#EQUATIONS {----NEXT KR APPROXIMATED BY ADRIAN---} {1} NO2 + hv = NO + O3 : 1.765E-2*SUN ; {2} NO + O3 = NO2 + O2 : ARR2(2.2E-12,-1430.0) ; {3} NO2 + O3 = NO3 + O2 : ARR2(1.2E-13,-2450.0) ; {4} NO + NO3 = 2NO2 : ARR2(1.7E-11,150.0) ; {----NEXT KR CORRECTED FROM LILING'S STEM----} {5} NO2 + NO3 = N2O5 : 1.45E-12 ; {----NEXT KR CORRECTED FROM LILING'S STEM----} {6} N2O5 = NO2 + NO3 : 5.00E-6 ; {7} NO2 + NO3 = NO + NO2 + O2 : ARR2(2.5E-14,-1230.0) ; {8} NO3 + hv = 0.15NO + 0.85NO2 + 0.85O3 + O2 : 3.29*RCONST(1) ; {9} NO3 + HO2 = HNO3 + O2 : 2.50E-12 ; {---- NEXT KR APPROXIMATED BY ADRIAN ----} {10} O3 + hv = 2OH : 1.5796E-7*SUN ; {----NEXT KR CORRECTED FROM LILING'S STEM----} {11} NO + OH = HONO : 7.218E-12 ; {12} HONO + hv = NO + OH : 0.205*RCONST(1) ; {----NEXT KR CORRECTED FROM LILING'S STEM----} {13} NO2 + OH = HNO3 : 1.2794E-11 ; {---- NEXT KR APPROXIMATED BY ADRIAN ----} {14} HNO3 + hv = NO2 + OH : 7.8E-7*SUN ; {15} HNO3 + OH = NO3 + H2O : ARR2(9.4E-15,778.0) ; {16} N2O5 + H2O = 2HNO3 : 1.30E-21 ; {----NEXT KR CORRECTED FROM LILING'S STEM----} {17} CO + OH = HO2 + CO2 : 1.7823E-13 ; {18} O3 + OH = HO2 + O2 : ARR2(1.6E-12,-1000.0) ; {19} NO + HO2 = NO2 + OH : ARR2(3.7E-12,240.0) ; {----NEXT KR CORRECTED FROM LILING'S STEM----} {20} NO2 + HO2 = HNO4 : 1.7851E-12 ; {----NEXT KR CORRECTED FROM LILING'S STEM----} {21} HNO4 = NO2 + HO2 : 6.8868E-6 ; {22} O3 + HO2 = OH + 2O2 : ARR2(1.4E-14,-600.0) ; {----NEXT KR CORRECTED FROM LILING'S STEM----} {23} HO2 + HO2 = H2O2 + O2 : 4.7165E-12 ; {---- NEXT KR APPROXIMATED BY ADRIAN---- } {24} H2O2 + hv = 2OH : 1.366E-5*SUN ; {25} H2O2 + OH = HO2 + H2O : ARR2(3.3E-12,-200.0) ; {26} NO2 + H2O = HONO + HNO3 - NO2 : 4.00E-24 ; {27} HNO4 + hv = NO2 + HO2 : 1E-4*RCONST(1) ; {28} HNO4 + OH = NO2 + H2O + O2 : ARR2(1.3E-12,380.0) ; {----NEXT KR CORRECTED FROM LILING'S STEM----} {29} SO2 + OH = SO4 + HO2 : 1.E-20 ; { NEXT KR APPROXIMATED BY ADRIAN } {30} HCHO + hv = 2HO2 + CO : 2.7E-5*SUN ; {---- NEXT KR APPROXIMATED BY ADRIAN ----} {31} HCHO + hv = CO + H2 : 1.1182E-4*SUN ; {32} HCHO + OH = HO2 + CO + H2O : 1.00E-11 ; {33} HCHO + HO2 = AHO2 : 1.00E-14 ; {34} AHO2 + NO = ACO2 + HO2 + NO2 : ARR2(4.2E-12,180.0) ; {35} AHO2 + HO2 = ACO2 + H2O + O2 : 2.00E-12 ; {36} 2AHO2 = ACO2 + 2HO2 + 2O2 : 1.00E-13 ; {37} ACO2 + OH = HO2 + H2O + CO2 : 3.20E-13 ; {38} NO3 + HCHO = HNO3 + HO2 +CO : 6.00E-16 ; {39} ALD2 + OH = MCO3 + H2O : ARR2(6.9E-12,250.0) ; {40} ALD2 + NO3 = HNO3 + MCO3 : 2.70E-15 ; {---- NEXT KR APPROXIMATED BY ADRIAN ----} {41} ALD2 + hv = MO2 + HO2 + CO : 4.556E-6*SUN ; {---- NEXT KR APPROXIMATED BY ADRIAN ----} {42} ALD2 + hv = CH4 + CO : 1.118E-4*SUN ; {43} MCO3 + NO2 = PAN : 4.70E-12 ; {44} PAN = MCO3 + NO2 : ARR2(2.2E16,-13435.0) ; {45} MCO3 + NO = MO2 + NO2 + CO2 : ARR2(4.2E-12,180.0) ; {46} MO2 + NO = HCHO + NO2 + HO2 : ARR2(4.2E-12,180.0); {47} CH4 + OH = MO2 + H2O : ARR2(2.4E-12,1710.0) ; {48} C2H6 + OH = ETO2 + H2O : ARR2(1.7E-11,-1232.0) ; {49} ETO2 + NO = ALD2 + HO2 + NO2 : ARR2(4.2E-12,180.0) ; {50} C3H8 + OH = R3O2 : ARR2(1.18E-11,-679.0) ; {51} R3O2 + NO = 0.03R3N2 + 0.46ALD2 + 0.97NO2 + 0.97HO2 + 0.49KET : ARR2(4.2E-12,180.0) ; {52} ALKA + OH = RAO2 : ARR2(2E-11,-500.0) ; {---- IN THE NEXT REACTION BETA 1...9 WHERE REPLACED BY NUMBERS, AS READ FROM LILING STEM CODE ----} {53} RAO2 + NO = 0.9261NO2 - 0.1892NO + 0.263RAN2 + 1.0482ALD2 + 0.3KET + 0.1879ETO2 + 0.1116MO2 + 0.28HO2 + 0.1057R3O2 + 0.06RAO2 : ARR2(4.2E-12,180.0) ; {54} ALKA + NO3 = HNO3 + RAO2 : 4.00E-17 ; {55} RAN2 + OH = RAN1 + H2O : 2.00E-12 ; {56} RAN1 + NO = 2.5NO2 - 0.5NO + 0.8HCHO + 2.1ALD2 :ARR2(4.2E-12,180.0) ; {57} MO2 + MO2 = 1.4HCHO + 0.8HO2 + O2 : ARR2(1.5E-13,220.0) ; {58} 2ETO2 = 1.6ALD2 + 1.2HO2 : 5.00E-14 ; {59} R3O2 + R3O2 = 1.9ALD2 + 0.28KET + 0.37HO2 : 5.00E-14 ; {60} HO2 + MO2 = ROOH + O2 : 3.00E-12 ; {61} HO2 + ETO2 = ROOH + O2 : 3.00E-12 ; {62} HO2 + R3O2 = ROOH + O2 : 3.00E-12 ; {63} HO2 + RAO2 = ROOH + O2 : 3.00E-12 ; {64} HO2 + MCO3 = ROOH + O2 : 3.00E-12 ; {65} KET + OH = KO2 : ARR2(1.2E-11,-890.0) ; {66} KO2 + NO = 0.05RAN2 + 0.95NO2 + 0.94ALD2 + 0.94MCO3 : ARR2(4.2E-12,180.0) ; {67} KET + hv = MCO3 + ETO2 + H2O : 2.6E-4*RCONST(1) ; {68} KET + NO3 = HNO3 + KO2 : 7.00E-16 ; {69} KO2 + HO2 = MGLY + MO2 + H2O : 3.00E-12 ; {70} ETHE + OH = EO2 : ARR2(1.66E-12,474.0) ; {71} EO2 + NO = NO2 + 2.0HCHO + HO2 : ARR2(4.2E-12,180.0) ; {72} ALKE + OH = PO2 : ARR2(4.1E-12,537.0) ; {73} PO2 + NO = NO2 + ALD2 + HCHO + HO2 : ARR2(4.2E-12,180.0) ; {74} ETHE + O3 = HCHO + 0.4CHO2 + 0.12HO2 + 0.42CO + 0.06CH4 : ARR2(1.2E-14,-2633.0) ; {75} ALKE + O3 = 0.525HCHO + 0.5ALD2 + 0.2CHO2 + 0.2CRO2 + 0.23HO2 + 0.215MO2 : ARR2(7.8E-14,-2105.0) ; {76} CHO2 + NO = HCHO + NO2 : 7.00E-12 ; {77} CHO2 + NO2 = HCHO+ NO3 : 7.00E-13 ; {78} CHO2 + H2O = ACO2 : 4.00E-18 ; {79} CRO2 + NO = ALD2 + NO2 : 7.00E-12 ; {80} CRO2 + NO2 = ALD2 + NO3 : 7.00E-13 ; {81} CRO2 + H2O = ACTA : 4.00E-18 ; {82} EO2 + EO2 = 2.4HCHO + 1.2HO2 + 0.4ALD2 : 5.00E-14 ; {83} PO2 + PO2 = 2.2ALD2 + 1.2HO2 : 5.00E-14 ; {84} HO2 + EO2 = ROOH + O2 : 3.00E-12 ; {85} HO2 + PO2 = ROOH + O2 : 3.00E-12 ; {86} SO2 + CHO2 = SO4 + HCHO : 7.00E-14 ; {87} SO2 + CRO2 = SO4 + ALD2 : 7.00E-14 ; {88} ALKE + NO3 = PRN1 : 1.26E-13 ; {89} PRN1 + NO2 = PRN2 : 6.80E-12 ; {90} PRN1 + HO2 = PRPN + O2 : 3.00E-12 ; {91} PRN1 + NO = 2NO2 + HCHO + ALD2 : ARR2(4.2E-12,180.0) ; {92} CHO2 + HCHO = OZID : 1.36E-14 ; {93} CHO2 + ALD2 = OZID : 1.36E-14 ; {94} CRO2 + HCHO = OZID : 1.36E-14 ; {95} CRO2 + ALD2 = OZID : 1.36E-14 ; {96} AROM + OH = 0.84TO2 + 0.16CRES + 0.16HO2 : 1.52E-11 ; {97} TO2 + NO = NO2 + HO2 + 0.72MGLY + 0.18GLYX + DIAL : ARR2(4.2E-12,180.0) ; {98} GLYX + hv = PROD : 8.0E-3*RCONST(1) ; {99} GLYX + OH = HO2 + 2CO + H2O : 1.15E-11 ; {100} MGLY + hv = MCO3 + HO2 + CO : 1.9E-2*RCONST(1) ; {101} MGLY + OH = MCO3 + CO + H2O : 1.73E-11 ; {---- IN THE NEXT REACTION BETA 12, 13 WHERE REPLACED BY NUMBERS AS GIVEN IN LILING'S STEM CODE ----} {102} CRES + OH = 0.83HO2 + 0.9ZO2 + 0.9TCO3 -0.9OH - 0.0315NO2 : 4.25E-11 ; {103} NO3 + CRES = HNO3 : 1.00E-11 ; {104} OH + DIAL = TCO3 : 2.80E-11 ; {105} TCO3 + NO2 = TPAN : 4.70E-12 ; {106} TPAN = TCO3 + NO2: ARR2(2.2E16,-13435.0) ; {107} TCO3 + NO = NO2 + 0.92HO2 + 0.89GLYX + 0.11MGLY + 0.05MCO3 : ARR2(4.2E-12,180.0) ; {108} ZO2 + NO = NO2 : ARR2(4.2E-12,180.0) ; {109} DIAL + hv = 0.98HO2 + 0.02MCO3 + TCO3 : 1E-2*RCONST(1) ; {110} HO2 + TO2 = ROOH + O2 : 4.00E-12 ; {111} HO2 + TCO3 = ROOH + O2 : 4.00E-12 ; {112} HO2 + ZO2 = ROOH + O2 : 1.00E-12 ; {---- HERE COMES AEROSOL PART ----} {113} AHO2 = HCHO + HO2 : 1.5*1. ; {114} ISOP + OH = RIO2 : ARR2(2.5E-11,409.0) ; {115} RIO2 + NO = 0.9NO2 + 0.45MVK + 0.45MACR + 0.9HO2 + 0.9HCHO : ARR2(4.2E-12,180.0) ; {116} RIO2 + HO2 = ROOH : 3.00E-12 ; {117} MVK + OH = VRO2 : ARR2(3.0E-12,500.0) ; {118} VRO2 + NO = 0.9NO2 + 0.6MCO3 + 0.6HAC + 0.3HO2 + 0.3HCHO + 0.3MGGY : ARR2(4.2E-12,180.0) ; {119} VRO2 + HO2 = ROOH : 3.0E-12 ; {120} OH + MACR = MAO3 : 1.02E-11 ; {121} MAO3 + NO2 = MPAN : 4.7E-12 ; {122} MPAN = MAO3 + NO2 : ARR2(2.2E+16,-13435.0) ; {123} MAO3 + NO = 3NO3 - 2NO + HO2 + MGGY : ARR2(4.2E-12,180.0) ; {124} MAO3 + HO2 = ROOH : 3.00E-12 ; {125} MACR + OH = MRO2 : ARR2(3.86E-12,500.0) ; {126} MRO2 + NO = 0.9NO2 + 0.9HO2 + 0.9HCHO + 0.9MGGY : ARR2(4.2E-12,180.0) ; {127} MRO2 + HO2 = ROOH : 3.00E-12 ; {128} HAC + OH = HACO : 1.5E-11 ; {129} HACO + NO2 = IPAN : 4.7E-12 ; {130} IPAN = HACO + NO2 : ARR2(2.2E+16,-13435.0) ; {131} HACO + NO = NO2 + HO2 + HCHO : ARR2(4.2E-12,180.0) ; {132} HACO + HO2 = ROOH : 3.00E-12 ; {133} ISOP + O3 = 0.5HCHO + 0.2MVK + 0.3MACR + 0.2CHO2 + 0.06HO2 + 0.2MVKO + 0.3MAOO : ARR2(7.0E-15,-1900.0) ; {134} MVK + O3 = 0.5HCHO + 0.2CHO2 + 0.21HO2 + 0.2MCRG + 0.15ALD2 + 0.5MGGY + 0.15MCO3 : ARR2(4.0E-15,-2000.0) ; {135} MACR + O3 = 0.65HCHO + 0.2CHO2 + 0.36HO2 + 0.15NO2 - 0.15NO + 0.5MGGY + 0.2MCRG : ARR2(4.4E-15,-2500.0) ; {136} MVKO + NO = MVK + NO2 : ARR2(4.2E-12,180.0) ; {137} MVKO + NO2 = MVK + NO3 : ARR2(4.2E-13,180.0) ; {138} MVKO + H2O = PROD : 3.4E-18 ; {139} MAOO + NO = MACR + NO2 : ARR2(4.2E-12,180.0) ; {140} MAOO + NO2 = MACR + NO3 : ARR2(4.2E-13,180.0) ; {141} MAOO + H2O = MACA : 3.4E-18 ; {142} MCRG + NO = MGGY + NO2 : ARR2(4.2E-12,180.0) ; {143} MCRG + NO2 = MGGY + NO3 : ARR2(4.2E-13,180.0) ; {144} MCRG + H2O = PYVA : 3.4E-18 ; {145} HAC + hv = HCHO + 2HO2 : 5E-4*RCONST(1) ; {146} MGGY + hv = MCO3 + HO2 : 0.15*RCONST(1) ; {147} MGGY + OH = MCO3 : 1.7E-11 ; {148} ISOP + NO3 = INO2 : ARR2(3.00E-12,-450.0) ; {149} INO2 + NO = 2NO2 + HCHO + 0.5MVK + 0.5MACR : ARR2(4.2E-12,180.0) ; {150} INO2 + NO2 = PROD : ARR2(4.2E-13,180.0) ; {151} INO2 + HO2 = PROD : 3.00E-12 ; {152} MVK + NO3 = MVN2 : 6.00E-14 ; {153} MVN2 + NO = 2NO2 + HCHO + 0.5MCO3 + 0.5MGGY + 0.5HO2 : ARR2(4.2E-12,180.0) ; {154} MVN2 + HO2 = PROD : 3.0E-12 ; {155} MACR + NO3 = MAO3 + HNO3 : 3.3E-15 ; {156} MACR + NO3 = MAN2 : 6.7E-15 ; {157} MAN2 + NO = 2NO2 + HCHO + MGGY : ARR2(4.2E-12,180.0) ; {157} MAN2 + HO2 = PROD : 3.00E-12 ; {159} HAC + NO3 = HNO3 + HACO : 5.2E-16 ; {160} MAOO + HO2 = ROOH : 3.00E-12 ; {161} MVKO + HO2 = ROOH : 3.00E-12 ; {162} MVKO + SO2 = SO4 + MVK : 7.00E-14 ; {163} MAOO + SO2 = SO4 + MACR : 7.00E-14 ; {164} MCRG + SO2 = SO4 + MVK : 7.00E-14 ; {165} MACA + OH = PROD : ARR2(1.2E-11,500.0) ; {166} PYVA + OH = PROD : 5.00E-14 ; {167} DOL6 + O3 = 0.11SUCA : 5.44E-17 ; {168} DOL7 + O3 = 0.19GLUA : 3.46E-17 ; {169} DOL8 + O3 = 0.15ADIA : 2.21E-17 ; {170} CPET + O3 = 0.39GLUA : 1.03E-15 ; {171} CHEX + O3 = 0.15ADIA : 2.16E-16 ; {172} OH + HO2 = H2O + O2 : ARR2(4.6E-11,230.0) ; {173} ROOH + hv = HCHO + OH + HO2 : 5.00E-4*RCONST(1) ; {174} ROOH + OH = 0.5MO2 + 0.5OH + 0.5HCHO : 1.00E-11; {175} DMS + OH = SO2 + MSA : 8.3E-12 ; {176} NO3 + NO3 = 2NO2 + O2 : ARR2(8.5E-13,-2450.0) ; {177} OH + PAN = PROD : ARR2(1.23E-12,-651.0) ; {178} NO3 + HO2 = 0.6OH + 0.6NO2 + 0.4HNO3 : ARR2(2.3E-12,170.0) ;