO2m + aCLO2 DCONST: A: 1.0E+06 B: 3.6e+01 CLASS: DISS #E62 aBRCL + aBRCL = aCL2 + aBR2 DCONST: A: 7.6E-03 B: 5.00E10 CLASS: DISS #E63 aCLO2 + OBRm = CLO2m + aBRO DTEMP: A: 1.28e-07 B: -6615.0 C: 1.60e+07 CLASS: DISS #E64 CLO3m + BRm = BROCLO2mm DCONST: A: 5.41E-04 B: 3.70E+03 CLASS: DISS #E65 BROCLO2mm + Hp + Hp = aBROCL(OH)2 DCONST: A: 4.00E-05 B: 2.50E+03 CLASS: DISS #E66 aBR2 + CLO2m = aCLO2 + BR2m DCONST: A: 1.18E-06 B: 1.10E+09 CLASS: DISS #E67 aBRNO2 + BRm = aBR2 + NO2m DCONST: A: 2.60E+00 B: 7.11E+05 CLASS: DISS #E68 aBRCC(=O)O[O] + [aH2O] = aBRCC(O)(O)O[O] DCONST: A: 367.0 B: 3.0e4 CLASS: DISS #E69 aBRCC(=O)O = Hp + aBRCC(=O)[O-] DTEMP: A: 1.75e-5 B: 46.0 C: 5e10 CLASS: DISS #E70 aI + Im = I2m DCONST: A: 1.36e5 B: 6.7e4 CLASS: DISS #E71 aI2 + Im = I3m DCONST: A: 7.13e2 B: 8.7e6 CLASS: DISS #E72 aHI = Im + Hp DCONST: A: 3.2e9 B: 1.56e2 CLASS: DISS #E73 aHOI = OIm + Hp DCONST: A: 3.16e-11 B: 5.0e10 CLASS: DISS #E74 aHOI + Hp + Im = aI2 + [aH2O] DCONST: A: 1.47e12 B: 3.0 CLASS: DISS #E75 aHOI + aHOI = aHIO2 + Hp + Im DCONST: A: 1.25e-9 B: 2.0e10 CLASS: DISS #E76 aHOI + aHOI = IO2m + Hp + Hp + Im DCONST: A: 1.25e-9 B: 2.0e10 CLASS: DISS #E77 aHIO2 = IO2m + Hp DCONST: A: 2.51e-2 B: 5.0e10 CLASS: DISS #E78 aHIO3 = IO3m + Hp DCONST: A: 0.17 B: 5.0e10 CLASS: DISS #E79 aHIO2 + aHOI = IO3m + Im + Hp + Hp DCONST: A: 0.2 B: 1.2e3 CLASS: DISS #E80 IO2m + aHOI = IO3m + Im + Hp DCONST: A: 0.2 B: 1.2e3 CLASS: DISS #E81 IO2m + aI2 = IO3m + Im + Im + Hp + Hp DCONST: A: 1.3e-13 B: 4.2e8 CLASS: DISS #E82 Im + FEppp = FEIpp DCONST: A: 1.00e-03 B: 6.3E+00 CLASS: DISS #E83 HOIm = aI + OHm DCONST: A: 2.19E-01 B: 1.60E+08 CLASS: DISS #E84 aI2 + OHm = I2OHm DCONST: A: 5.00E+00 B: 2.00E+09 CLASS: DISS #E85 I2OHm = aHOI + Im DCONST: A: 8.30E+00 B: 3.00E+08 CLASS: DISS #E86 aIBR + Im = aI2 + BRm DCONST: A: 4.2e5 B: 4.74e3 CLASS: DISS #E87 aHOI + Hp + CLm = aICL DCONST: A: 1.2e4 B: 2.4e6 CLASS: DISS #E88 aHOI + Hp + BRm = aIBR DCONST: A: 5.1e6 B: 8.0e5 CLASS: DISS #E89 aICL + CLm = ICL2m DCONST: A: 77.0 B: 5.5e7 CLASS: DISS #E90 aIBR + BRm = IBR2m DCONST: A: 290.0 B: 1.7e5 CLASS: DISS #E91 aICL + BRm = ICLBRm DCONST: A: 1.8e4 B: 4.3e5 CLASS: DISS #E92 aIBR + CLm = ICLBRm DCONST: A: 1.3 B: 3.8e4 CLASS: DISS #E93 aBR2 + aI2 = aIBR + aIBR DCONST: A: 1.30E+05 B: 1.00E-01 CLASS: DISS #E94 aCLCC(=O)O[O] + [aH2O] = aCLCC(O)(O)O[O] DCONST: A: 367.0 B: 3.0e4 CLASS: DISS #E95 aCLCC(=O)O = Hp + aO=C([O-])CCL DTEMP: A: 1.75e-5 B: 46.0 C: 5e10