COMMENT Chlorine chemistry -- anorganic chemistry CLASS: GAS #G215 CL2 = CL + CL PHOTMCM: I: 3.827e-3 M: 0.543 N: 0.244 CLASS: GAS #G216 CLO = CL + O3PX PHOTMCM: I: 4.755e-4 M: 1.258 N: 0.588 CLASS: GAS #G217 OCLO = CLO + O3PX PHOTMCM: I: 1.332e-1 M: 0.416 N: 0.244 COMMENT update of halogen module 1.0 CLASS: GAS #G218 HOCL = CL + OH PHOTMCM: I: 4.615e-4 M: 0.656 N: 0.240 COMMENT update of halogen module 1.0 CLASS: GAS #G219 CLNO2 = CL + NO2 PHOTMCM: I: 6.219e-4 M: 0.774 N: 0.255 CLASS: GAS #G220 CLNO3 = CL + NO3 PHOTMCM: I: 6.420e-5 M: 0.648 N: 0.217 CLASS: GAS #G221 CLNO3 = CLO + NO2 PHOTMCM: I: 1.393e-5 M: 1.052 N: 0.243 COMMENT BRomine chemistry -- anorganic chemistry COMMENT update of halogen module 1.0 CLASS: GAS #G222 BR2 = BR + BR PHOTMCM: I: 4.773e-2 M: 0.193 N: 0.213 CLASS: GAS #G223 BRO = BR + O3PX PHOTMCM: I: 6.368e-2 M: 0.605 N: 0.269 COMMENT update of halogen module 1.0 CLASS: GAS #G224 HOBR = BR + OH PHOTMCM: I: 3.464e-3 M: 0.441 N: 0.214 COMMENT update of halogen module 1.0 CLASS: GAS #G225 BRNO2 = BR + NO2 PHOTMCM: I: 7.443e-3 M: 0.355 N: 0.236 CLASS: GAS #G226 BRNO3 = 0.71 BRO + 0.71 NO2 + 0.29 BR + 0.29 NO3 PHOTMCM: I: 2.194e-3 M: 0.492 N: 0.215 COMMENT update of halogen module 1.0 CLASS: GAS #G227 BRCL = BR + CL PHOTMCM: I: 1.650e-2 M: 0.297 N: 0.224 COMMENT BRomine chemistry -- organic chemistry CLASS: GAS #G228 CC(=O)CBR = 0.7 BR + 0.7 CO + 0.7 ACO3 + 0.3 BRCC(=O)O[O] + 0.3 MO2 PHOTMCM: I: 3.523e-04 M: 0.885 N: 0.283 CLASS: GAS #G229 CC(=O)C(=O)BR = BR + CO + ACO3 PHOTMCM: I: 1.853E-04 M: 0.583 N: 0.225 CLASS: GAS #G230 BRC(BR)BR = BR + BR + BR + CO + HO2 PHOTMCM: I: 2.228e-6 M: 1.471 N: 0.230 COMMENT iodine chemistry -- anorganic chemistry CLASS: GAS #G231 I2 = I + I PHOTMCM: I: 2.165e-1 M: 0.125 N: 0.185 CLASS: GAS #G232 IO = I + O3PX PHOTMCM: I: 2.640e-3 M: 0.240 N: 0.240 CLASS: GAS #G233 OIO = 0.96 I + 0.04 IO + 0.04 O3PX PHOTMCM: I: 4.243e-2 M: 0.119 N: 0.185 CLASS: GAS #G234 HOI = I + OH PHOTMCM: I: 1.469e-2 M: 0.342 N: 0.236 CLASS: GAS #G235 INO3 = 0.85 I + 0.85 NO3 + 0.15 IO + 0.15 NO2 PHOTMCM: I: 7.764e-2 M: 0.530 N: 0.243 CLASS: GAS #G236 ICL = I + CL PHOTMCM: I: 3.403e-2 M: 0.179 N: 0.207 CLASS: GAS #G237 IBR = I + BR PHOTMCM: I: 1.000e-1 M: 0.149 N: 0.197 COMMENT iodine chemistry -- organic chemistry CLASS: GAS #G238 CC(I)C = I + CC(O[O])C PHOTMCM: I: 3.731e-5 M: 1.292 N: 0.217 CLASS: GAS #G239 ICI = I + I + HO2 + HO2 PHOTMCM: I: 1.496e-2 M: 0.801 N: 0.265 CLASS: GAS #G240 CI = I + MO2 PHOTMCM: I: 1.206e-5 M: 1.254 N: 0.231 CLASS: GAS #G241 CLCI = I + CL + HO2 + HO2 PHOTMCM: I: 6.910e-4 M: 1.057 N: 0.238 CLASS: GAS #G242 BRCI = I + BR + HO2 + HO2 PHOTMCM: I: 4.261e-4 M: 0.976 N: 0.250 COMMENT Chlorine chemistry -- anorganic reactions CLASS: GAS #G243 CL + O3 = CLO TEMP1: A: 2.8E-11 E/R: 250.0 CLASS: GAS #G244 CLO + HO2 = HOCL TEMP1: A: 2.2E-12 E/R: -340.0 CLASS: GAS #G245 HCL + OH = CL TEMP1: A: 1.7E-12 E/R: 230.0 CLASS: GAS #G246 CLO + NO = CL + NO2 TEMP1: A: 6.2E-12 E/R: -295.0 CLASS: GAS #G247 CL + NO2 = CLNO2 TROE: KO: 1.8E-31 N: 2.0 KINF: 1.0E-10 M: 1.0 CLASS: GAS #G248 CLO + NO2 = CLNO3 TROEF: KO: 1.6E-31 N: 3.4 KINF: 7.0E-11 M: 0.0 F: 0.4 CLASS: GAS #G249 CLNO3 = CLO + NO2 SPEC4: C1: 0.0 C2: 0.0 C3: 2.75E-6 C4: -11438.0 COMMENT Chlorine chemistry -- organic reactions CLASS: GAS #G250 CL + C = MO2 + HCL TEMP1: A: 6.60E-12 E/R: 1240.0 CLASS: GAS #G251 CL + CC = ETHPX + HCL TEMP1: A: 8.30E-11 E/R: 100.0 CLASS: GAS #G252 CL + CCC = CC(O[O])C + HCL CONST: A: 1.40E-10 CLASS: GAS #G253 CL + BIGALK = HCL + ALKO2 CONST: A: 2.14E-10 CLASS: GAS #G254 CL + CH3OH = HCHO + HO2 + HCL TEMP1: A: 7.10E-11 E/R: 75 CLASS: GAS #G255 CL + ETOH = 0.92 CH3CHO + 0.92 HO2 + 0.08 OCCO[O] + HCL TEMP1: A: 6.05E-11 E/R: -155.0 CLASS: GAS #G256 CL + CH3OOH = HCL + 0.6 MO2 + 0.4 HCHO + 0.4 OH CONST: A: 5.9E-11 CLASS: GAS #G257 CLO + MO2 = CL + O2 + HCHO + HO2 TEMP1: A: 1.80E-11 E/R: 600.0 CLASS: GAS #G258 CL + HCHO = HCL + CO + HO2 TEMP1: A: 8.1E-11 E/R: 34.0 CLASS: GAS #G259 CL + CH3CHO = HCL + ACO3 CONST: A: 8.00E-11 CLASS: GAS #G260 CL + OHCCH2OH = HCL + OCC(=O)O[O] CONST: A: 7.0E-11 CLASS: GAS #G261 CL + CH3COCH3 = HCL + CC(=O)CO[O] TEMP1: A: 3.2E-11 E/R: 815.0 CLASS: GAS #G262 CL + C2H2 = 0.26 O=CCL + 0.21 CL + 0.53 HCL + 0.21 OHCCHO + 1.32 CO + 0.79 HO2 TROE: KO: 5.2E-30 N: 2.4 KINF: 2.20E-10 M: 0.7 CLASS: GAS #G263 CL + C2H4 = CLCCO[O] TROEF: KO: 1.85E-29 N: 3.3 KINF: 6.00E-10 M: 0.00 F: 0.4 CLASS: GAS #G264 CLCCO[O] + HO2 = CLCCOO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G265 CLCCO[O] + NO = CLCC=O + HO2 + NO2 TEMP1: A: 3.24E-12 E/R: -360.0 CLASS: GAS #G266 CLCCO[O] + NO3 = CLCC=O + HO2 + NO2 CONST: A: 2.30E-12 CLASS: GAS #G267 CLCCO[O] + MO2 = 0.8 HO2 + CLCC=O + HO2 + HCHO TEMP1: A: 5.00E-13 E/R: -400.0 CLASS: GAS #G268 CLCCOO = CLCC=O + HO2 + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G269 CLCC=O + NO3 = CLCC(=O)O[O] + HNO3 TEMP1: A: 1.40E-12 E/R: 1860.0 CLASS: GAS #G270 CLCC=O + OH = CLCC(=O)O[O] CONST: A: 2.09E-11 CLASS: GAS #G271 CLCC=O = CLCO[O] + HO2 + CO PHOTMCM: I: 4.642E-05 M: 7.620E-01 N: 3.530E-01 CLASS: GAS #G272 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 #G273 CLCC(=O)O[O] + NO = CLCO[O] + NO2 TEMP1: A: 7.50E-12 E/R: -290.0 CLASS: GAS #G274 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 #G275 CLCC(=O)O[O] + NO3 = CLCO[O] + NO2 CONST: A: 4.00E-12 CLASS: GAS #G276 CLCC(=O)O[O] + MO2 = 0.70 CLCO[O] + 0.30 CLCC(=O)O + HO2 + HCHO TEMP1: A: 2.00E-12 E/R: -500.0 CLASS: GAS #G277 CLCC(=O)O + OH = CLCO[O] TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G278 CLCC(=O)OO + OH = CLCC(=O)O[O] CONST: A: 4.29E-12 CLASS: GAS #G279 CLCC(=O)OO = CLCO[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G280 CLCC(=O)OON(=O)=O + OH = O=CCL + CO + NO2 CONST: A: 6.26E-13 CLASS: GAS #G281 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 #G282 CLCO[O] + HO2 = 0.3 CLCOO + 0.7 O=CCL TEMP1: A: 3.20E-13 E/R: -820.0 CLASS: GAS #G283 CLCO[O] + NO = O=CCL + HO2 + NO2 TEMP1: A: 4.05E-12 E/R: -360.0 CLASS: GAS #G284 CLCO[O] + NO3 = O=CCL + HO2 + NO2 CONST: A: 2.30E-12 CLASS: GAS #G285 CLCO[O] + MO2 = 0.8 HO2 + O=CCL + HO2 + HCHO TEMP1: A: 5.00E-13 E/R: -400.0 CLASS: GAS #G286 CLCOO = O=CCL + HO2 + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G287 CL + C3H6 = 0.4 CC(O[O])CCL + 0.5 CC(CL)CO[O] + 0.1 HYDRALD + 0.1 HCL TEMP1: A: 1.43E-14 E/R: -2886.0 CLASS: GAS #G288 CC(O[O])CCL + NO = CC(=O)CCL + HO2 + NO2 TEMP1: A: 2.70E-12 E/R: -360.0 CLASS: GAS #G289 CC(CL)CO[O] + NO = CC(CL)C=O + NO2 + HO2 TEMP1: A: 2.70E-12 E/R: -360.0 CLASS: GAS #G290 CC(O[O])CCL + MO2 = CC(=O)CCL + 0.8 HO2 + HO2 + HCHO TEMP1: A: 5.00E-13 E/R: -400.0 CLASS: GAS #G291 CC(=O)CCL + OH = CC(=O)C(CL)O[O] CONST: A: 3.68E-13 CLASS: GAS #G292 CC(=O)CCL = MO2 + CLCC(=O)O[O] PHOTMCM: I: 5.804E-06 M: 1.092E+00 N: 3.770E-01 CLASS: GAS #G293 CC(=O)C(CL)O[O] + HO2 = CC(=O)C(CL)OO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G294 CC(=O)C(CL)O[O] + NO = O=CCL + ACO3 + NO2 TEMP1: A: 2.70E-12 E/R: -360.0 CLASS: GAS #G295 CC(=O)C(CL)O[O] + NO3 = O=CCL + ACO3 + NO2 CONST: A: 2.30E-12 CLASS: GAS #G296 CC(=O)C(CL)O[O] + MO2 = O=CCL + ACO3 + HO2 + HCHO TEMP1: A: 5.00E-13 E/R: -400.0 CLASS: GAS #G297 CC(=O)C(CL)OO + OH = CC(=O)C(CL)O[O] CONST: A: 8.34E-12 CLASS: GAS #G298 CC(=O)C(CL)OO = O=CCL + ACO3 + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G299 O=CCL + NO3 = CO + CL + HNO3 TEMP1: A: 1.40E-12 E/R: 1860.0 CLASS: GAS #G300 O=CCL + OH = CO + CL CONST: A: 6.12E-12 CLASS: GAS #G301 O=CCL = HO2 + CO + CL PHOTMCM: I: 4.642E-05 M: 7.620E-01 N: 3.530E-01 CLASS: GAS #G302 CC(CL)C=O + OH = CC(CL)C(=O)O[O] TEMP1: A: 4.90E-12 E/R: -405.0 CLASS: GAS #G303 CC(CL)C=O + NO3 = CC(CL)C(=O)O[O] + HNO3 TEMP1: A: 3.24E-12 E/R: 1860.0 CLASS: GAS #G304 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 #G305 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 #G306 CC(CL)C(=O)O[O] + NO = CC(CL)O[O] + NO2 TEMP1: A: 7.50E-12 E/R: -290.0 CLASS: GAS #G307 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 #G308 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 #G309 CC(CL)C(=O)O[O] + NO3 = CC(CL)O[O] + NO2 CONST: A: 4.00E-12 CLASS: GAS #G310 CC(CL)C(=O)O[O] + MO2 = 0.30 CC(CL)C(=O)O + 0.70 CC(CL)O[O] + HO2 + HCHO TEMP1: A: 2.00E-12 E/R: -500.0 CLASS: GAS #G311 CC(CL)C(=O)OO + OH = CC(CL)C(=O)O[O] CONST: A: 4.42E-12 CLASS: GAS #G312 CC(CL)C(=O)O + OH = CC(CL)O[O] CONST: A: 1.20E-12 CLASS: GAS #G313 CC(CL)O[O] + HO2 = CC(CL)OO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G314 CC(CL)O[O] + NO = CH3CHO + CL + NO2 TEMP1: A: 4.05E-12 E/R: -360.0 CLASS: GAS #G315 CC(CL)O[O] + NO3 = CH3CHO + CL + NO2 CONST: A: 2.30E-12 CLASS: GAS #G316 CC(CL)O[O] + MO2 = 0.6 CH3CHO + 0.6 CL + 0.2 HO2 + 0.4 CC(=O)CL + HO2 + HCHO TEMP1: A: 5.00E-13 E/R: -400.0 CLASS: GAS #G317 CC(CL)OO + OH = CC(CL)O[O] TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G318 CC(CL)OO + OH = CC(=O)CL + OH CONST: A: 9.95E-12 CLASS: GAS #G319 CC(=O)CL + OH = O=C(CL)CO[O] CONST: A: 3.88E-14 CLASS: GAS #G320 CC(=O)CL = ACO3 + CL PHOTMCM: I: 5.804E-06 M: 1.092E+00 N: 3.770E-01 CLASS: GAS #G321 O=C(CL)CO[O] + HO2 = O=C(CL)COO TEMP1: A: 3.30E-13 E/R: -820.0 CLASS: GAS #G322 O=C(CL)CO[O] + NO = HCHO + CO + CL + NO2 TEMP1: A: 3.24E-12 E/R: -360.0 CLASS: GAS #G323 O=C(CL)CO[O] + NO3 = HCHO + CO + CL + NO2 CONST: A: 2.30E-12 CLASS: GAS #G324 O=C(CL)CO[O] + MO2 = HCHO + CO + CL + HO2 + HCHO TEMP1: A: 5.00E-13 E/R: -400.0 CLASS: GAS #G325 O=C(CL)COO = HCHO + CO + CL + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G326 CC(CL)OO = CH3CHO + CL + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 COMMENT BRomine chemistry -- anorganic reactions COMMENT has already been implemented in halogen module 1.0 CLASS: GAS #G327 BR + O3 = BRO TEMP1: A: 1.7E-11 E/R: 800.0 COMMENT update of halogen module 1.0 CLASS: GAS #G328 BRO + HO2 = HOBR TEMP1: A: 4.5E-12 E/R: -500.0 CLASS: GAS #G329 BRO + BRO = 1.7 BR + 0.15 BR2 TEMP1: A: 1.6E-12 E/R: -210.0 CLASS: GAS #G330 BR + NO2 = BRNO2 TROEF: KO: 4.2E-31 N: 2.4 KINF: 2.7E-11 M: 0.0 F: 0.55 CLASS: GAS #G331 BRO + NO = BR + NO2 TEMP1: A: 8.7E-12 E/R: -260.0 CLASS: GAS #G332 BRO + NO2 = BRNO3 TROEF: KO: 4.7E-31 N: 3.1 KINF: 1.8E-11 M: 0.0 F: 0.4 CLASS: GAS #G333 BRNO3 = BRO + NO2 TEMP1: A: 2.79E13 E/R: 12360 CLASS: GAS #G334 BR + BRNO3 = BR2 + NO3 CONST: A: 4.9E-11 CLASS: GAS #G335 BRO + CLO = 0.95 BR + 0.5 OCLO + 0.45 CL + 0.05 BRCL TEMP1: A: 7.32E-12 E/R: -200.0 COMMENT BRomine chemistry -- organic reactions CLASS: GAS #G336 BRO + MO2 = 0.25 BR + 0.25 HCHO + 0.25 HO2 + 0.75 HOBR + 0.75 HCOOH TEMP1: A: 4.1E-13 E/R: -800.0 CLASS: GAS #G337 BR + C2H2 = 0.17 O=CBR + 0.09 BR + 0.74 HBR + 0.09 OHCCHO + 1.65 CO + 0.91 HO2 TEMP1: A: 6.35E-15 E/R: -440.0 CLASS: GAS #G338 BR + HCHO = HBR + CO + HO2 TEMP1: A: 1.7E-11 E/R: 800.0 CLASS: GAS #G339 BRO + HCHO = HOBR + CO + HO2 CONST: A: 1.5E-14 CLASS: GAS #G340 BR + CH3CHO = HBR + ACO3 TEMP1: A: 1.8E-11 E/R: 460.0 CLASS: GAS #G341 BR + BIGALK = ALKO2 + HBR CONST: A: 1.28E-13 CLASS: GAS #G342 BR + C2H4 = BRCCO[O] TEMP1: A: 2.25E-13 E/R: -277.0 CLASS: GAS #G343 BRCCO[O] + MO2 = BRCC=O + 0.8 HO2 + HO2 + HCHO TEMP1: A: 5.00E-13 E/R: -400.0 CLASS: GAS #G344 BRCCO[O] + NO = BRCC=O + HO2 + NO2 CONST: A: 9.7E-12 CLASS: GAS #G345 BRCC=O + OH = BRCC(=O)O[O] CONST: A: 2.05E-12 CLASS: GAS #G346 BRCC=O = BRCO[O] + HO2 + CO PHOTMCM: I: 4.642E-05 M: 7.620E-01 N: 3.530E-01 CLASS: GAS #G347 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 #G348 BRCC(=O)O[O] + NO = BRCO[O] + NO2 TEMP1: A: 7.50E-12 E/R: -290.0 CLASS: GAS #G349 BRCC(=O)O[O] + MO2 = 0.30 BRCC(=O)O + 0.70 BRCO[O] + HO2 + HCHO TEMP1: A: 2.00E-12 E/R: -500.0 CLASS: GAS #G350 BRCC(=O)OO + OH = BRCC(=O)O[O] CONST: A: 3.79E-12 CLASS: GAS #G351 BRCC(=O)OO = BRCO[O] + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G352 BRCC(=O)O + OH = BRCO[O] TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G353 BRCO[O] + HO2 = BRCOO TEMP1: A: 4.28E-13 E/R: -820.0 CLASS: GAS #G354 BRCO[O] + NO = O=CBR + HO2 + NO2 TEMP1: A: 4.05E-12 E/R: -360.0 CLASS: GAS #G355 BRCO[O] + NO3 = O=CBR + HO2 + NO2 CONST: A: 2.30E-12 CLASS: GAS #G356 BRCO[O] + MO2 = 0.80 HO2 + O=CBR + HO2 + HCHO TEMP1: A: 5.00E-13 E/R: -400.0 CLASS: GAS #G357 BRCOO + OH = BRCO[O] TEMP1: A: 1.90E-12 E/R: -190.0 CLASS: GAS #G358 BRCOO + OH = O=CBR + OH CONST: A: 5.79E-12 CLASS: GAS #G359 BRCOO = O=CBR + HO2 + OH PHOTMCM: I: 7.649E-06 M: 6.820E-01 N: 2.790E-01 CLASS: GAS #G360 O=CBR + NO3 = CO + BR + HNO3 TEMP1: A: 1.40E-12 E/R: 1860.0 CLASS: GAS #G361 O=CBR + OH = CO + BR CONST: A: 1.16E-12 CLASS: GAS #G362 O=CBR = HO2 + CO + BR PHOTMCM: I: 4.642E-05 M: 7.620E-01 N: 3.530E-01 CLASS: GAS #G363 BR + C3H6 = CC(O[O])CBR CONST: A: 3.6E-12 CLASS: GAS #G364 CC(O[O])CBR + MO2 = CC(=O)CBR + 0.8 HO2 + HO2 + HCHO TEMP1: A: 5.00E-13 E/R: -400.0 CLASS: GAS #G365 CC(O[O])CBR + NO = CC(=O)CBR + HO2 + NO2 TEMP1: A: 2.70E-12 E/R: -360.0 CLASS: GAS #G366 CC(=O)CBR + OH = CC(=O)C(BR)O[O] TEMP1: A: 8.8E-12 E/R: 1320.0 CLASS: GAS #G367 CC(=O)C(BR)O[O] + MO2 = 0.2 HO2 + 0.4 CC(=O)C(=O)BR + 0.6 ACO3 + 0.6 O=CBR + HO2 + HCHO TEMP1: A: 5.00E-13 E/R: -400.0 CLASS: GAS #G368 CC(=O)C(BR)O[O] + NO = ACO3 + O=CBR + NO2 CONST: A: 8.0E-12 COMMENT iodine chemistry -- anorganic reactions CLASS: GAS #G369 I + O3 = IO TEMP1: A: 2.1E-11 E/R: 830.0 CLASS: GAS #G370 I2 + OH = I + HOI CONST: A: 2.1E-10 CLASS: GAS #G371 IO + HO2 = HOI TEMP1: A: 1.4E-11 E/R: -540.0 CLASS: GAS #G372 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 #G373 OIO + OH = HIO3 TEMP1: A: 2.2E-10 E/R: -243.0 CLASS: GAS #G374 IO + O3 = 0.83 I + 0.17 OIO CONST: A: 1.2E-15 CLASS: GAS #G375 IO + OIO = I2O3 CONST: A: 1.00E-10 CLASS: GAS #G376 I2O3 = IO + OIO CONST: A: 2.78E-11 CLASS: GAS #G377 OIO + OIO = I2O4 CONST: A: 1.00E-10 CLASS: GAS #G378 I2O4 = OIO + OIO CONST: A: 1.67E+00 CLASS: GAS #G379 I2 + O3 = IO + I TEMP1: A: 4.02E-15 E/R: 2050.0 CLASS: GAS #G380 I2O2 = 0.995 OIO + 0.995 I + 0.01 IO CONST: A: 1.00e+01 CLASS: GAS #G381 I2 + NO3 = I + INO3 CONST: A: 1.5E-12 CLASS: GAS #G382 IO + NO = I + NO2 TEMP1: A: 7.15E-12 E/R: -300.0 CLASS: GAS #G383 IO + NO2 = INO3 TROEF: KO: 7.7E-31 N: 5.0 KINF: 1.6E-11 M: 0.00 F: 0.4 CLASS: GAS #G384 OIO + NO = IO + NO2 TEMP1: A: 1.1E-12 E/R: -542.0 CLASS: GAS #G385 INO3 = IO + NO2 SPEC4: C1: 0.0 C2: 0.0 C3: 4.4E-5 C4: -12060.0 CLASS: GAS #G386 IO + MO2 = I + HO2 + HCHO CONST: A: 2.0E-12 COMMENT mixed halide chemistry -- iodine with chlorine and BRomine species CLASS: GAS #G387 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 #G388 IO + BRO = 0.8 OIO + BR + 0.2 I TEMP1: A: 1.5E-11 E/R: -510.0 CLASS: HENRY #H12 HCL = aHCL TEMP3: A: 1.1 B: 2020.0 CLASS: HENRY #H24 BR2 = aBR2 TEMP3: A: 7.60e-1 B: 4100.0 CLASS: HENRY #H25 CL2 = aCL2 TEMP3: A: 9.15e-2 B: 2490.0 CLASS: HENRY #H31 CLNO2 = aCLNO2 CONST: A: 0.024 CLASS: HENRY #H32 BRNO2 = aBRNO2 CONST: A: 0.3 COMMENT Chlorine chemistry CLASS: HENRY #H43 CL = aCL CONST: A: 0.2 CLASS: HENRY #H44 HOCL = aHOCL TEMP3: A: 660.0 B: 5862.0 CLASS: HENRY #H45 O=CCL = aO=CCL TEMP3: A: 3.0e3 B: 7216.0 CLASS: HENRY #H46 CLNO3 = aCLNO3 TEMP3: A: 2.1e5 B: 8700.0 COMMENT BRomine chemistry CLASS: HENRY #H47 BR = aBR CONST: A: 1.2 CLASS: HENRY #H48 HBR = aHBR TEMP3: A: 1.3 B: 10239.0 CLASS: HENRY #H49 HOBR = aHOBR TEMP3: A: 93.0 B: 5862.0 CLASS: HENRY #H50 BRCL = aBRCL TEMP3: A: 0.94 B: -5600.0 CLASS: HENRY #H51 O=CBR = aO=CBR CONST: A: 7.40e1 CLASS: HENRY #H52 BRNO3 = aBRNO3 TEMP3: A: 2.1e5 B: 8700.0 CLASS: HENRY #H53 BRCC(=O)O[O] = aBRCC(=O)O[O] TEMP3: A: 6.69e2 B: 5893.0 CLASS: HENRY #H54 BRCC(=O)O = aBRCC(=O)O TEMP3: A: 1.52e5 B: 9300.0 COMMENT iodine chemistry CLASS: HENRY #H55 I2 = aI2 TEMP3: A: 3.0 B: 4431.0 CLASS: HENRY #H56 HOI = aHOI TEMP3: A: 450.0 B: 5862.0 CLASS: HENRY #H57 HIO3 = aHIO3 TEMP3: A: 2.1e5 B: 8700.0 CLASS: HENRY #H58 ICL = aICL TEMP3: A: 110.0 B: 5600.0 CLASS: HENRY #H59 IBR = aIBR TEMP3: A: 24.0 B: 5600.0 COMMENT chlorine chemistry -- anorganic reactions CLASS: AQUA #A144 CL2m + aH2O2 = 2 CLm + Hp + aHO2 TEMP3: A: 5e4 B: -3340.0 CLASS: AQUA #A145 CL2m + [aH2O] = Hp + CLm + CLOHm TEMP3: A: 23.4 B: 0.0 FACTOR: $aH2O CLASS: AQUA #A146 aHOCL + aHO2 = aCL + aO2 + [aH2O] TEMP3: A: 7.5e6 B: 0.0 CLASS: AQUA #A147 aHOCL + aHO = aCLO + [aH2O] TEMP3: A: 2.0e9 B: 0.0 CLASS: AQUA #A148 CL2m + HSO3m = 2 CLm + Hp + SO3m TEMP3: A: 1.7e8 B: -400.0 CLASS: AQUA #A149 aHOCL + HSO3m = Hp + CLm + HSO4m TEMP3: A: 7.6e8 B: 0.0 CLASS: AQUA #A150 CLm + HSO5m = aHOCL + SO4mm TEMP3: A: 1.8e-3 B: -7352.0 CLASS: AQUA #A151 CL2m + FEpp = 2 CLm + FEppp TEMP3: A: 1.0e7 B: -3030.0 CLASS: AQUA #A152 FEOpp + CLm = FEppp + CLOHm + OHm - [aH2O] TEMP3: A: 100.0 B: 0.0 CLASS: AQUA #A153 CL2m + MNpp = MNCL2p TEMP3: A: 2e7 B: -4090.0 CLASS: AQUA #A154 MNCL2p = 0.412 MNppp + 0.824 CLm + 0.588 MNpp + 0.588 CL2m TEMP3: A: 5.1e5 B: 0.0 CLASS: AQUA #A155 aCLO + aCLO = aCL2O2 TEMP3: A: 2.50E+09 B: 0.0 CLASS: AQUA #A156 aCL2O2 + [aH2O] = CLm + CLO3m + Hp + Hp TEMP3: A: 1.80E+02 B: 0.0 FACTOR: $aH2O CLASS: AQUA #A157 aHO + CLO3m = aCLO + OHm TEMP3: A: 1.00E+06 B: 0.0 CLASS: AQUA #A158 aH2O2 + aCL2 = Hp + Hp + CLm + CLm + aO2 TEMP3: A: 1.83E+02 B: 5387.0 CLASS: AQUA #A159 aCLNO3 = aHOCL + aHNO3 TEMP3: A: 1.62E+06 B: -2800.0 COMMENT chlorine chemistry -- organic chemistry CLASS: AQUA #A160 CL2m + O=C([O-])C(=O)O = 2 CLm + aCO2 + aHO2 + aCO2 TEMP3: A: 1.3e6 B: 0.0 CLASS: AQUA #A161 CL2m + O=C([O-])C(=O)[O-] = 2 CLm + aCO2 + O2m + aCO2 TEMP3: A: 4e6 B: 0.0 CLASS: AQUA #A162 aO=CCL = Hp + CLm + aCO TEMP3: A: 1.0e4 B: 0.0 COMMENT BRomine chemistry -- anorganic reactions CLASS: AQUA #A163 aBR + aH2O2 = Hp + BRm + aHO2 TEMP3: A: 4.0e9 B: 0.0 CLASS: AQUA #A164 BR2m + aHO2 = BRm + 0.5 aO2 + 0.5 aBR2 + 0.5 aH2O2 TEMP3: A: 8.8e9 B: 0.0 CLASS: AQUA #A165 aBRO + aBRO = BRO2m + aHOBR + Hp - [aH2O] TEMP3: A: 2.8e9 B: 0.0 CLASS: AQUA #A166 BRO2m + BR2m = aBRO2 + 2.0 BRm TEMP3: A: 8.0e7 B: 0.0 CLASS: AQUA #A167 BRO2m + aHO = aBRO2 + OHm TEMP3: A: 1.8e9 B: 0.0 CLASS: AQUA #A168 aHOBR + aHO = aBRO + [aH2O] TEMP3: A: 2.0e9 B: 0.0 CLASS: AQUA #A169 aHOBR + aHO2 = aBR + aO2 + [aH2O] TEMP3: A: 1.0e9 B: 0.0 CLASS: AQUA #A170 aHOBR + aH2O2 = Hp + BRm + aO2 + [aH2O] TEMP3: A: 3.5e6 B: 0.0 CLASS: AQUA #A171 aHOBR + HSO3m = Hp + BRm + HSO4m TEMP3: A: 5.0e9 B: 0.0 CLASS: AQUA #A172 BRm + HSO5m = aHOBR + SO4mm TEMP3: A: 1.0 B: -5338.0 CLASS: AQUA #A173 BRm + aNO3 = NO3m + aBR TEMP3: A: 3.8e9 B: 0.0 CLASS: AQUA #A174 BR2m + FEpp = 2 BRm + FEppp TEMP3: A: 3.6e6 B: -3330.0 CLASS: AQUA #A175 BR2m + MNpp = MNBR2p TEMP3: A: 6.3e6 B: -4330.0 CLASS: AQUA #A176 MNBR2p = 0.577 MNpp + 0.577 BR2m + 0.423 MNppp + 0.846 BRm TEMP3: A: 5.2e5 B: 0.0 CLASS: AQUA #A177 aBRO2 + NO2m = BRO2m + aNO2 TEMP3: A: 2.0E+06 B: 0.0 CLASS: AQUA #A178 aBRO2 + SO3mm = BRO2m + SO3m TEMP3: A: 9.5E+08 B: 0.0 CLASS: AQUA #A179 BRO3m + SO4m = aBRO + aO2 + SO4mm TEMP3: A: 1.40E+06 B: 0.0 CLASS: AQUA #A180 aBR + aO3 = aBRO + aO2 TEMP3: A: 1.50E+08 B: 0.0 CLASS: AQUA #A181 aHO + aBRO2 = BRO3m + Hp TEMP3: A: 2.00E+09 B: 0.0 CLASS: AQUA #A182 HSO3m + BRO3m = SO4mm + BRO2m + Hp TEMP3: A: 2.70E-02 B: 0.0 CLASS: AQUA #A183 aHO + BRO3m = aBRO + aO2 + OHm TEMP3: A: 5.00E+06 B: 0.0 CLASS: AQUA #A184 aBRNO3 + [aH2O] = aHOBR + aHNO3 TEMP3: A: 1.00E+09 B: 0.0 FACTOR: $aH2O CLASS: AQUA #A185 BRO3m + O=C([O-])C(=O)O = BRO2m + aCO2 + aCO2 + OHm TEMP3: A: 7.47E-04 B: 0.0 COMMENT mixed halide chemistry -- BRomine with chlorine species CLASS: AQUA #A186 aO=CBR = Hp + BRm + aCO TEMP3: A: 1.0e4 B: 0.0 CLASS: AQUA #A187 aBRCC(=O)O[O] = aBRCC(=O)O + aHO2 TEMP3: A: 1.97e7 B: 0.0 CLASS: AQUA #A188 aO=C[O-] + BR2m = 2 BRm + aHO2 + aCO2 - aO2 TEMP3: A: 4.9e3 B: 0.0 COMMENT has already been implemented in halogen module 1.0 CLASS: AQUA #A189 BRm + aHOCL + Hp = aBRCL + [aH2O] TEMP3: A: 1.32e6 B: 0.0 CLASS: AQUA #A190 BRO2m + aHOCL = 0.85 CLO3m + 0.93 aHOBR + 0.08 aCLO2m + 0.07 BRO3m + 0.92 CLm + 0.92 Hp - 0.85 aHOCL TEMP3: A: 1.6E+02 B: 0.0 COMMENT iodine chemistry -- inorganic chemistry CLASS: AQUA #A191 Im + aO3 = aHOI + aO2 - Hp TEMP3: A: 2.17e9 B: -8790.0 CLASS: AQUA #A192 aIO + aIO = aHOI + aHIO2 - [aH2O] TEMP3: A: 1.5e9 B: 0.0 CLASS: AQUA #A193 IO2m + aH2O2 = IO3m + [aH2O] TEMP3: A: 60.0 B: 0.0 CLASS: AQUA #A194 aHOI + HSO3m = Hp + Im + HSO4m TEMP3: A: 5.0e9 B: 0.0 CLASS: AQUA #A195 aHO + aHOI = aIO + [aH2O] TEMP3: A: 7.00E+09 B: 0.0 CLASS: AQUA #A196 IO3m + aHO = aIO + aO2 + OHm TEMP3: A: 1.08E+05 B: -3187.0 CLASS: AQUA #A197 IO3m + HSO3m + Hp = SO4mm + aHIO2 + Hp TEMP3: A: 3.97E+03 B: 0.0 CLASS: AQUA #A198 IO3m + HSO3m = SO4mm + aHIO2 TEMP3: A: 1.46E-01 B: 0.0 COMMENT aqueous phase equilibria COMMENT chlorine chemistry CLASS: DISS #D047 aCL + CLm = CL2m DCONST: A: 1.4e5 B: 6e4 CLASS: DISS #D048 aCL2 = Hp + CLm + aHOCL DTEMP2: A: 1.05e-3 B: -4500.0 C: 2.1e4 D: -3500.0 CLASS: DISS #D049 aHCL = CLm + Hp DTEMP: A: 1.72e+6 B: 6890.0 C: 2.9e5 CLASS: DISS #D050 CLm + aHO = CLOHm DCONST: A: 0.7 B: 6.1e9 CLASS: DISS #D051 aCL + OHm = CLOHm DCONST: A: 7.83e8 B: 23 CLASS: DISS #D052 CLOHm + Hp = aCL + [aH2O] DCONST: A: 5.1e6 B: 4100.0 CLASS: DISS #D053 CLOHm + CLm = CL2m + OHm DCONST: A: 2.2e-4 B: 4.5e7 CLASS: DISS #D054 SO4m + CLm = SO4mm + aCL DCONST: A: 1.2 B: 2.1e8 CLASS: DISS #D055 aNO3 + CLm = NO3m + aCL DTEMP: A: 3.4 B: -4300.0 C: 1e8 CLASS: DISS #D056 NO2p + CLm = aCLNO2 DCONST: A: 1.44E+08 B: 2.70E+02 CLASS: DISS #D057 aHOCL + NO2m = aCLNO2 + OHm DCONST: A: 3.97E-04 B: 5.00E+10 CLASS: DISS #D058 aCL2 + SO4mm = CLm + aHOCL + HSO4m DCONST: A: 1.14E-02 B: 2.80E+03 COMMENT BRomine chemistry CLASS: DISS #D059 aBR + BRm = BR2m DCONST: A: 6.32e5 B: 1.9e4 CLASS: DISS #D060 aBR2 + [aH2O] = Hp + BRm + aHOBR DTEMP: A: 1.06e-10 B: -7500.0 C: 1.6e10 FACTOR: $aH2O CLASS: DISS #D061 aHBR = Hp + BRm DCONST: A: 1.0e9 B: 5.0e2 CLASS: DISS #D062 BRm + aHO = BROHm DCONST: A: 333.0 B: 3.3e7 CLASS: DISS #D063 aBR + OHm = BROHm DCONST: A: 3.1e3 B: 4.2e6 CLASS: DISS #D064 BROHm + Hp = aBR + [aH2O] DCONST: A: 1.8e12 B: 2.45e-2 CLASS: DISS #D065 BROHm + BRm = BR2m + OHm DCONST: A: 70.0 B: 2.7e6 COMMENT has already been implemented in halogen module 1.0 CLASS: DISS #D066 aHOBR + aHOBR = BRm + BRO2m DCONST: A: 6.7e-12 B: 3.0e6 CLASS: DISS #D067 aHOBR + BRO2m = Hp + BRm + BRO3m DCONST: A: 1.7 B: 2.0 CLASS: DISS #D068 aBR2 + [aH2O] + SO4mm = aHOBR + BRm + HSO4m DCONST: A: 6.15E-06 B: 3.70E+09 FACTOR: $aH2O CLASS: DISS #D069 BRO2m + aO3 = aBRO2 + O3m DCONST: A: 1.78E-04 B: 5.0E+08 CLASS: DISS #D070 aBRCC(=O)O = Hp + aBRCC(=O)[O-] DTEMP: A: 1.75e-5 B: 46.0 C: 5e10 COMMENT mixed halide chemistry -- BRomine and chlorine species CLASS: DISS #D071 aBRCL = aHOBR + CLm + Hp DCONST: A: 1.8e-5 B: 5.6e9 CLASS: DISS #D072 BRCLm = BRm + aCL DCONST: A: 1.6e-7 B: 1.2e10 CLASS: DISS #D073 BRCLm = aBR + CLm DCONST: A: 6.1e-4 B: 1.0e8 CLASS: DISS #D074 BRCLm + BRm = BR2m + CLm DCONST: A: 1.86e3 B: 4.3e6 CLASS: DISS #D075 BRCLm + CLm = CL2m + BRm DCONST: A: 2.75e-8 B: 4.0e9 CLASS: DISS #D076 BR2CLm = aBRCL + BRm DCONST: A: 5.6e-5 B: 7.7e9 CLASS: DISS #D077 BR2CLm = aBR2 + CLm DCONST: A: 0.76 B: 5.0e4 CLASS: DISS #D078 BRCL2m = aBRCL + CLm DCONST: A: 0.17 B: 1.0e6 CLASS: DISS #D079 BRCL2m = aCL2 + BRm DCONST: A: 1.5e-6 B: 6.0e9 COMMENT iodine chemistry CLASS: DISS #D080 aHOI + Hp + Im = aI2 + [aH2O] DCONST: A: 1.47e12 B: 3.0 CLASS: DISS #D081 aHOI + aHOI = IO2m + Hp + Hp + Im DCONST: A: 1.25e-9 B: 2.0e10 CLASS: DISS #D082 aHIO3 = IO3m + Hp DCONST: A: 0.17 B: 5.0e10 CLASS: DISS #D083 IO2m + aHOI = IO3m + Im + Hp DCONST: A: 0.5 B: 1.2e3 CLASS: DISS #D084 aI2 + OHm = I2OHm DCONST: A: 5.00E+00 B: 2.00E+09 CLASS: DISS #D085 I2OHm = aHOI + Im DCONST: A: 8.30E+00 B: 3.00E+08 COMMENT mixed halide chemistry -- iodine, BRomine, and chlorine species CLASS: DISS #D086 aHOI + Hp + CLm = aICL DCONST: A: 1.2e4 B: 2.4e6 CLASS: DISS #D087 aHOI + Hp + BRm = aIBR DCONST: A: 5.1e6 B: 8.0e5 CLASS: DISS #D088 aICL + BRm = aIBR + CLm DCONST: A: 3.3e3 B: 5.0e10