Saprc07tic ae6i v5.1 mech.def
Information is taken directly from the mech_saprc07tic_ae6i_aq.def file. Reactions updated between CMAQ v5.0.2 and v5.1 are indicated with Notes and/or a reference. If no reference is provided, see Xie et al. 2013.
- Fall-off/pressure dependent reaction rate constants ([M] equals air number density):
- For rate constants with ko, kinf, n, F values: k = [ k0[M]/(1+k0[M]/kinf)]FG, where G=1/[1+(log(k0[M]/kinf)/n)-2)]
- For rate constants with k1, k2: k = k1 + k2 [M]
- For rate constants with k0, k2, k3: k = k0 + k3[M]/(1+k3[M]/k2)
- For rate constants with k1, k2, k3: k = k1 + k2[M] + k3
- For rate constants with the form A/<PHOT>, k equals A times the photolysis rates, PHOT.
- For rate constants with the form A~<HETERO>, k equals A times the heterogeneous rate constant, HETERO.
- For rate constants with the form A*K<RCONST>, k equals A times the previously defined rate constant, RCONST.
- Units of rate constants give reactions rates in units of molecules cm-3 s-1. Note that T equals air temperature in degrees K in the below table.
Check the species table for the reactants and products used the below reactions.
Label | Reaction | Rate Const | Notes | Reference |
---|---|---|---|---|
<1> | NO2 = NO + O3P | 1.0/<NO2_06> | ||
<2> | O3P + O2 + M = O3 | 5.68e-34*(T/300)(-2.60) | ||
<3> | O3P + O3 = | 8.00e-12*exp(-2060/T) | ||
<4> | O3P + NO = NO2 | k0=9.00e-32*(T/300)(-1.50), kinf=3.00e-11, F=0.60, n=1.0 | ||
<5> | O3P + NO2 = NO | 5.50e-12*exp(188/T) | ||
<6> | O3P + NO2 = NO3 | k0=2.50e-31*(T/300)(-1.80), kinf=2.20e-11*(T/300)(-0.70), F=0.60, n=1.0 | ||
<7> | O3 + NO = NO2 | 3.00e-12*exp(-1500/T) | ||
<8> | O3 + NO2 = NO3 | 1.40e-13*exp(-2470/T) | ||
<9> | NO + NO3 = 2*NO2 | 1.80e-11*exp(110/T) | ||
<10> | NO + NO + O2 = 2*NO2 | 3.30e-39*exp(530/T) | ||
<11> | NO2 + NO3 = N2O5 | k0=3.60e-30*(T/300)(-4.10), kinf=1.90e-12*(T/300)(0.20), F=0.35, n=1.33 | ||
<12> | N2O5 = NO2 + NO3 | k0=1.30e-03*(T/300)(-3.50)*exp(-11000/T), kinf=9.70e14*(T/300)(0.10)*exp(-11080/T), F=0.35, n=1.33 | ||
<13> | N2O5 + H2O = 2*HNO3 | 1.00e-22 | ||
<14> | N2O5 + H2O + H2O = 2*HNO3 | 0.00e00 | ||
<15> | NO2 + NO3 = NO + NO2 | 4.50e-14*exp(-1260/T) | ||
<16> | NO3 = NO | 1.0/<NO3NO_06> | ||
<17> | NO3 = NO2 + O3P | 1.0/<NO3NO2_6> | ||
<18> | O3 = O1D | 1.0/<O3O1D_06> | ||
<19> | O3 = O3P | 1.0/<O3O3P_06> | ||
<20> | O1D + H2O = 2*OH | 1.63e-10*exp(60/T) | ||
<21> | O1D + M = O3P | 2.38e-11*exp(96/T) | ||
<22> | OH + NO = HONO | k0=7.00e-31*(T/300)(-2.60), kinf=3.60e-11*(T/300)(-0.10), F=0.60, n=1.0 | ||
<23> | HONO = OH + NO | 1.0/<HONO_06> | ||
<24> | OH + HONO = NO2 | 2.50e-12*exp(260/T) | ||
<25> | OH + NO2 = HNO3 | k0=3.2e-30*(T/300)(-4.50), kinf=3.0e-11, F=0.41, n=1.24 | updated in v5.1 based on IUPAC | IUPAC |
<26> | OH + NO3 = HO2 + NO2 | 2.00e-11 | ||
<27> | OH + HNO3 = NO3 | k0=2.40e-14*exp(460/T), k2=2.70e-17*exp(2199/T), k3=6.50e-34*exp(1335/T) | ||
<28> | HNO3 = OH + NO2 | 1.0/<HNO3> | ||
<29> | OH + CO = HO2 + CO2 | k1=1.44e-13*exp(-0/T), k2=3.43e-33*exp(-0/T) | ||
<30> | OH + O3 = HO2 | 1.70e-12*exp(-940/T) | ||
<31> | HO2 + NO = OH + NO2 | 3.60e-12*exp(270/T) | ||
<32> | HO2 + NO2 = HNO4 | k0=2.00e-31*(T/300)(-3.40), kinf=2.90e-12*(T/300)(-1.10), F=0.60, n=1.0 | ||
<33> | HNO4 = HO2 + NO2 | k0=3.72e-05*(T/300)(-2.40)*exp(-10650/T), kinf=5.42e15*(T/300)(-2.30)*exp(-11170/T), F=0.60, n=1.0 | ||
<34> | HNO4 = 0.61*HO2 + 0.61*NO2 + 0.39*OH + 0.39*NO3 | 1.0/<HNO4_06> | ||
<35> | HNO4 + OH = NO2 | 1.30e-12*exp(380/T) | ||
<36> | HO2 + O3 = OH | 2.03e-16*(T/300)(4.57)*exp(693/T) | ||
<37> | HO2 + HO2 = HO2H | k1=2.20e-13*exp(600/T), k2=1.90e-33*exp(980/T) | ||
<38> | HO2 + HO2 + H2O = HO2H | k1=3.08e-34*exp(2800/T), k2=2.66e-54*exp(3180/T) | ||
<39> | NO3 + HO2 = 0.8*OH + 0.8*NO2 + 0.2*HNO3 | 4.00e-12 | ||
<40> | NO3 + NO3 = 2*NO2 | 8.50e-13*exp(-2450/T) | ||
<41> | HO2H = 2*OH | 1.0/<H2O2> | ||
<42> | HO2H + OH = HO2 | 1.80e-12 | ||
<43> | OH + HO2 = | 4.80e-11*exp(250/T) | ||
<44> | OH + SO2 = HO2 + SULF + SULRXN | k0=3.30e-31*(T/300)(-4.30), kinf=1.60e-12, F=0.60, n=1.0 | ||
<45> | OH + H2 = HO2 | 7.70e-12*exp(-2100/T) | ||
<BR01> | MEO2 + NO = NO2 + HCHO + HO2 | 2.30e-12*exp(360/T) | ||
<BR02> | MEO2 + HO2 = COOH | 3.46e-13*(T/300)(0.36)*exp(780/T) | ||
<BR03> | MEO2 + HO2 = HCHO | 3.34e-14*(T/300)(-3.53)*exp(780/T) | ||
<BR04> | MEO2 + NO3 = HCHO + HO2 + NO2 | 1.30e-12 | ||
<BR05> | MEO2 + MEO2 = MEOH + HCHO | 6.39e-14*(T/300)(-1.80)*exp(365/T) | ||
<BR06> | MEO2 + MEO2 = 2*HCHO + 2*HO2 | 7.40e-13*exp(-520/T) | ||
<BR07> | RO2C + NO = NO2 | 2.60e-12*exp(380/T) | ||
<BR08> | RO2C + HO2 = | 3.80e-13*exp(900/T) | ||
<BR09> | RO2C + NO3 = NO2 | 2.30e-12 | ||
<BR10> | RO2C + MEO2 = 0.5*HO2 + 0.75*HCHO + 0.25*MEOH | 2.00e-13 | ||
<BR11> | RO2C + RO2C = | 3.50e-14 | ||
<BR12> | RO2XC + NO = XN | 1.0*K<BR07> | ||
<BR13> | RO2XC + HO2 = | 1.0*K<BR08> | ||
<BR14> | RO2XC + NO3 = NO2 | 1.0*K<BR09> | ||
<BR15> | RO2XC + MEO2 = 0.5*HO2 + 0.75*HCHO + 0.25*MEOH | 1.0*K<BR10> | ||
<BR16> | RO2XC + RO2C = | 1.0*K<BR11> | ||
<BR17> | RO2XC + RO2XC = | 1.0*K<BR11> | ||
<BR18> | MECO3 + NO2 = PAN | k0=2.70e-28*(T/300)(-7.10), kinf=1.21e-11*(T/300)(-0.90), F=0.30, n=1.41 | ||
<BR19> | PAN = MECO3 + NO2 | k0=4.90e-03*exp(-12100/T), kinf=4.00e16*exp(-13600/T), F=0.30, n=1.41 | ||
<BR20> | PAN = 0.6*MECO3 + 0.6*NO2 + 0.4*MEO2 + 0.4*CO2 + 0.4*NO3 | 1.0/<PAN> | ||
<BR21> | MECO3 + NO = MEO2 + CO2 + NO2 | 7.50e-12*exp(290/T) | ||
<BR22> | MECO3 + HO2 = 0.105*CCOOOH + 0.045*CCOOH + 0.15*O3 + 0.44*OH + 0.44*MEO2 + 0.44*CO2 | 5.20e-13*exp(980/T) | Revised acyl peroxy reaction with HO2 but splitting organic into 2 parts | IUPAC 2009 |
<BR23> | MECO3 + NO3 = MEO2 + CO2 + NO2 | 1.0*K<BR09> | ||
<BR24> | MECO3 + MEO2 = 0.1*CCOOH + 0.1*HCHO + 0.9*HCHO + 0.9*HO2 + 0.9*MEO2 + 0.9*CO2 | 2.00e-12*exp(500/T) | ||
<BR25> | MECO3 + RO2C = MEO2 + CO2 | 4.40e-13*exp(1070/T) | ||
<BR26> | MECO3 + RO2XC = MEO2 + CO2 | 1.0*K<BR25> | ||
<BR27> | MECO3 + MECO3 = 2*MEO2 + 2*CO2 | 2.90e-12*exp(500/T) | ||
<BR28> | RCO3 + NO2 = PAN2 | 1.21e-11*(T/300)(-1.07)*exp(-0/T) | ||
<BR29> | PAN2 = RCO3 + NO2 | 8.30e16*exp(-13940/T) | ||
<BR30> | PAN2 = 0.6*RCO3 + 0.6*NO2 + 0.4*RO2C + 0.4*xHO2 + 0.4*yROOH + 0.4*xCCHO + 0.4*CO2 + 0.4*NO3 | 1.0/<PAN> | ||
<BR31> | RCO3 + NO = NO2 + RO2C + xHO2 + yROOH + xCCHO + CO2 | 6.70e-12*exp(340/T) | ||
<BR32> | RCO3 + HO2 = 0.3075*RCOOOH + .1025*RCOOH + 0.15*O3 + 0.44*OH + 0.44*xHO2 + 0.44*RO2C + 0.44*CO2 + 0.44*xCCHO + 0.44*yROOH | 1.0*K<BR22> | revised | IUPAC 2009 |
<BR33> | RCO3 + NO3 = NO2 + RO2C + xHO2 + yROOH + xCCHO + CO2 | 1.0*K<BR09> | ||
<BR34> | RCO3 + MEO2 = HCHO + HO2 + RO2C + xHO2 + xCCHO + yROOH + CO2 | 1.0*K<BR24> | ||
<BR35> | RCO3 + RO2C = RO2C + xHO2 + xCCHO + yROOH + CO2 | 1.0*K<BR25> | ||
<BR36> | RCO3 + RO2XC = RO2C + xHO2 + xCCHO + yROOH + CO2 | 1.0*K<BR25> | ||
<BR37> | RCO3 + MECO3 = 2*CO2 + MEO2 + RO2C + xHO2 + yROOH + xCCHO | 1.0*K<BR27> | ||
<BR38> | RCO3 + RCO3 = 2*RO2C + 2*xHO2 + 2*xCCHO + 2*yROOH + 2*CO2 | 1.0*K<BR27> | ||
<BR39> | BZCO3 + NO2 = PBZN | 1.37e-11 | ||
<BR40> | PBZN = BZCO3 + NO2 | 7.90e16*exp(-14000/T) | ||
<BR41> | PBZN = 0.6*BZCO3 + 0.6*NO2 + 0.4*CO2 + 0.4*BZO + 0.4*RO2C + 0.4*NO3 | 1.0/<PAN> | ||
<BR42> | BZCO3 + NO = NO2 + CO2 + BZO + RO2C | 1.0*K<BR31> | ||
<BR43> | BZCO3 + HO2 = .3075*RCOOOH + 0.1025*RCOOH + 0.15*O3 + 0.44*OH + 0.44*BZO + 0.44*RO2C + 0.44*CO2 | 1.0*K<BR22> | revised | IUPAC 2009 |
<BR44> | BZCO3 + NO3 = NO2 + CO2 + BZO + RO2C | 1.0*K<BR09> | ||
<BR45> | BZCO3 + MEO2 = HCHO + HO2 + RO2C + BZO + CO2 | 1.0*K<BR24> | ||
<BR46> | BZCO3 + RO2C = RO2C + BZO + CO2 | 1.0*K<BR25> | ||
<BR47> | BZCO3 + RO2XC = RO2C + BZO + CO2 | 1.0*K<BR25> | ||
<BR48> | BZCO3 + MECO3 = 2*CO2 + MEO2 + BZO + RO2C | 1.0*K<BR27> | ||
<BR49> | BZCO3 + RCO3 = 2*CO2 + RO2C + xHO2 + yROOH + xCCHO + BZO + RO2C | 1.0*K<BR27> | ||
<BR50> | BZCO3 + BZCO3 = 2*BZO + 2*RO2C + 2*CO2 | 1.0*K<BR27> | ||
<BR51> | MACO3 + NO2 = MAPAN | 1.0*K<BR28> | ||
<BR52> | MAPAN = MACO3 + NO2 | 1.60e16*exp(-13486/T) | ||
<BR53> | MAPAN = 0.6*MACO3 + 0.6*NO2 + 0.4*CO2 + 0.4*HCHO + 0.4*MECO3 + 0.4*NO3 | 1.0/<PAN> | ||
<BR64> | TBUO + NO2 = RNO3-2*XC | 2.40e-11 | ||
<BR65> | TBUO = ACETONE + MEO2 | 7.50e14*exp(-8152/T) | ||
<BR66> | BZO + NO2 = NPHE | 2.30e-11*exp(150/T) | ||
<BR67> | BZO + HO2 = CRES-1*XC | 1.0*K<BR08> | ||
<BR68> | BZO = CRES + RO2C + xHO2-1*XC | 1.00e-03 | ||
<R019> | xHO2 + NO = NO + HO2 | 1.0*K<BR07> | ||
<R020> | xHO2 + HO2 = HO2 | 1.0*K<BR08> | ||
<R021> | xHO2 + NO3 = NO3 + HO2 | 1.0*K<BR09> | ||
<R022> | xHO2 + MEO2 = MEO2 + 0.5*HO2 | 1.0*K<BR10> | ||
<R023> | xHO2 + RO2C = RO2C + 0.5*HO2 | 1.0*K<BR11> | ||
<R024> | xHO2 + RO2XC = RO2XC + 0.5*HO2 | 1.0*K<BR11> | ||
<R025> | xHO2 + MECO3 = MECO3 + HO2 | 1.0*K<BR25> | ||
<R026> | xHO2 + RCO3 = RCO3 + HO2 | 1.0*K<BR25> | ||
<R027> | xHO2 + BZCO3 = BZCO3 + HO2 | 1.0*K<BR25> | ||
<R028> | xHO2 + MACO3 = MACO3 + HO2 | 1.0*K<BR25> | ||
<R029> | xOH + NO = NO + OH | 1.0*K<BR07> | ||
<R030> | xOH + HO2 = HO2 | 1.0*K<BR08> | ||
<R031> | xOH + NO3 = NO3 + OH | 1.0*K<BR09> | ||
<R032> | xOH + MEO2 = MEO2 + 0.5*OH | 1.0*K<BR10> | ||
<R033> | xOH + RO2C = RO2C + 0.5*OH | 1.0*K<BR11> | ||
<R034> | xOH + RO2XC = RO2XC + 0.5*OH | 1.0*K<BR11> | ||
<R035> | xOH + MECO3 = MECO3 + OH | 1.0*K<BR25> | ||
<R036> | xOH + RCO3 = RCO3 + OH | 1.0*K<BR25> | ||
<R037> | xOH + BZCO3 = BZCO3 + OH | 1.0*K<BR25> | ||
<R038> | xOH + MACO3 = MACO3 + OH | 1.0*K<BR25> | ||
<R039> | xNO2 + NO = NO + NO2 | 1.0*K<BR07> | ||
<R040> | xNO2 + HO2 = HO2 + XN | 1.0*K<BR08> | ||
<R041> | xNO2 + NO3 = NO3 + NO2 | 1.0*K<BR09> | ||
<R042> | xNO2 + MEO2 = MEO2 + 0.5*NO2 + 0.5*XN | 1.0*K<BR10> | ||
<R043> | xNO2 + RO2C = RO2C + 0.5*NO2 + 0.5*XN | 1.0*K<BR11> | ||
<R044> | xNO2 + RO2XC = RO2XC + 0.5*NO2 + 0.5*XN | 1.0*K<BR11> | ||
<R045> | xNO2 + MECO3 = MECO3 + NO2 | 1.0*K<BR25> | ||
<R046> | xNO2 + RCO3 = RCO3 + NO2 | 1.0*K<BR25> | ||
<R047> | xNO2 + BZCO3 = BZCO3 + NO2 | 1.0*K<BR25> | ||
<R048> | xNO2 + MACO3 = MACO3 + NO2 | 1.0*K<BR25> | ||
<R049> | xMEO2 + NO = NO + MEO2 | 1.0*K<BR07> | ||
<R050> | xMEO2 + HO2 = HO2 + XC | 1.0*K<BR08> | ||
<R051> | xMEO2 + NO3 = NO3 + MEO2 | 1.0*K<BR09> | ||
<R052> | xMEO2 + MEO2 = MEO2 + 0.5*MEO2 + 0.5*XC | 1.0*K<BR10> | ||
<R053> | xMEO2 + RO2C = RO2C + 0.5*MEO2 + 0.5*XC | 1.0*K<BR11> | ||
<R054> | xMEO2 + RO2XC = RO2XC + 0.5*MEO2 + 0.5*XC | 1.0*K<BR11> | ||
<R055> | xMEO2 + MECO3 = MECO3 + MEO2 | 1.0*K<BR25> | ||
<R056> | xMEO2 + RCO3 = RCO3 + MEO2 | 1.0*K<BR25> | ||
<R057> | xMEO2 + BZCO3 = BZCO3 + MEO2 | 1.0*K<BR25> | ||
<R058> | xMEO2 + MACO3 = MACO3 + MEO2 | 1.0*K<BR25> | ||
<R059> | xMECO3 + NO = NO + MECO3 | 1.0*K<BR07> | ||
<R060> | xMECO3 + HO2 = HO2 + 2*XC | 1.0*K<BR08> | ||
<R061> | xMECO3 + NO3 = NO3 + MECO3 | 1.0*K<BR09> | ||
<R062> | xMECO3 + MEO2 = MEO2 + 0.5*MECO3 + XC | 1.0*K<BR10> | ||
<R063> | xMECO3 + RO2C = RO2C + 0.5*MECO3 + XC | 1.0*K<BR11> | ||
<R064> | xMECO3 + RO2XC = RO2XC + 0.5*MECO3 + XC | 1.0*K<BR11> | ||
<R065> | xMECO3 + MECO3 = MECO3 + MECO3 | 1.0*K<BR25> | ||
<R066> | xMECO3 + RCO3 = RCO3 + MECO3 | 1.0*K<BR25> | ||
<R067> | xMECO3 + BZCO3 = BZCO3 + MECO3 | 1.0*K<BR25> | ||
<R068> | xMECO3 + MACO3 = MACO3 + MECO3 | 1.0*K<BR25> | ||
<R069> | xRCO3 + NO = NO + RCO3 | 1.0*K<BR07> | ||
<R070> | xRCO3 + HO2 = HO2 + 3*XC | 1.0*K<BR08> | ||
<R071> | xRCO3 + NO3 = NO3 + RCO3 | 1.0*K<BR09> | ||
<R072> | xRCO3 + MEO2 = MEO2 + 0.5*RCO3 + 1.5*XC | 1.0*K<BR10> | ||
<R073> | xRCO3 + RO2C = RO2C + 0.5*RCO3 + 1.5*XC | 1.0*K<BR11> | ||
<R074> | xRCO3 + RO2XC = RO2XC + 0.5*RCO3 + 1.5*XC | 1.0*K<BR11> | ||
<R075> | xRCO3 + MECO3 = MECO3 + RCO3 | 1.0*K<BR25> | ||
<R076> | xRCO3 + RCO3 = RCO3 + RCO3 | 1.0*K<BR25> | ||
<R077> | xRCO3 + BZCO3 = BZCO3 + RCO3 | 1.0*K<BR25> | ||
<R078> | xRCO3 + MACO3 = MACO3 + RCO3 | 1.0*K<BR25> | ||
<R079> | xMACO3 + NO = NO + MACO3 | 1.0*K<BR07> | ||
<R080> | xMACO3 + HO2 = HO2 + 4*XC | 1.0*K<BR08> | ||
<R081> | xMACO3 + NO3 = NO3 + MACO3 | 1.0*K<BR09> | ||
<R082> | xMACO3 + MEO2 = MEO2 + 0.5*MACO3 + 2*XC | 1.0*K<BR10> | ||
<R083> | xMACO3 + RO2C = RO2C + 0.5*MACO3 + 2*XC | 1.0*K<BR11> | ||
<R084> | xMACO3 + RO2XC = RO2XC + 0.5*MACO3 + 2*XC | 1.0*K<BR11> | ||
<R085> | xMACO3 + MECO3 = MECO3 + MACO3 | 1.0*K<BR25> | ||
<R086> | xMACO3 + RCO3 = RCO3 + MACO3 | 1.0*K<BR25> | ||
<R087> | xMACO3 + BZCO3 = BZCO3 + MACO3 | 1.0*K<BR25> | ||
<R088> | xMACO3 + MACO3 = MACO3 + MACO3 | 1.0*K<BR25> | ||
<R089> | xTBUO + NO = NO + TBUO | 1.0*K<BR07> | ||
<R090> | xTBUO + HO2 = HO2 + 4*XC | 1.0*K<BR08> | ||
<R091> | xTBUO + NO3 = NO3 + TBUO | 1.0*K<BR09> | ||
<R092> | xTBUO + MEO2 = MEO2 + 0.5*TBUO + 2*XC | 1.0*K<BR10> | ||
<R093> | xTBUO + RO2C = RO2C + 0.5*TBUO + 2*XC | 1.0*K<BR11> | ||
<R094> | xTBUO + RO2XC = RO2XC + 0.5*TBUO + 2*XC | 1.0*K<BR11> | ||
<R095> | xTBUO + MECO3 = MECO3 + TBUO | 1.0*K<BR25> | ||
<R096> | xTBUO + RCO3 = RCO3 + TBUO | 1.0*K<BR25> | ||
<R097> | xTBUO + BZCO3 = BZCO3 + TBUO | 1.0*K<BR25> | ||
<R098> | xTBUO + MACO3 = MACO3 + TBUO | 1.0*K<BR25> | ||
<R099> | xCO + NO = NO + CO | 1.0*K<BR07> | ||
<R100> | xCO + HO2 = HO2 + XC | 1.0*K<BR08> | ||
<R101> | xCO + NO3 = NO3 + CO | 1.0*K<BR09> | ||
<R102> | xCO + MEO2 = MEO2 + 0.5*CO + 0.5*XC | 1.0*K<BR10> | ||
<R103> | xCO + RO2C = RO2C + 0.5*CO + 0.5*XC | 1.0*K<BR11> | ||
<R104> | xCO + RO2XC = RO2XC + 0.5*CO + 0.5*XC | 1.0*K<BR11> | ||
<R105> | xCO + MECO3 = MECO3 + CO | 1.0*K<BR25> | ||
<R106> | xCO + RCO3 = RCO3 + CO | 1.0*K<BR25> | ||
<R107> | xCO + BZCO3 = BZCO3 + CO | 1.0*K<BR25> | ||
<R108> | xCO + MACO3 = MACO3 + CO | 1.0*K<BR25> | ||
<BP01> | HCHO = 2*HO2 + CO | 1.0/<HCHOR_06> | ||
<BP02> | HCHO = CO | 1.0/<HCHOM_06> | ||
<BP03> | HCHO + OH = HO2 + CO | 5.40e-12*exp(135/T) | ||
<BP07> | HCHO + NO3 = HNO3 + HO2 + CO | 2.00e-12*exp(-2431/T) | ||
<BP08> | CCHO + OH = MECO3 | 4.40e-12*exp(365/T) | ||
<BP09> | CCHO = CO + HO2 + MEO2 | 1.0/<CCHO_R> | ||
<BP10> | CCHO + NO3 = HNO3 + MECO3 | 1.40e-12*exp(-1860/T) | ||
<BP11> | RCHO + OH = 0.965*RCO3 + 0.035*RO2C + 0.035*xHO2 + 0.035*xCO + 0.035*xCCHO + 0.035*yROOH | 5.10e-12*exp(405/T) | ||
<BP12> | RCHO = RO2C + xHO2 + yROOH + xCCHO + CO + HO2 | 1.0/<C2CHO> | ||
<BP13> | RCHO + NO3 = HNO3 + RCO3 | 1.40e-12*exp(-1601/T) | ||
<BP14> | ACETONE + OH = RO2C + xMECO3 + xHCHO + yROOH | 4.56e-14*(T/300)(3.65)*exp(429/T) | ||
<BP15> | ACETONE = 0.62*MECO3 + 1.38*MEO2 + 0.38*CO | 5.00e-1/<ACET_06> | ||
<BP16> | MEK + OH = 0.967*RO2C + 0.039*RO2XC + 0.039*zRNO3 + 0.376*xHO2 + 0.51*xMECO3 + 0.074*xRCO3 + 0.088*xHCHO + 0.504*xCCHO + 0.376*xRCHO + yROOH + 0.3*XC | 1.30e-12*(T/300)(2.00)*exp(-25/T) | ||
<BP17> | MEK = MECO3 + RO2C + xHO2 + xCCHO + yROOH | 1.75e-1/<MEK_06> | ||
<BP18> | MEOH + OH = HCHO + HO2 | 2.85e-12*exp(-345/T) | ||
<BP19> | HCOOH + OH = HO2 + CO2 | 4.50e-13 | ||
<BP20> | CCOOH + OH = 0.509*MEO2 + 0.491*RO2C + 0.509*CO2 + 0.491*xHO2 + 0.491*xMGLY + 0.491*yROOH-0.491*XC | 4.20e-14*exp(855/T) | ||
<BP21> | RCOOH + OH = RO2C + xHO2 + 0.143*CO2 + 0.142*xCCHO + 0.4*xRCHO + 0.457*xBACL + yROOH-0.455*XC | 1.20e-12 | ||
<BP22> | COOH + OH = 0.3*HCHO + 0.3*OH + 0.7*MEO2 | 3.80e-12*exp(200/T) | ||
<BP23> | COOH = HCHO + HO2 + OH | 1.0/<COOH> | ||
<BP24> | ROOH + OH = 0.744*OH + 0.251*RO2C + 0.004*RO2XC + 0.004*zRNO3 + 0.744*RCHO + 0.239*xHO2 + 0.012*xOH + 0.012*xHCHO + 0.012*xCCHO + 0.205*xRCHO + 0.034*xPROD2 + 0.256*yROOH-0.115*XC | 2.50e-11 | ||
<BP25> | ROOH = RCHO + HO2 + OH | 1.0/<COOH> | ||
<BP26> | R6OOH + OH = 0.84*OH + 0.222*RO2C + 0.029*RO2XC + 0.029*zRNO3 + 0.84*PRD2 + 0.09*xHO2 + 0.041*xOH + 0.02*xCCHO + 0.075*xRCHO + 0.084*xPROD2 + 0.16*yROOH + 0.02*XC | 5.60e-11 | ||
<BP27> | R6OOH = OH + 0.142*HO2 + 0.782*RO2C + 0.077*RO2XC + 0.077*zRNO3 + 0.085*RCHO + 0.142*PRD2 + 0.782*xHO2 + 0.026*xCCHO + 0.058*xRCHO + 0.698*xPROD2 + 0.858*yR6OOH + 0.017*XC | 1.0/<COOH> | ||
<BP28> | RAOOH + OH = 0.139*OH + 0.148*HO2 + 0.589*RO2C + 0.124*RO2XC + 0.124*zRNO3 + 0.074*PRD2 + 0.147*MGLY + 0.139*IPRD + 0.565*xHO2 + 0.024*xOH + 0.448*xRCHO + 0.026*xGLY + 0.03*xMEK + 0.252*xMGLY + 0.073*xAFG1 + 0.073*xAFG2 + 0.713*yR6OOH + 2.674*XC | 1.41e-10 | ||
<BP29> | RAOOH = OH + HO2 + 0.5*GLY + 0.5*MGLY + 0.5*AFG1 + 0.5*AFG2 + 0.5*XC | 1.0/<COOH> | ||
<BP30> | GLY = 2*CO + 2*HO2 | 1.0/<GLY_07R> | ||
<BP31> | GLY = HCHO + CO | 1.0/<GLY_07M> | ||
<BP32> | GLY + OH = 0.70*HO2 + 1.40*CO + 0.3*HCOCO3 | 3.10e-12*exp(342.2/T) | revised in v5.1 | IUPAC (2008) |
<BP33> | GLY + NO3 = HNO3 + 0.70*HO2 + 1.40*CO + 0.3*HCOCO3 | 2.80e-12*exp(-2390/T) | evised in v5.1 | IUPAC (2008) |
<BP34> | MGLY = HO2 + CO + MECO3 | 1.0/<MGLY_06> | ||
<BP35> | MGLY + OH = CO + MECO3 | 1.50e-11 | ||
<BP36> | MGLY + NO3 = HNO3 + CO + MECO3 | 1.40e-12*exp(-1895/T) | ||
<BP37> | BACL = 2*MECO3 | 1.0/<BACL_07> | ||
<BP38> | CRES + OH = 0.2*BZO + 0.8*RO2C + 0.8*xHO2 + 0.8*yR6OOH + 0.25*xMGLY + 5.05*XC | 1.70e-12*exp(950/T) | ||
<BP39> | CRES + NO3 = HNO3 + BZO + XC | 1.40e-11 | ||
<BP40> | NPHE + OH = BZO + XN | 3.50e-12 | ||
<BP41> | NPHE = HONO + 6*XC | 1.50e-3/<NO2_06> | ||
<BP42> | NPHE = 6*XC + XN | 1.50e-2/<NO2_06> | ||
<BP43> | BALD + OH = BZCO3 | 1.20e-11 | ||
<BP44> | BALD = 7*XC | 6.00e-2/<BALD_06> | ||
<BP45> | BALD + NO3 = HNO3 + BZCO3 | 1.34e-12*exp(-1860/T) | ||
<BP46> | AFG1 + OH = 0.217*MACO3 + 0.723*RO2C + 0.06*RO2XC + 0.06*zRNO3 + 0.521*xHO2 + 0.201*xMECO3 + 0.334*xCO + 0.407*xRCHO + 0.129*xMEK + 0.107*xGLY + 0.267*xMGLY + 0.783*yR6OOH + 0.284*XC | 7.40e-11 | ||
<BP47> | AFG1 + O3 = 0.826*OH + 0.522*HO2 + 0.652*RO2C + 0.522*CO + 0.174*CO2 + 0.432*GLY + 0.568*MGLY + 0.652*xRCO3 + 0.652*xHCHO + 0.652*yR6OOH-0.872*XC | 9.66e-18 | ||
<BP48> | AFG1 = 1.023*HO2 + 0.173*MEO2 + 0.305*MECO3 + 0.5*MACO3 + 0.695*CO + 0.195*GLY + 0.305*MGLY + 0.217*XC | 1.0/<AFG1> | ||
<BP49> | AFG2 + OH = 0.217*MACO3 + 0.723*RO2C + 0.06*RO2XC + 0.06*zRNO3 + 0.521*xHO2 + 0.201*xMECO3 + 0.334*xCO + 0.407*xRCHO + 0.129*xMEK + 0.107*xGLY + 0.267*xMGLY + 0.783*yR6OOH + 0.284*XC | 7.40e-11 | ||
<BP50> | AFG2 + O3 = 0.826*OH + 0.522*HO2 + 0.652*RO2C + 0.522*CO + 0.174*CO2 + 0.432*GLY + 0.568*MGLY + 0.652*xRCO3 + 0.652*xHCHO + 0.652*yR6OOH-0.872*XC | 9.66e-18 | ||
<BP51> | AFG2 = PRD2-1*XC | 1.0/<AFG1> | ||
<BP52> | AFG3 + OH = 0.206*MACO3 + 0.733*RO2C + 0.117*RO2XC + 0.117*zRNO3 + 0.561*xHO2 + 0.117*xMECO3 + 0.114*xCO + 0.274*xGLY + 0.153*xMGLY + 0.019*xBACL + 0.195*xAFG1 + 0.195*xAFG2 + 0.231*xIPRD + 0.794*yR6OOH + 0.938*XC | 9.35e-11 | ||
<BP53> | AFG3 + O3 = 0.471*OH + 0.554*HO2 + 0.013*MECO3 + 0.258*RO2C + 0.007*RO2XC + 0.007*zRNO3 + 0.58*CO + 0.19*CO2 + 0.366*GLY + 0.184*MGLY + 0.35*AFG1 + 0.35*AFG2 + 0.139*AFG3 + 0.003*MACR + 0.004*MVK + 0.003*IPRD + 0.095*xHO2 + 0.163*xRCO3 + 0.163*xHCHO + 0.095*xMGLY + 0.264*yR6OOH-0.575*XC | 1.43e-17 | ||
<BP55> | MACR + O3 = 0.208*OH + 0.108*HO2 + 0.1*RO2C + 0.45*CO + 0.117*CO2 + 0.1*HCHO + 0.9*MGLY + 0.333*HCOOH + 0.1*xRCO3 + 0.1*xHCHO + 0.1*yROOH-0.1*XC | 1.40e-15*exp(-2100/T) | ||
<BP57> | MACR + O3P = RCHO + XC | 6.34e-12 | ||
<BP60> | MVK + O3 = 0.164*OH + 0.064*HO2 + 0.05*RO2C + 0.05*xHO2 + 0.475*CO + 0.124*CO2 + 0.05*HCHO + 0.95*MGLY + 0.351*HCOOH + 0.05*xRCO3 + 0.05*xHCHO + 0.05*yROOH-0.05*XC | 8.50e-16*exp(-1520/T) | ||
<BP62> | MVK + O3P = 0.45*RCHO + 0.55*MEK + 0.45*XC | 4.32e-12 | ||
<BP63> | MVK = 0.4*MEO2 + 0.6*CO + 0.6*PRD2 + 0.4*MACO3-2.2*XC | 1.0/<MVK_06> | ||
<BP64> | IPRD + OH = 0.289*MACO3 + 0.67*RO2C + 0.67*xHO2 + 0.041*RO2XC + 0.041*zRNO3 + 0.336*xCO + 0.055*xHCHO + 0.129*xHOCCHO + 0.013*xRCHO + 0.15*xMEK + 0.332*xPROD2 + 0.15*xGLY + 0.174*xMGLY + 0.711*yR6OOH-0.504*XC | 6.19e-11 | ||
<BP65> | IPRD + O3 = 0.285*OH + 0.4*HO2 + 0.048*RO2C + 0.048*xRCO3 + 0.498*CO + 0.14*CO2 + 0.124*HCHO + 0.21*MEK + 0.023*GLY + 0.742*MGLY + 0.1*HCOOH + 0.372*RCOOH + 0.047*xHOCCHO + 0.001*xHCHO + 0.048*yR6OOH-0.329*XC | 4.18e-18 | ||
<BP66> | IPRD + NO3 = 0.15*MACO3 + 0.15*HNO3 + 0.799*RO2C + 0.799*xHO2 + 0.051*RO2XC + 0.051*zRNO3 + 0.572*xCO + 0.227*xHCHO + 0.218*xRCHO + 0.008*xMGLY + 0.572*xRNO3 + 0.85*yR6OOH + 0.278*XN-0.815*XC | 1.00e-13 | ||
<BP67> | IPRD = 1.233*HO2 + 0.467*MECO3 + 0.3*RCO3 + 1.233*CO + 0.3*HCHO + 0.467*HOCCHO + 0.233*MEK-0.233*XC | 1.0/<MACR_06> | ||
<BP68> | PRD2 + OH = 0.472*HO2 + 0.379*xHO2 + 0.029*xMECO3 + 0.049*xRCO3 + 0.473*RO2C + 0.071*RO2XC + 0.071*zRNO3 + 0.002*HCHO + 0.211*xHCHO + 0.001*CCHO + 0.083*xCCHO + 0.143*RCHO + 0.402*xRCHO + 0.115*xMEK + 0.329*PRD2 + 0.007*xPROD2 + 0.528*yR6OOH + 0.877*XC | 1.55e-11 | ||
<BP69> | PRD2 = 0.913*xHO2 + 0.4*MECO3 + 0.6*RCO3 + 1.59*RO2C + 0.087*RO2XC + 0.087*zRNO3 + 0.303*xHCHO + 0.163*xCCHO + 0.78*xRCHO + yR6OOH-0.091*XC | 4.86e-3/<MEK_06> | ||
<BP70> | RNO3 + OH = 0.189*HO2 + 0.305*xHO2 + 0.019*NO2 + 0.313*xNO2 + 0.976*RO2C + 0.175*RO2XC + 0.175*zRNO3 + 0.011*xHCHO + 0.429*xCCHO + 0.001*RCHO + 0.036*xRCHO + 0.004*xACETONE + 0.01*MEK + 0.17*xMEK + 0.008*PRD2 + 0.031*xPROD2 + 0.189*RNO3 + 0.305*xRNO3 + 0.157*yROOH + 0.636*yR6OOH + 0.174*XN + 0.04*XC | 7.20e-12 | ||
<BP71> | RNO3 = 0.344*HO2 + 0.554*xHO2 + NO2 + 0.721*RO2C + 0.102*RO2XC + 0.102*zRNO3 + 0.074*HCHO + 0.061*xHCHO + 0.214*CCHO + 0.23*xCCHO + 0.074*RCHO + 0.063*xRCHO + 0.008*xACETONE + 0.124*MEK + 0.083*xMEK + 0.19*PRD2 + 0.261*xPROD2 + 0.066*yROOH + 0.591*yR6OOH + 0.396*XC | 1.0/<IC3ONO2> | ||
<BP73> | HOCCHO = CO + 2*HO2 + HCHO | 1.0/<HOCCHO_IUPAC> | ||
<BP74> | HOCCHO + NO3 = HNO3 + MECO3 | 1.0*K<BP10> | ||
<BP75> | ACROLEIN + OH = 0.25*xHO2 + 0.75*MACO3 + 0.25*RO2C + 0.167*xCO + 0.083*xHCHO + 0.167*xCCHO + 0.083*xGLY + 0.25*yROOH-0.75*XC | 1.99e-11 | ||
<BP76> | ACROLEIN + O3 = 0.83*HO2 + 0.33*OH + 1.005*CO + 0.31*CO2 + 0.5*HCHO + 0.185*HCOOH + 0.5*GLY | 1.40e-15*exp(-2528/T) | ||
<BP77> | ACROLEIN + NO3 = 0.031*xHO2 + 0.967*MACO3 + 0.031*RO2C + 0.002*RO2XC + 0.002*zRNO3 + 0.967*HNO3 + 0.031*xCO + 0.031*xRNO3 + 0.033*yROOH + 0.002*XN-1.097*XC | 1.18e-15 | ||
<BP78> | ACROLEIN + O3P = RCHO | 2.37e-12 | ||
<BP79> | ACROLEIN = 1.066*HO2 + 0.178*OH + 0.234*MEO2 + 0.33*MACO3 + 1.188*CO + 0.102*CO2 + 0.34*HCHO + 0.05*CCOOH-0.284*XC | 1.0/<ACRO_09> | ||
<BP80> | CCOOOH + OH = 0.98*MECO3 + 0.02*RO2C + 0.02*CO2 + 0.02*xOH + 0.02*xHCHO + 0.02*yROOH | 5.28e-12 | ||
<BP81> | CCOOOH = MEO2 + CO2 + OH | 1.0/<PAA> | ||
<BP82> | RCOOOH + OH = 0.806*RCO3 + 0.194*RO2C + 0.194*yROOH + 0.11*CO2 + 0.11*xOH + 0.11*xCCHO + 0.084*xHO2 + 0.084*xRCHO | 6.42e-12 | ||
<BP83> | RCOOOH = xHO2 + xCCHO + yROOH + CO2 + OH | 1.0/<PAA> | ||
<BP84> | HCOCO3 + NO = HO2 + CO + CO2 + NO2 | 1.0*K<BR31> | new glyoxal product, added v5.1 | IUPAC (2008) |
<BP85> | HCOCO3 + NO2 = HO2 + CO + CO2 + NO3 | 1.0*K<BR28> | new glyoxal product, added v5.1 | IUPAC (2008) |
<BP86> | HCOCO3 + HO2 = 0.44*OH + 0.44*HO2 + 0.44*CO + 0.44*CO2 + 0.56*GLY + 0.15*O3 | 1.0*K<BR22> | new glyoxal product, added v5.1 | IUPAC (2008) |
<P001> | xHCHO + NO = NO + HCHO | 1.0*K<BR07> | ||
<P002> | xHCHO + HO2 = HO2 + XC | 1.0*K<BR08> | ||
<P003> | xHCHO + NO3 = NO3 + HCHO | 1.0*K<BR09> | ||
<P004> | xHCHO + MEO2 = MEO2 + 0.5*HCHO + 0.5*XC | 1.0*K<BR10> | ||
<P005> | xHCHO + RO2C = RO2C + 0.5*HCHO + 0.5*XC | 1.0*K<BR11> | ||
<P006> | xHCHO + RO2XC = RO2XC + 0.5*HCHO + 0.5*XC | 1.0*K<BR11> | ||
<P007> | xHCHO + MECO3 = MECO3 + HCHO | 1.0*K<BR25> | ||
<P008> | xHCHO + RCO3 = RCO3 + HCHO | 1.0*K<BR25> | ||
<P009> | xHCHO + BZCO3 = BZCO3 + HCHO | 1.0*K<BR25> | ||
<P010> | xHCHO + MACO3 = MACO3 + HCHO | 1.0*K<BR25> | ||
<P011> | xCCHO + NO = NO + CCHO | 1.0*K<BR07> | ||
<P012> | xCCHO + HO2 = HO2 + 2*XC | 1.0*K<BR08> | ||
<P013> | xCCHO + NO3 = NO3 + CCHO | 1.0*K<BR09> | ||
<P014> | xCCHO + MEO2 = MEO2 + 0.5*CCHO + XC | 1.0*K<BR10> | ||
<P015> | xCCHO + RO2C = RO2C + 0.5*CCHO + XC | 1.0*K<BR11> | ||
<P016> | xCCHO + RO2XC = RO2XC + 0.5*CCHO + XC | 1.0*K<BR11> | ||
<P017> | xCCHO + MECO3 = MECO3 + CCHO | 1.0*K<BR25> | ||
<P018> | xCCHO + RCO3 = RCO3 + CCHO | 1.0*K<BR25> | ||
<P019> | xCCHO + BZCO3 = BZCO3 + CCHO | 1.0*K<BR25> | ||
<P020> | xCCHO + MACO3 = MACO3 + CCHO | 1.0*K<BR25> | ||
<P021> | xRCHO + NO = NO + RCHO | 1.0*K<BR07> | ||
<P022> | xRCHO + HO2 = HO2 + 3*XC | 1.0*K<BR08> | ||
<P023> | xRCHO + NO3 = NO3 + RCHO | 1.0*K<BR09> | ||
<P024> | xRCHO + MEO2 = MEO2 + 0.5*RCHO + 1.5*XC | 1.0*K<BR10> | ||
<P025> | xRCHO + RO2C = RO2C + 0.5*RCHO + 1.5*XC | 1.0*K<BR11> | ||
<P026> | xRCHO + RO2XC = RO2XC + 0.5*RCHO + 1.5*XC | 1.0*K<BR11> | ||
<P027> | xRCHO + MECO3 = MECO3 + RCHO | 1.0*K<BR25> | ||
<P028> | xRCHO + RCO3 = RCO3 + RCHO | 1.0*K<BR25> | ||
<P029> | xRCHO + BZCO3 = BZCO3 + RCHO | 1.0*K<BR25> | ||
<P030> | xRCHO + MACO3 = MACO3 + RCHO | 1.0*K<BR25> | ||
<P031> | xACETONE + NO = NO + ACETONE | 1.0*K<BR07> | ||
<P032> | xACETONE + HO2 = HO2 + 3*XC | 1.0*K<BR08> | ||
<P033> | xACETONE + NO3 = NO3 + ACETONE | 1.0*K<BR09> | ||
<P034> | xACETONE + MEO2 = MEO2 + 0.5*ACETONE + 1.5*XC | 1.0*K<BR10> | ||
<P035> | xACETONE + RO2C = RO2C + 0.5*ACETONE + 1.5*XC | 1.0*K<BR11> | ||
<P036> | xACETONE + RO2XC = RO2XC + 0.5*ACETONE + 1.5*XC | 1.0*K<BR11> | ||
<P037> | xACETONE + MECO3 = MECO3 + ACETONE | 1.0*K<BR25> | ||
<P038> | xACETONE + RCO3 = RCO3 + ACETONE | 1.0*K<BR25> | ||
<P039> | xACETONE + BZCO3 = BZCO3 + ACETONE | 1.0*K<BR25> | ||
<P040> | xACETONE + MACO3 = MACO3 + ACETONE | 1.0*K<BR25> | ||
<P041> | xMEK + NO = NO + MEK | 1.0*K<BR07> | ||
<P042> | xMEK + HO2 = HO2 + 4*XC | 1.0*K<BR08> | ||
<P043> | xMEK + NO3 = NO3 + MEK | 1.0*K<BR09> | ||
<P044> | xMEK + MEO2 = MEO2 + 0.5*MEK + 2*XC | 1.0*K<BR10> | ||
<P045> | xMEK + RO2C = RO2C + 0.5*MEK + 2*XC | 1.0*K<BR11> | ||
<P046> | xMEK + RO2XC = RO2XC + 0.5*MEK + 2*XC | 1.0*K<BR11> | ||
<P047> | xMEK + MECO3 = MECO3 + MEK | 1.0*K<BR25> | ||
<P048> | xMEK + RCO3 = RCO3 + MEK | 1.0*K<BR25> | ||
<P049> | xMEK + BZCO3 = BZCO3 + MEK | 1.0*K<BR25> | ||
<P050> | xMEK + MACO3 = MACO3 + MEK | 1.0*K<BR25> | ||
<P051> | xPROD2 + NO = NO + PRD2 | 1.0*K<BR07> | ||
<P052> | xPROD2 + HO2 = HO2 + 6*XC | 1.0*K<BR08> | ||
<P053> | xPROD2 + NO3 = NO3 + PRD2 | 1.0*K<BR09> | ||
<P054> | xPROD2 + MEO2 = MEO2 + 0.5*PRD2 + 3*XC | 1.0*K<BR10> | ||
<P055> | xPROD2 + RO2C = RO2C + 0.5*PRD2 + 3*XC | 1.0*K<BR11> | ||
<P056> | xPROD2 + RO2XC = RO2XC + 0.5*PRD2 + 3*XC | 1.0*K<BR11> | ||
<P057> | xPROD2 + MECO3 = MECO3 + PRD2 | 1.0*K<BR25> | ||
<P058> | xPROD2 + RCO3 = RCO3 + PRD2 | 1.0*K<BR25> | ||
<P059> | xPROD2 + BZCO3 = BZCO3 + PRD2 | 1.0*K<BR25> | ||
<P060> | xPROD2 + MACO3 = MACO3 + PRD2 | 1.0*K<BR25> | ||
<P061> | xGLY + NO = NO + GLY | 1.0*K<BR07> | ||
<P062> | xGLY + HO2 = HO2 + 2*XC | 1.0*K<BR08> | ||
<P063> | xGLY + NO3 = NO3 + GLY | 1.0*K<BR09> | ||
<P064> | xGLY + MEO2 = MEO2 + 0.5*GLY + XC | 1.0*K<BR10> | ||
<P065> | xGLY + RO2C = RO2C + 0.5*GLY + XC | 1.0*K<BR11> | ||
<P066> | xGLY + RO2XC = RO2XC + 0.5*GLY + XC | 1.0*K<BR11> | ||
<P067> | xGLY + MECO3 = MECO3 + GLY | 1.0*K<BR25> | ||
<P068> | xGLY + RCO3 = RCO3 + GLY | 1.0*K<BR25> | ||
<P069> | xGLY + BZCO3 = BZCO3 + GLY | 1.0*K<BR25> | ||
<P070> | xGLY + MACO3 = MACO3 + GLY | 1.0*K<BR25> | ||
<P071> | xMGLY + NO = NO + MGLY | 1.0*K<BR07> | ||
<P072> | xMGLY + HO2 = HO2 + 3*XC | 1.0*K<BR08> | ||
<P073> | xMGLY + NO3 = NO3 + MGLY | 1.0*K<BR09> | ||
<P074> | xMGLY + MEO2 = MEO2 + 0.5*MGLY + 1.5*XC | 1.0*K<BR10> | ||
<P075> | xMGLY + RO2C = RO2C + 0.5*MGLY + 1.5*XC | 1.0*K<BR11> | ||
<P076> | xMGLY + RO2XC = RO2XC + 0.5*MGLY + 1.5*XC | 1.0*K<BR11> | ||
<P077> | xMGLY + MECO3 = MECO3 + MGLY | 1.0*K<BR25> | ||
<P078> | xMGLY + RCO3 = RCO3 + MGLY | 1.0*K<BR25> | ||
<P079> | xMGLY + BZCO3 = BZCO3 + MGLY | 1.0*K<BR25> | ||
<P080> | xMGLY + MACO3 = MACO3 + MGLY | 1.0*K<BR25> | ||
<P081> | xBACL + NO = NO + BACL | 1.0*K<BR07> | ||
<P082> | xBACL + HO2 = HO2 + 4*XC | 1.0*K<BR08> | ||
<P083> | xBACL + NO3 = NO3 + BACL | 1.0*K<BR09> | ||
<P084> | xBACL + MEO2 = MEO2 + 0.5*BACL + 2*XC | 1.0*K<BR10> | ||
<P085> | xBACL + RO2C = RO2C + 0.5*BACL + 2*XC | 1.0*K<BR11> | ||
<P086> | xBACL + RO2XC = RO2XC + 0.5*BACL + 2*XC | 1.0*K<BR11> | ||
<P087> | xBACL + MECO3 = MECO3 + BACL | 1.0*K<BR25> | ||
<P088> | xBACL + RCO3 = RCO3 + BACL | 1.0*K<BR25> | ||
<P089> | xBACL + BZCO3 = BZCO3 + BACL | 1.0*K<BR25> | ||
<P090> | xBACL + MACO3 = MACO3 + BACL | 1.0*K<BR25> | ||
<P091> | xBALD + NO = NO + BALD | 1.0*K<BR07> | ||
<P092> | xBALD + HO2 = HO2 + 7*XC | 1.0*K<BR08> | ||
<P093> | xBALD + NO3 = NO3 + BALD | 1.0*K<BR09> | ||
<P094> | xBALD + MEO2 = MEO2 + 0.5*BALD + 3.5*XC | 1.0*K<BR10> | ||
<P095> | xBALD + RO2C = RO2C + 0.5*BALD + 3.5*XC | 1.0*K<BR11> | ||
<P096> | xBALD + RO2XC = RO2XC + 0.5*BALD + 3.5*XC | 1.0*K<BR11> | ||
<P097> | xBALD + MECO3 = MECO3 + BALD | 1.0*K<BR25> | ||
<P098> | xBALD + RCO3 = RCO3 + BALD | 1.0*K<BR25> | ||
<P099> | xBALD + BZCO3 = BZCO3 + BALD | 1.0*K<BR25> | ||
<P100> | xBALD + MACO3 = MACO3 + BALD | 1.0*K<BR25> | ||
<P101> | xAFG1 + NO = NO + AFG1 | 1.0*K<BR07> | ||
<P102> | xAFG1 + HO2 = HO2 + 5*XC | 1.0*K<BR08> | ||
<P103> | xAFG1 + NO3 = NO3 + AFG1 | 1.0*K<BR09> | ||
<P104> | xAFG1 + MEO2 = MEO2 + 0.5*AFG1 + 2.5*XC | 1.0*K<BR10> | ||
<P105> | xAFG1 + RO2C = RO2C + 0.5*AFG1 + 2.5*XC | 1.0*K<BR11> | ||
<P106> | xAFG1 + RO2XC = RO2XC + 0.5*AFG1 + 2.5*XC | 1.0*K<BR11> | ||
<P107> | xAFG1 + MECO3 = MECO3 + AFG1 | 1.0*K<BR25> | ||
<P108> | xAFG1 + RCO3 = RCO3 + AFG1 | 1.0*K<BR25> | ||
<P109> | xAFG1 + BZCO3 = BZCO3 + AFG1 | 1.0*K<BR25> | ||
<P110> | xAFG1 + MACO3 = MACO3 + AFG1 | 1.0*K<BR25> | ||
<P111> | xAFG2 + NO = NO + AFG2 | 1.0*K<BR07> | ||
<P112> | xAFG2 + HO2 = HO2 + 5*XC | 1.0*K<BR08> | ||
<P113> | xAFG2 + NO3 = NO3 + AFG2 | 1.0*K<BR09> | ||
<P114> | xAFG2 + MEO2 = MEO2 + 0.5*AFG2 + 2.5*XC | 1.0*K<BR10> | ||
<P115> | xAFG2 + RO2C = RO2C + 0.5*AFG2 + 2.5*XC | 1.0*K<BR11> | ||
<P116> | xAFG2 + RO2XC = RO2XC + 0.5*AFG2 + 2.5*XC | 1.0*K<BR11> | ||
<P117> | xAFG2 + MECO3 = MECO3 + AFG2 | 1.0*K<BR25> | ||
<P118> | xAFG2 + RCO3 = RCO3 + AFG2 | 1.0*K<BR25> | ||
<P119> | xAFG2 + BZCO3 = BZCO3 + AFG2 | 1.0*K<BR25> | ||
<P120> | xAFG2 + MACO3 = MACO3 + AFG2 | 1.0*K<BR25> | ||
<P121> | xAFG3 + NO = NO + AFG3 | 1.0*K<BR07> | ||
<P122> | xAFG3 + HO2 = HO2 + 7*XC | 1.0*K<BR08> | ||
<P123> | xAFG3 + NO3 = NO3 + AFG3 | 1.0*K<BR09> | ||
<P124> | xAFG3 + MEO2 = MEO2 + 0.5*AFG3 + 3.5*XC | 1.0*K<BR10> | ||
<P125> | xAFG3 + RO2C = RO2C + 0.5*AFG3 + 3.5*XC | 1.0*K<BR11> | ||
<P126> | xAFG3 + RO2XC = RO2XC + 0.5*AFG3 + 3.5*XC | 1.0*K<BR11> | ||
<P127> | xAFG3 + MECO3 = MECO3 + AFG3 | 1.0*K<BR25> | ||
<P128> | xAFG3 + RCO3 = RCO3 + AFG3 | 1.0*K<BR25> | ||
<P129> | xAFG3 + BZCO3 = BZCO3 + AFG3 | 1.0*K<BR25> | ||
<P130> | xAFG3 + MACO3 = MACO3 + AFG3 | 1.0*K<BR25> | ||
<P131> | xMACR + NO = NO + MACR | 1.0*K<BR07> | ||
<P132> | xMACR + HO2 = HO2 + 4*XC | 1.0*K<BR08> | ||
<P133> | xMACR + NO3 = NO3 + MACR | 1.0*K<BR09> | ||
<P134> | xMACR + MEO2 = MEO2 + 0.5*MACR + 2*XC | 1.0*K<BR10> | ||
<P135> | xMACR + RO2C = RO2C + 0.5*MACR + 2*XC | 1.0*K<BR11> | ||
<P136> | xMACR + RO2XC = RO2XC + 0.5*MACR + 2*XC | 1.0*K<BR11> | ||
<P137> | xMACR + MECO3 = MECO3 + MACR | 1.0*K<BR25> | ||
<P138> | xMACR + RCO3 = RCO3 + MACR | 1.0*K<BR25> | ||
<P139> | xMACR + BZCO3 = BZCO3 + MACR | 1.0*K<BR25> | ||
<P140> | xMACR + MACO3 = MACO3 + MACR | 1.0*K<BR25> | ||
<P141> | xMVK + NO = NO + MVK | 1.0*K<BR07> | ||
<P142> | xMVK + HO2 = HO2 + 4*XC | 1.0*K<BR08> | ||
<P143> | xMVK + NO3 = NO3 + MVK | 1.0*K<BR09> | ||
<P144> | xMVK + MEO2 = MEO2 + 0.5*MVK + 2*XC | 1.0*K<BR10> | ||
<P145> | xMVK + RO2C = RO2C + 0.5*MVK + 2*XC | 1.0*K<BR11> | ||
<P146> | xMVK + RO2XC = RO2XC + 0.5*MVK + 2*XC | 1.0*K<BR11> | ||
<P147> | xMVK + MECO3 = MECO3 + MVK | 1.0*K<BR25> | ||
<P148> | xMVK + RCO3 = RCO3 + MVK | 1.0*K<BR25> | ||
<P149> | xMVK + BZCO3 = BZCO3 + MVK | 1.0*K<BR25> | ||
<P150> | xMVK + MACO3 = MACO3 + MVK | 1.0*K<BR25> | ||
<P151> | xIPRD + NO = NO + IPRD | 1.0*K<BR07> | ||
<P152> | xIPRD + HO2 = HO2 + 5*XC | 1.0*K<BR08> | ||
<P153> | xIPRD + NO3 = NO3 + IPRD | 1.0*K<BR09> | ||
<P154> | xIPRD + MEO2 = MEO2 + 0.5*IPRD + 2.5*XC | 1.0*K<BR10> | ||
<P155> | xIPRD + RO2C = RO2C + 0.5*IPRD + 2.5*XC | 1.0*K<BR11> | ||
<P156> | xIPRD + RO2XC = RO2XC + 0.5*IPRD + 2.5*XC | 1.0*K<BR11> | ||
<P157> | xIPRD + MECO3 = MECO3 + IPRD | 1.0*K<BR25> | ||
<P158> | xIPRD + RCO3 = RCO3 + IPRD | 1.0*K<BR25> | ||
<P159> | xIPRD + BZCO3 = BZCO3 + IPRD | 1.0*K<BR25> | ||
<P160> | xIPRD + MACO3 = MACO3 + IPRD | 1.0*K<BR25> | ||
<P161> | xRNO3 + NO = NO + RNO3 | 1.0*K<BR07> | ||
<P162> | xRNO3 + HO2 = HO2 + 6*XC + XN | 1.0*K<BR08> | ||
<P163> | xRNO3 + NO3 = NO3 + RNO3 | 1.0*K<BR09> | ||
<P164> | xRNO3 + MEO2 = MEO2 + 0.5*RNO3 + 0.5*XN + 3*XC | 1.0*K<BR10> | ||
<P165> | xRNO3 + RO2C = RO2C + 0.5*RNO3 + 0.5*XN + 3*XC | 1.0*K<BR11> | ||
<P166> | xRNO3 + RO2XC = RO2XC + 0.5*RNO3 + 0.5*XN + 3*XC | 1.0*K<BR11> | ||
<P167> | xRNO3 + MECO3 = MECO3 + RNO3 | 1.0*K<BR25> | ||
<P168> | xRNO3 + RCO3 = RCO3 + RNO3 | 1.0*K<BR25> | ||
<P169> | xRNO3 + BZCO3 = BZCO3 + RNO3 | 1.0*K<BR25> | ||
<P170> | xRNO3 + MACO3 = MACO3 + RNO3 | 1.0*K<BR25> | ||
<PX161> | xMTNO3 + NO = NO + MTNO3 | 1.0*K<BR07> | following xRNO3 | Pye 2015 |
<PX162> | xMTNO3 + HO2 = HO2 + 6*XC + XN | 2.65e-13*exp(1300/T) | Rate constant from MCM for 10 C | Pye 2015 |
<PX163> | xMTNO3 + NO3 = NO3 + MTNO3 | 1.0*K<BR09> | Pye 2015 | |
<PX164> | xMTNO3 + MEO2 = MEO2 + 0.5*MTNO3 + 0.5*XN + 3*XC | 1.0*K<BR10> | Pye 2015 | |
<PX165> | xMTNO3 + RO2C = RO2C + 0.5*MTNO3 + 0.5*XN + 3*XC | 1.0*K<BR11> | Pye 2015 | |
<PX166> | xMTNO3 + RO2XC = RO2XC + 0.5*MTNO3 + 0.5*XN + 3*XC | 1.0*K<BR11> | Pye 2015 | |
<PX167> | xMTNO3 + MECO3 = MECO3 + MTNO3 | 1.0*K<BR25> | Pye 2015 | |
<PX168> | xMTNO3 + RCO3 = RCO3 + MTNO3 | 1.0*K<BR25> | Pye 2015 | |
<PX169> | xMTNO3 + BZCO3 = BZCO3 + MTNO3 | 1.0*K<BR25> | Pye 2015 | |
<PX170> | xMTNO3 + MACO3 = MACO3 + MTNO3 | 1.0*K<BR25> | Pye 2015 | |
<PX170b> | xMTNO3 + IMACO3 = MACO3 + MTNO3 | 1.0*K<BR25> | Lin 2013, Pye 2015 | |
<P171> | yROOH + NO = NO | 1.0*K<BR07> | ||
<P172> | yROOH + HO2 = HO2 + ROOH-3*XC | 1.0*K<BR08> | ||
<P173> | yROOH + NO3 = NO3 | 1.0*K<BR09> | ||
<P174> | yROOH + MEO2 = MEO2 + 0.5*MEK-2*XC | 1.0*K<BR10> | ||
<P175> | yROOH + RO2C = RO2C + 0.5*MEK-2*XC | 1.0*K<BR11> | ||
<P176> | yROOH + RO2XC = RO2XC + 0.5*MEK-2*XC | 1.0*K<BR11> | ||
<P177> | yROOH + MECO3 = MECO3 | 1.0*K<BR25> | ||
<P178> | yROOH + RCO3 = RCO3 | 1.0*K<BR25> | ||
<P179> | yROOH + BZCO3 = BZCO3 | 1.0*K<BR25> | ||
<P180> | yROOH + MACO3 = MACO3 | 1.0*K<BR25> | ||
<P181> | yR6OOH + NO = NO | 1.0*K<BR07> | ||
<P182> | yR6OOH + HO2 = HO2 + R6OOH-6*XC | 1.0*K<BR08> | ||
<P183> | yR6OOH + NO3 = NO3 | 1.0*K<BR09> | ||
<P184> | yR6OOH + MEO2 = MEO2 + 0.5*PRD2-3*XC | 1.0*K<BR10> | ||
<P185> | yR6OOH + RO2C = RO2C + 0.5*PRD2-3*XC | 1.0*K<BR11> | ||
<P186> | yR6OOH + RO2XC = RO2XC + 0.5*PRD2-3*XC | 1.0*K<BR11> | ||
<P187> | yR6OOH + MECO3 = MECO3 | 1.0*K<BR25> | ||
<P188> | yR6OOH + RCO3 = RCO3 | 1.0*K<BR25> | ||
<P189> | yR6OOH + BZCO3 = BZCO3 | 1.0*K<BR25> | ||
<P190> | yR6OOH + MACO3 = MACO3 | 1.0*K<BR25> | ||
<P191> | yRAOOH + NO = NO | 1.0*K<BR07> | ||
<P192> | yRAOOH + HO2 = HO2 + RAOOH-8*XC | 1.0*K<BR08> | ||
<P193> | yRAOOH + NO3 = NO3 | 1.0*K<BR09> | ||
<P194> | yRAOOH + MEO2 = MEO2 + 0.5*PRD2-3*XC | 1.0*K<BR10> | ||
<P195> | yRAOOH + RO2C = RO2C + 0.5*PRD2-3*XC | 1.0*K<BR11> | ||
<P196> | yRAOOH + RO2XC = RO2XC + 0.5*PRD2-3*XC | 1.0*K<BR11> | ||
<P197> | yRAOOH + MECO3 = MECO3 | 1.0*K<BR25> | ||
<P198> | yRAOOH + RCO3 = RCO3 | 1.0*K<BR25> | ||
<P199> | yRAOOH + BZCO3 = BZCO3 | 1.0*K<BR25> | ||
<P200> | yRAOOH + MACO3 = MACO3 | 1.0*K<BR25> | ||
<P201> | zRNO3 + NO = NO + RNO3-1*XN | 1.0*K<BR07> | ||
<P202> | zRNO3 + HO2 = HO2 + 6*XC | 1.0*K<BR08> | ||
<P203> | zRNO3 + NO3 = NO3 + PRD2 + HO2 | 1.0*K<BR09> | ||
<P204> | zRNO3 + MEO2 = MEO2 + 0.5*PRD2 + 0.5*HO2 + 3*XC | 1.0*K<BR10> | ||
<P205> | zRNO3 + RO2C = RO2C + 0.5*PRD2 + 0.5*HO2 + 3*XC | 1.0*K<BR11> | ||
<P206> | zRNO3 + RO2XC = RO2XC + 0.5*PRD2 + 0.5*HO2 + 3*XC | 1.0*K<BR11> | ||
<P207> | zRNO3 + MECO3 = MECO3 + PRD2 + HO2 | 1.0*K<BR25> | ||
<P208> | zRNO3 + RCO3 = RCO3 + PRD2 + HO2 | 1.0*K<BR25> | ||
<P209> | zRNO3 + BZCO3 = BZCO3 + PRD2 + HO2 | 1.0*K<BR25> | ||
<P210> | zRNO3 + MACO3 = MACO3 + PRD2 + HO2 | 1.0*K<BR25> | ||
<PZ201> | zMTNO3 + NO = NO + MTNO3-1*XN | 1.0*K<BR07> | following zRNO3 | Pye 2015 |
<PZ202> | zMTNO3 + HO2 = HO2 + 6*XC | 2.65e-13*exp(1300/T) | Rate constant from MCM for 10 C | Pye 2015 |
<PZ203> | zMTNO3 + NO3 = NO3 + PRD2 + HO2 | 1.0*K<BR09> | Pye 2015 | |
<PZ204> | zMTNO3 + MEO2 = MEO2 + 0.5*PRD2 + 0.5*HO2 + 3*XC | 1.0*K<BR10> | Pye 2015 | |
<PZ205> | zMTNO3 + RO2C = RO2C + 0.5*PRD2 + 0.5*HO2 + 3*XC | 1.0*K<BR11> | Pye 2015 | |
<PZ206> | zMTNO3 + RO2XC = RO2XC + 0.5*PRD2 + 0.5*HO2 + 3*XC | 1.0*K<BR11> | Pye 2015 | |
<PZ207> | zMTNO3 + MECO3 = MECO3 + PRD2 + HO2 | 1.0*K<BR25> | Pye 2015 | |
<PZ208> | zMTNO3 + RCO3 = RCO3 + PRD2 + HO2 | 1.0*K<BR25> | Pye 2015 | |
<PZ209> | zMTNO3 + BZCO3 = BZCO3 + PRD2 + HO2 | 1.0*K<BR25> | Pye 2015 | |
<PZ210> | zMTNO3 + MACO3 = MACO3 + PRD2 + HO2 | 1.0*K<BR25> | Pye 2015 | |
<PZ210b> | zMTNO3 + IMACO3 = IMACO3 + PRD2 + HO2 | 1.0*K<BR25> | Lin 2013, Pye 2015 | |
<P211> | xHOCCHO + NO = NO + HOCCHO | 1.0*K<BR07> | ||
<P212> | xHOCCHO + HO2 = HO2 + 2*XC | 1.0*K<BR08> | ||
<P213> | xHOCCHO + NO3 = NO3 + HOCCHO | 1.0*K<BR09> | ||
<P214> | xHOCCHO + MEO2 = MEO2 + 0.5*HOCCHO + XC | 1.0*K<BR10> | ||
<P215> | xHOCCHO + RO2C = RO2C + 0.5*HOCCHO + XC | 1.0*K<BR11> | ||
<P216> | xHOCCHO + RO2XC = RO2XC + 0.5*HOCCHO + XC | 1.0*K<BR11> | ||
<P217> | xHOCCHO + MECO3 = MECO3 + HOCCHO | 1.0*K<BR25> | ||
<P218> | xHOCCHO + RCO3 = RCO3 + HOCCHO | 1.0*K<BR25> | ||
<P219> | xHOCCHO + BZCO3 = BZCO3 + HOCCHO | 1.0*K<BR25> | ||
<P220> | xHOCCHO + MACO3 = MACO3 + HOCCHO | 1.0*K<BR25> | ||
<P221> | xACROLEIN + NO = NO + ACROLEIN | 1.0*K<BR07> | ||
<P222> | xACROLEIN + HO2 = HO2 + 3*XC | 1.0*K<BR08> | ||
<P223> | xACROLEIN + NO3 = NO3 + ACROLEIN | 1.0*K<BR09> | ||
<P224> | xACROLEIN + MEO2 = MEO2 + 0.5*ACROLEIN + 1.5*XC | 1.0*K<BR10> | ||
<P225> | xACROLEIN + RO2C = RO2C + 0.5*ACROLEIN + 1.5*XC | 1.0*K<BR11> | ||
<P226> | xACROLEIN + RO2XC = RO2XC + 0.5*ACROLEIN + 1.5*XC | 1.0*K<BR11> | ||
<P227> | xACROLEIN + MECO3 = MECO3 + ACROLEIN | 1.0*K<BR25> | ||
<P228> | xACROLEIN + RCO3 = RCO3 + ACROLEIN | 1.0*K<BR25> | ||
<P229> | xACROLEIN + BZCO3 = BZCO3 + ACROLEIN | 1.0*K<BR25> | ||
<P230> | xACROLEIN + MACO3 = MACO3 + ACROLEIN | 1.0*K<BR25> | ||
<BE01> | CH4 + OH = MEO2 | 1.85e-12*exp(-1690/T) | ||
<BE02> | ETHENE + OH = xHO2 + RO2C + 1.61*xHCHO + 0.195*xHOCCHO + yROOH | k0=1.00e-28*(T/300)(-4.50), kinf=8.80e-12*(T/300)(-0.85), F=0.60, n=1.0 | ||
<BE03> | ETHENE + O3 = 0.16*HO2 + 0.16*OH + 0.51*CO + 0.12*CO2 + HCHO + 0.37*HCOOH | 9.14e-15*exp(-2580/T) | ||
<BE04> | ETHENE + NO3 = xHO2 + RO2C + xRCHO + yROOH + XN-1*XC | 3.30e-12*exp(-2880/T) | corrected temperature power (set to zero) | |
<BE05> | ETHENE + O3P = 0.8*HO2 + 0.29*xHO2 + 0.51*MEO2 + 0.29*RO2C + 0.51*CO + 0.278*xCO + 0.278*xHCHO + 0.1*CCHO + 0.012*xGLY + 0.29*yROOH + 0.2*XC | 1.07e-11*exp(-800/T) | ||
<BT01> | PROPENE + OH = 0.984*xHO2 + 0.984*RO2C + 0.016*RO2XC + 0.016*zRNO3 + 0.984*xHCHO + 0.984*xCCHO + yROOH-0.048*XC | 4.85e-12*exp(504/T) | ||
<BT02> | PROPENE + O3 = 0.165*HO2 + 0.35*OH + 0.355*MEO2 + 0.525*CO + 0.215*CO2 + 0.5*HCHO + 0.5*CCHO + 0.185*HCOOH + 0.075*CCOOH + 0.07*XC | 5.51e-15*exp(-1878/T) | ||
<BT03> | PROPENE + NO3 = 0.949*xHO2 + 0.949*RO2C + 0.051*RO2XC + 0.051*zRNO3 + yROOH + XN + 2.694*XC | 4.59e-13*exp(-1156/T) | ||
<BT04> | PROPENE + O3P = 0.45*RCHO + 0.55*MEK-0.55*XC | 1.02e-11*exp(-280/T) | ||
<BT05> | BUTADIENE13 + OH = 0.951*xHO2 + 1.189*RO2C + 0.049*RO2XC + 0.049*zRNO3 + 0.708*xHCHO + 0.58*xACROLEIN + 0.471*xIPRD + yROOH-0.797*XC | 1.48e-11*exp(448/T) | Acrolein yield increased from 0.48 to 0.58 | per Gookyoung Heo recommendation |
<BT06> | BUTADIENE13 + O3 = 0.08*HO2 + 0.08*OH + 0.255*CO + 0.185*CO2 + 0.5*HCHO + 0.185*HCOOH + 0.5*ACROLEIN + 0.375*MVK + 0.125*PRD2-0.875*XC | 1.34e-14*exp(-2283/T) | ||
<BT07> | BUTADIENE13 + NO3 = 0.815*xHO2 + 0.12*xNO2 + 1.055*RO2C + 0.065*RO2XC + 0.065*zRNO3 + 0.115*xHCHO + 0.46*xMVK + 0.12*xIPRD + 0.355*xRNO3 + yROOH + 0.525*XN-1.075*XC | 1.00e-13 | ||
<BT08> | BUTADIENE13 + O3P = 0.25*HO2 + 0.117*xHO2 + 0.118*xMACO3 + 0.235*RO2C + 0.015*RO2XC + 0.015*zRNO3 + 0.115*xCO + 0.115*xACROLEIN + 0.001*xAFG1 + 0.001*xAFG2 + 0.75*PRD2 + 0.25*yROOH-1.532*XC | 2.26e-11*exp(-40/T) | ||
<BE07> | ISOPRENE + O3 = 0.066*HO2 + 0.266*OH + 0.192*xMACO3 + 0.192*RO2C + 0.008*RO2XC + 0.008*zRNO3 + 0.275*CO + 0.122*CO2 + 0.4*HCHO + 0.192*xHCHO + 0.204*HCOOH + 0.39*MACR + 0.16*MVK + 0.15*IPRD + 0.1*PRD2 + 0.2*yR6OOH-0.559*XC | 7.86e-15*exp(-1912/T) | ||
<BE09> | ISOPRENE + O3P = 0.25*MEO2 + 0.24*xMACO3 + 0.24*RO2C + 0.01*RO2XC + 0.01*zRNO3 + 0.24*xHCHO + 0.75*PRD2 + 0.25*yR6OOH-1.01*XC | 3.50e-11 | ||
<BT09> | APIN + OH = 0.799*xHO2 + 0.004*xRCO3 + 1.042*RO2C + 0.197*RO2XC + 0.197*zRNO3 + 0.002*xCO + 0.022*xHCHO + 0.776*xRCHO + 0.034*xACETONE + 0.02*xMGLY + 0.023*xBACL + yR6OOH + TRPRXN + 6.2*XC | 1.21e-11*exp(436/T) | ||
<BT10> | APIN + O3 = 0.009*HO2 + 0.102*xHO2 + 0.728*OH + 0.001*xMECO3 + 0.297*xRCO3 + 1.511*RO2C + 0.337*RO2XC + 0.337*zRNO3 + 0.029*CO + 0.051*xCO + 0.017*CO2 + 0.344*xHCHO + 0.24*xRCHO + 0.345*xACETONE + 0.008*MEK + 0.002*xGLY + 0.081*xBACL + 0.255*PRD2 + 0.737*yR6OOH + TRPRXN + 2.999*XC | 5.00e-16*exp(-530/T) | ||
<BT11> | APIN + NO3 = 0.056*xHO2 + 0.643*xNO2 + 0.007*xRCO3 + 1.05*RO2C + 0.293*RO2XC + 0.293*zRNO3 + 0.005*xCO + 0.007*xHCHO + 0.684*xRCHO + 0.069*xACETONE + 0.002*xMGLY + 0.056*xRNO3 + yR6OOH + 0.301*XN + 5.608*XC | 1.19e-12*exp(490/T) | no longer forms TRPRXN in v5.1 | |
<BT12> | APIN + O3P = PRD2 + TRPRXN + 4*XC | 3.20e-11 | ||
<BE10> | ACETYLENE + OH = 0.3*HO2 + 0.7*OH + 0.3*CO + 0.3*HCOOH + 0.7*GLY | k0=5.50e-30, kinf=8.30e-13*(T/300)(-2.00), F=0.60, n=1.0 | corrected temperature dependence (infinity rate has T dependence) in v5.1 | |
<BE11> | ACETYLENE + O3 = 1.5*HO2 + 0.5*OH + 1.5*CO + 0.5*CO2 | 1.00e-14*exp(-4100/T) | ||
<BE12> | BENZENE + OH = 0.57*HO2 + 0.29*xHO2 + 0.116*OH + 0.29*RO2C + 0.024*RO2XC + 0.024*zRNO3 + 0.29*xGLY + 0.57*CRES + 0.029*xAFG1 + 0.261*xAFG2 + 0.116*AFG3 + 0.314*yRAOOH + BENZRO2-0.976*XC | 2.33e-12*exp(-193/T) | ||
<BT13> | TOLUENE + OH = 0.181*HO2 + 0.454*xHO2 + 0.312*OH + 0.454*RO2C + 0.054*RO2XC + 0.054*zRNO3 + 0.238*xGLY + 0.151*xMGLY + 0.181*CRES + 0.065*xBALD + 0.195*xAFG1 + 0.195*xAFG2 + 0.312*AFG3 + 0.073*yR6OOH + 0.435*yRAOOH + TOLRO2-0.109*XC | 1.81e-12*exp(338/T) | ||
<BT14> | MXYL + OH = 0.159*HO2 + 0.52*xHO2 + 0.239*OH + 0.52*RO2C + 0.082*RO2XC + 0.082*zRNO3 + 0.1*xGLY + 0.38*xMGLY + 0.159*CRES + 0.041*xBALD + 0.336*xAFG1 + 0.144*xAFG2 + 0.239*AFG3 + 0.047*yR6OOH + 0.555*yRAOOH + XYLRO2 + 0.695*XC | 2.31e-11 | ||
<BT15> | OXYL + OH = 0.161*HO2 + 0.554*xHO2 + 0.198*OH + 0.554*RO2C + 0.087*RO2XC + 0.087*zRNO3 + 0.084*xGLY + 0.238*xMGLY + 0.185*xBACL + 0.161*CRES + 0.047*xBALD + 0.253*xAFG1 + 0.253*xAFG2 + 0.198*AFG3 + 0.055*yR6OOH + 0.586*yRAOOH + XYLRO2 + 0.484*XC | 1.36e-11 | ||
<BT16> | PXYL + OH = 0.159*HO2 + 0.487*xHO2 + 0.278*OH + 0.487*RO2C + 0.076*RO2XC + 0.076*zRNO3 + 0.286*xGLY + 0.112*xMGLY + 0.159*CRES + 0.088*xBALD + 0.045*xAFG1 + 0.067*xAFG2 + 0.278*AFG3 + 0.286*xAFG3 + 0.102*yR6OOH + 0.461*yRAOOH + XYLRO2 + 0.399*XC | 1.43e-11 | ||
<BT17> | TMBENZ124 + OH = 0.022*HO2 + 0.627*xHO2 + 0.23*OH + 0.627*RO2C + 0.121*RO2XC + 0.121*zRNO3 + 0.074*xGLY + 0.405*xMGLY + 0.112*xBACL + 0.022*CRES + 0.036*xBALD + 0.088*xAFG1 + 0.352*xAFG2 + 0.23*AFG3 + 0.151*xAFG3 + 0.043*yR6OOH + 0.705*yRAOOH + XYLRO2 + 1.19*XC | 3.25e-11 | ||
<BT18> | ETOH + OH = 0.95*HO2 + 0.05*xHO2 + 0.05*RO2C + 0.081*xHCHO + 0.95*CCHO + 0.01*xHOCCHO + 0.05*yROOH-0.001*XC | 5.49e-13*(T/300)(2.00)*exp(530/T) | ||
<BL01> | ALK1 + OH = xHO2 + RO2C + xCCHO + yROOH | 1.34e-12*(T/300)(2.00)*exp(-499/T) | ||
<BL02> | ALK2 + OH = 0.965*xHO2 + 0.965*RO2C + 0.035*RO2XC + 0.035*zRNO3 + 0.261*xRCHO + 0.704*xACETONE + yROOH-0.105*XC | 1.49e-12*(T/300)(2.00)*exp(-87/T) | ||
<BL03> | ALK3 + OH = 0.695*xHO2 + 0.236*xTBUO + 1.253*RO2C + 0.07*RO2XC + 0.07*zRNO3 + 0.026*xHCHO + 0.445*xCCHO + 0.122*xRCHO + 0.024*xACETONE + 0.332*xMEK + 0.983*yROOH + 0.017*yR6OOH-0.046*XC | 1.51e-12*exp(126/T) | ||
<BL04> | ALK4 + OH = 0.83*xHO2 + 0.01*xMEO2 + 0.011*xMECO3 + 1.763*RO2C + 0.149*RO2XC + 0.149*zRNO3 + 0.002*xCO + 0.029*xHCHO + 0.438*xCCHO + 0.236*xRCHO + 0.426*xACETONE + 0.106*xMEK + 0.146*xPROD2 + yR6OOH-0.119*XC | 3.75e-12*exp(44/T) | ||
<BL05> | ALK5 + OH = 0.647*xHO2 + 1.605*RO2C + 0.353*RO2XC + 0.353*zRNO3 + 0.04*xHCHO + 0.106*xCCHO + 0.209*xRCHO + 0.071*xACETONE + 0.086*xMEK + 0.407*xPROD2 + yR6OOH + 2.004*XC | 2.70e-12*exp(374/T) | no longer forms ALKRXN/ALK5RXN | |
<AALK> | SOAALK + OH = OH + 0.47*ALKRXN | 2.70e-12*exp(374/T) | 0.47 accounts for the fact that not all SOAALK behaves like dodecane | Pye 2012 |
<BL06> | OLE1 + OH = 0.871*xHO2 + 0.001*xMEO2 + 1.202*RO2C + 0.128*RO2XC + 0.128*zRNO3 + 0.582*xHCHO + 0.01*xCCHO + 0.007*xHOCCHO + 0.666*xRCHO + 0.007*xACETONE + 0.036*xACROLEIN + 0.001*xMACR + 0.012*xMVK + 0.009*xIPRD + 0.168*xPROD2 + 0.169*yROOH + 0.831*yR6OOH + 0.383*XC | 6.72e-12*exp(501/T) | ||
<BL07> | OLE1 + O3 = 0.095*HO2 + 0.057*xHO2 + 0.128*OH + 0.09*RO2C + 0.005*RO2XC + 0.005*zRNO3 + 0.303*CO + 0.088*CO2 + 0.5*HCHO + 0.011*xCCHO + 0.5*RCHO + 0.044*xRCHO + 0.003*xACETONE + 0.009*MEK + 0.185*HCOOH + 0.159*RCOOH + 0.268*PRD2 + 0.011*yROOH + 0.052*yR6OOH + 0.11*XC | 3.19e-15*exp(-1701/T) | ||
<BL08> | OLE1 + NO3 = 0.772*xHO2 + 1.463*RO2C + 0.228*RO2XC + 0.228*zRNO3 + 0.013*xCCHO + 0.003*xRCHO + 0.034*xACETONE + 0.774*xRNO3 + 0.169*yROOH + 0.831*yR6OOH + 0.226*XN-1.149*XC | 5.37e-13*exp(-1047/T) | ||
<BL09> | OLE1 + O3P = 0.45*RCHO + 0.39*MEK + 0.16*PRD2 + 1.13*XC | 1.61e-11*exp(-326/T) | ||
<BL10> | OLE2 + OH = 0.912*xHO2 + 0.953*RO2C + 0.088*RO2XC + 0.088*zRNO3 + 0.179*xHCHO + 0.835*xCCHO + 0.51*xRCHO + 0.144*xACETONE + 0.08*xMEK + 0.002*xMVK + 0.012*xIPRD + 0.023*xPROD2 + 0.319*yROOH + 0.681*yR6OOH + 0.135*XC | 1.26e-11*exp(488/T) | ||
<BL11> | OLE2 + O3 = 0.094*HO2 + 0.041*xHO2 + 0.443*OH + 0.307*MEO2 + 0.156*xMECO3 + 0.008*xRCO3 + 0.212*RO2C + 0.003*RO2XC + 0.003*zRNO3 + 0.299*CO + 0.161*CO2 + 0.131*HCHO + 0.114*xHCHO + 0.453*CCHO + 0.071*xCCHO + 0.333*RCHO + 0.019*xRCHO + 0.051*ACETONE + 0.033*MEK + 0.001*xMEK + 0.024*HCOOH + 0.065*CCOOH + 0.235*RCOOH + 0.037*PRD2 + 0.073*yROOH + 0.136*yR6OOH + 0.16*XC | 8.59e-15*exp(-1255/T) | ||
<BL12> | OLE2 + NO3 = 0.4*xHO2 + 0.426*xNO2 + 0.035*xMEO2 + 1.193*RO2C + 0.14*RO2XC + 0.14*zRNO3 + 0.072*xHCHO + 0.579*xCCHO + 0.163*xRCHO + 0.116*xACETONE + 0.002*xMEK + 0.32*xRNO3 + 0.319*yROOH + 0.681*yR6OOH + 0.254*XN + 0.13*XC | 2.31e-13*exp(382/T) | ||
<BL13> | OLE2 + O3P = 0.079*RCHO + 0.751*MEK + 0.17*PRD2 + 0.739*XC | 1.43e-11*exp(111/T) | ||
<BL14> | ARO1 + OH = 0.123*HO2 + 0.566*xHO2 + 0.202*OH + 0.566*RO2C + 0.11*RO2XC + 0.11*zRNO3 + 0.158*xGLY + 0.1*xMGLY + 0.123*CRES + 0.072*xAFG1 + 0.185*xAFG2 + 0.202*AFG3 + 0.309*xPROD2 + 0.369*yR6OOH + TOLRO2 + 0.31*XC | 7.84e-12 | ||
<BL15a> | ARO2MN + OH = 0.077*HO2 + 0.617*xHO2 + 0.178*OH + 0.617*RO2C + 0.128*RO2XC + 0.128*zRNO3 + 0.088*xGLY + 0.312*xMGLY + 0.134*xBACL + 0.077*CRES + 0.026*xBALD + 0.221*xAFG1 + 0.247*xAFG2 + 0.178*AFG3 + 0.068*xAFG3 + 0.057*xPROD2 + 0.101*yR6OOH + XYLRO2 + 1.459*XC | 3.09e-11 | same products as ARO2 | |
<BL15b> | NAPHTHAL + OH = 0.077*HO2 + 0.617*xHO2 + 0.178*OH + 0.617*RO2C + 0.128*RO2XC + 0.128*zRNO3 + 0.088*xGLY + 0.312*xMGLY + 0.134*xBACL + 0.077*CRES + 0.026*xBALD + 0.221*xAFG1 + 0.247*xAFG2 + 0.178*AFG3 + 0.068*xAFG3 + 0.057*xPROD2 + 0.101*yR6OOH + PAHRO2 + 1.459*XC | 3.09e-11 | same products as ARO2, PAHRO2 tracks SOA | SOA: Pye 2012 |
<BL16> | TERP + OH = 0.734*xHO2 + 0.064*xRCO3 + 1.211*RO2C + 0.201*RO2XC + 0.201*zMTNO3 + 0.001*xCO + 0.411*xHCHO + 0.385*xRCHO + 0.037*xACETONE + 0.007*xMEK + 0.003*xMGLY + 0.009*xBACL + 0.003*xMVK + 0.002*xIPRD + 0.409*xPROD2 + yR6OOH + TRPRXN + 4.375*XC | 2.27e-11*exp(435/T) | zRNO3 product replaced with zMTNO3 for SOA purposes | Pye 2015 |
<BL17> | TERP + O3 = 0.078*HO2 + 0.046*xHO2 + 0.499*OH + 0.202*xMECO3 + 0.059*xRCO3 + 0.49*RO2C + 0.121*RO2XC + 0.121*zMTNO3 + 0.249*CO + 0.063*CO2 + 0.127*HCHO + 0.033*xHCHO + 0.208*xRCHO + 0.057*xACETONE + 0.002*MEK + 0.172*HCOOH + 0.068*RCOOH + 0.003*xMGLY + 0.039*xBACL + 0.002*xMACR + 0.001*xIPRD + 0.502*PRD2 + 0.428*yR6OOH + TRPRXN + 3.852*XC | 8.28e-16*exp(-785/T) | zRNO3 replaced with zMTNO3 for SOA purposes | Pye 2015 |
<BL18> | TERP + NO3 = TERPNRO2 | 1.33e-12*exp(490/T) | no longer forms TRPXN for SOA | Pye 2015 |
<BL18a> | TERPNRO2 + NO = 0.827*NO2 + 0.688*MTNO3 + 0.424*RO2C + 0.227*HO2 + 0.026*RCO3 + 0.012*CO + 0.023*HCHO + 0.002*HOCCHO + 0.403*RCHO + 0.239*ACETONE + 0.005*MACR + 0.001*MVK + 0.004*IPRD + 0.485*XN + 1.035*XC | 1.0*K<BR07> | Pye 2015 | |
<BL18b> | TERPNRO2 + HO2 = 1.0*MTNO3 | 2.65e-13*exp(1300/T) | Pye 2015 | |
<BL18c> | TERPNRO2 + NO3 = 1.531*NO2 + 0.422*MTNO3 + 0.786*RO2C + 0.420*HO2 + 0.048*RCO3 + 0.022*CO + 0.043*HCHO + 0.004*HOCCHO + 0.746*RCHO + 0.443*ACETONE + 0.009*MACR + 0.002*MVK + 0.007*IPRD + 0.047*XN + 1.917*XC | 1.0*K<BR09> | Pye 2015 | |
<BL18d> | TERPNRO2 + MEO2 = 0.266*NO2 + 0.711*MTNO3 + 0.393*RO2C + 0.710*HO2 + 0.024*RCO3 + 0.011*CO + 0.772*HCHO + 0.002*HOCCHO + 0.373*RCHO + 0.222*ACETONE + 0.005*MACR + 0.001*MVK + 0.004*IPRD + 0.024*XN + 0.959*XC + 0.250*MEOH | 1.0*K<BR10> | Pye 2015 | |
<BL18e> | TERPNRO2 + RO2C = 0.266*NO2 + 0.711*MTNO3 + 0.393*RO2C + 0.210*HO2 + 0.024*RCO3 + 0.011*CO + 0.022*HCHO + 0.002*HOCCHO + 0.373*RCHO + 0.222*ACETONE + 0.005*MACR + 0.001*MVK + 0.004*IPRD + 0.024*XN + 0.959*XC | 1.0*K<BR11> | Pye 2015 | |
<BL18f> | TERPNRO2 + RO2XC = 0.266*NO2 + 0.711*MTNO3 + 0.393*RO2C + 0.210*HO2 + 0.024*RCO3 + 0.011*CO + 0.022*HCHO + 0.002*HOCCHO + 0.373*RCHO + 0.222*ACETONE + 0.005*MACR + 0.001*MVK + 0.004*IPRD + 0.024*XN + 0.959*XC | 1.0*K<BR11> | Pye 2015 | |
<BL18g> | TERPNRO2 + MECO3 = 0.531*NO2 + 0.422*MTNO3 + 0.786*RO2C + 0.420*HO2 + 0.048*RCO3 + 0.022*CO + 0.043*HCHO + 0.004*HOCCHO + 0.746*RCHO + 0.443*ACETONE + 0.009*MACR + 0.002*MVK + 0.007*IPRD + 0.047*XN + 1.917*XC + MEO2 + CO2 | 1.0*K<BR25> | Pye 2015 | |
<BL18h> | TERPNRO2 + RCO3 = 0.531*NO2 + 0.422*MTNO3 + 1.786*RO2C + 0.420*HO2 + 0.048*RCO3 + 0.022*CO + 0.043*HCHO + 0.004*HOCCHO + 0.746*RCHO + 0.443*ACETONE + 0.009*MACR + 0.002*MVK + 0.007*IPRD + 0.047*XN + 1.917*XC + CO2 + xHO2 + xCCHO + yROOH | 1.0*K<BR25> | Pye 2015 | |
<BL18i> | TERPNRO2 + BZCO3 = 0.531*NO2 + 0.422*MTNO3 + 1.786*RO2C + 0.420*HO2 + 0.048*RCO3 + 0.022*CO + 0.043*HCHO + 0.004*HOCCHO + 0.746*RCHO + 0.443*ACETONE + 0.009*MACR + 0.002*MVK + 0.007*IPRD + 0.047*XN + 1.917*XC + CO2 + BZO | 1.0*K<BR25> | Pye 2015 | |
<BL19j> | TERPNRO2 + MACO3 = 1.0*CO2 + 1.0*HCHO + 1.0*MECO3 + 0.786*RO2C + 0.420*HO2 + 0.531*NO2 + 0.048*RCO3 + 0.022*CO + 0.043*HCHO + 0.004*HOCCHO + 0.746*RCHO + 0.443*ACETONE + 0.009*MACR + 0.002*MVK + 0.007*IPRD + 0.422*MTNO3 + 0.047*XN + 1.917*XC | 1.0*K<BR25> | Pye 2015 | |
<BL19k> | TERPNRO2 + IMACO3 = 1.0*CO2 + 1.0*HCHO + 1.0*MECO3 + 0.786*RO2C + 0.420*HO2 + 0.531*NO2 + 0.048*RCO3 + 0.022*CO + 0.043*HCHO + 0.004*HOCCHO + 0.746*RCHO + 0.443*ACETONE + 0.009*MACR + 0.002*MVK + 0.007*IPRD + 0.422*MTNO3 + 0.047*XN + 1.917*XC | 1.0*K<BR25> | Pye 2015 | |
<BL19> | TERP + O3P = 0.237*RCHO + 0.763*PRD2 + TRPRXN + 4.711*XC | 4.02e-11 | ||
<BT19> | SESQ + OH = 0.734*xHO2 + 0.064*xRCO3 + 1.211*RO2C + 0.201*RO2XC + 0.201*zRNO3 + 0.001*xCO + 0.411*xHCHO + 0.385*xRCHO + 0.037*xACETONE + 0.007*xMEK + 0.003*xMGLY + 0.009*xBACL + 0.003*xMVK + 0.002*xIPRD + 0.409*xPROD2 + yR6OOH + SESQRXN + 9.375*XC | 1.0*K<BL16> | ||
<BT20> | SESQ + O3 = 0.078*HO2 + 0.046*xHO2 + 0.499*OH + 0.202*xMECO3 + 0.059*xRCO3 + 0.49*RO2C + 0.121*RO2XC + 0.121*zRNO3 + 0.249*CO + 0.063*CO2 + 0.127*HCHO + 0.033*xHCHO + 0.208*xRCHO + 0.057*xACETONE + 0.002*MEK + 0.172*HCOOH + 0.068*RCOOH + 0.003*xMGLY + 0.039*xBACL + 0.002*xMACR + 0.001*xIPRD + 0.502*PRD2 + 0.428*yR6OOH + SESQRXN + 8.852*XC | 1.0*K<BL17> | ||
<BT21> | SESQ + NO3 = 0.227*xHO2 + 0.287*xNO2 + 0.026*xRCO3 + 1.786*RO2C + 0.46*RO2XC + 0.46*zRNO3 + 0.012*xCO + 0.023*xHCHO + 0.002*xCCHO + 0.403*xRCHO + 0.239*xACETONE + 0.005*xMACR + 0.001*xMVK + 0.004*xIPRD + 0.228*xRNO3 + yR6OOH + SESQRXN + 0.485*XN + 8.785*XC | 1.0*K<BL18> | ||
<BT22> | SESQ + O3P = 0.237*RCHO + 0.763*PRD2 + SESQRXN + 9.711*XC | 1.0*K<BL19> | ||
<CI01> | CL2 = 2*CL | 1.0/<CL2> | ||
<CI02> | CL + NO + M = CLNO | 7.60e-32*(T/300)(-1.80) | ||
<CI03> | CLNO = CL + NO | 1.0/<CLNO_06> | ||
<CI04> | CL + NO2 = CLONO | k0=1.30e-30*(T/300)(-2.00), kinf=1.00e-10*(T/300)(-1.00), F=0.60, n=1.0 | ||
<CI05> | CL + NO2 = CLNO2 | k0=1.80e-31*(T/300)(-2.00), kinf=1.00e-10*(T/300)(-1.00), F=0.60, n=1.0 | ||
<CI06> | CLONO = CL + NO2 | 1.0/<CLONO> | ||
<CI07> | CLNO2 = CL + NO2 | 1.0/<CLNO2> | ||
<CI08> | CL + HO2 = HCL | 3.44e-11*(T/300)(-0.56) | ||
<CI09> | CL + HO2 = CLO + OH | 9.41e-12*(T/300)(2.10) | ||
<CI10> | CL + O3 = CLO | 2.80e-11*exp(-250/T) | ||
<CI11> | CL + NO3 = CLO + NO2 | 2.40e-11 | ||
<CI12> | CLO + NO = CL + NO2 | 6.20e-12*exp(295/T) | ||
<CI13> | CLO + NO2 = CLONO2 | k0=1.80e-31*(T/300)(-3.40), kinf=1.50e-11*(T/300)(-1.90), F=0.60, n=1.0 | ||
<CI14> | CLONO2 = CLO + NO2 | 1.0/<CLONO2_1> | ||
<CI15> | CLONO2 = CL + NO3 | 1.0/<CLONO2_2> | ||
<CI16> | CLONO2 = CLO + NO2 | k0=4.48e-05*(T/300)(-1.00)*exp(-12530/T), kinf=3.71e15*(T/300)(3.50)*exp(-12530/T), F=0.60, n=1.0 | ||
<CI17> | CL + CLONO2 = CL2 + NO3 | 6.20e-12*exp(145/T) | ||
<CI18> | CLO + HO2 = HOCL | 2.20e-12*exp(340/T) | ||
<CI19> | HOCL = OH + CL | 1.0/<HOCL_06> | ||
<CI20> | CLO + CLO = 0.29*CL2 + 1.42*CL | 1.25e-11*exp(-1960/T) | ||
<CI21> | OH + HCL = CL | 1.70e-12*exp(-230/T) | ||
<CI22> | CL + H2 = HCL + HO2 | 3.90e-11*exp(-2310/T) | ||
<CP01> | HCHO + CL = HCL + HO2 + CO | 8.10e-11*exp(-30/T) | ||
<CP02> | CCHO + CL = HCL + MECO3 | 8.00e-11 | ||
<CP03> | MEOH + CL = HCL + HCHO + HO2 | 5.50e-11 | ||
<CP04> | RCHO + CL = HCL + 0.9*RCO3 + 0.1*RO2C + 0.1*xCCHO + 0.1*xCO + 0.1*xHO2 + 0.1*yROOH | 1.23e-10 | ||
<CP05> | ACETONE + CL = HCL + RO2C + xHCHO + xMECO3 + yROOH | 7.70e-11*exp(-1000/T) | ||
<CP06> | MEK + CL = HCL + 0.975*RO2C + 0.039*RO2XC + 0.039*zRNO3 + 0.84*xHO2 + 0.085*xMECO3 + 0.036*xRCO3 + 0.065*xHCHO + 0.07*xCCHO + 0.84*xRCHO + yROOH + 0.763*XC | 3.60e-11 | ||
<CP07> | RNO3 + CL = HCL + 0.038*NO2 + 0.055*HO2 + 1.282*RO2C + 0.202*RO2XC + 0.202*zRNO3 + 0.009*RCHO + 0.018*MEK + 0.012*PRD2 + 0.055*RNO3 + 0.159*xNO2 + 0.547*xHO2 + 0.045*xHCHO + 0.3*xCCHO + 0.02*xRCHO + 0.003*xACETONE + 0.041*xMEK + 0.046*xPROD2 + 0.547*xRNO3 + 0.908*yR6OOH + 0.201*XN-0.149*XC | 1.92e-10 | ||
<CP08> | PRD2 + CL = HCL + 0.314*HO2 + 0.68*RO2C + 0.116*RO2XC + 0.116*zRNO3 + 0.198*RCHO + 0.116*PRD2 + 0.541*xHO2 + 0.007*xMECO3 + 0.022*xRCO3 + 0.237*xHCHO + 0.109*xCCHO + 0.591*xRCHO + 0.051*xMEK + 0.04*xPROD2 + 0.686*yR6OOH + 1.262*XC | 2.00e-10 | ||
<CP09> | GLY + CL = HCL + 0.63*HO2 + 1.26*CO + 0.37*RCO3-0.37*XC | 8.10e-11*exp(-30/T) | ||
<CP10> | MGLY + CL = HCL + CO + MECO3 | 8.00e-11 | ||
<CP11> | CRES + CL = HCL + xHO2 + xBALD + yR6OOH | 6.20e-11 | ||
<CP12> | BALD + CL = HCL + BZCO3 | 8.00e-11 | ||
<CP13> | ROOH + CL = HCL + 0.414*OH + 0.588*RO2C + 0.414*RCHO + 0.104*xOH + 0.482*xHO2 + 0.106*xHCHO + 0.104*xCCHO + 0.197*xRCHO + 0.285*xMEK + 0.586*yROOH-0.287*XC | 1.66e-10 | ||
<CP14> | R6OOH + CL = HCL + 0.145*OH + 1.078*RO2C + 0.117*RO2XC + 0.117*zRNO3 + 0.145*PRD2 + 0.502*xOH + 0.237*xHO2 + 0.186*xCCHO + 0.676*xRCHO + 0.28*xPROD2 + 0.855*yR6OOH + 0.348*XC | 3.00e-10 | ||
<CP15> | RAOOH + CL = 0.404*HCL + 0.139*OH + 0.148*HO2 + 0.589*RO2C + 0.124*RO2XC + 0.124*zRNO3 + 0.074*PRD2 + 0.147*MGLY + 0.139*IPRD + 0.565*xHO2 + 0.024*xOH + 0.448*xRCHO + 0.026*xGLY + 0.03*xMEK + 0.252*xMGLY + 0.073*xAFG1 + 0.073*xAFG2 + 0.713*yR6OOH + 2.674*XC | 4.29e-10 | ||
<TP01> | ACROLEIN + CL = 0.484*xHO2 + 0.274*xCL + 0.216*MACO3 + 1.032*RO2C + 0.026*RO2XC + 0.026*zRNO3 + 0.216*HCL + 0.484*xCO + 0.274*xHCHO + 0.274*xGLY + 0.484*xCLCCHO + 0.784*yROOH-0.294*XC | 2.94e-10 | ||
<CP17> | MVK + CL = 1.283*RO2C + 0.053*RO2XC + 0.053*zRNO3 + 0.322*xHO2 + 0.625*xMECO3 + 0.947*xCLCCHO + yROOH + 0.538*XC | 2.32e-10 | ||
<CP18> | IPRD + CL = 0.401*HCL + 0.084*HO2 + 0.154*MACO3 + 0.73*RO2C + 0.051*RO2XC + 0.051*zRNO3 + 0.042*AFG1 + 0.042*AFG2 + 0.712*xHO2 + 0.498*xCO + 0.195*xHCHO + 0.017*xMGLY + 0.009*xAFG1 + 0.009*xAFG2 + 0.115*xIPRD + 0.14*xCLCCHO + 0.42*xCLACET + 0.762*yR6OOH + 0.709*XC | 4.12e-10 | ||
<CP19> | CLCCHO = HO2 + CO + RO2C + xCL + xHCHO + yROOH | 1.0/<CLCCHO> | ||
<CP20> | CLCCHO + OH = RCO3-1*XC | 3.10e-12 | ||
<CP21> | CLCCHO + CL = HCL + RCO3-1*XC | 1.29e-11 | ||
<CP22> | CLACET = MECO3 + RO2C + xCL + xHCHO + yROOH | 5.00e-1/<CLACET> | ||
<CP29> | xCL + NO = NO + CL | 1.0*K<BR07> | ||
<CP30> | xCL + HO2 = HO2 | 1.0*K<BR08> | ||
<CP31> | xCL + NO3 = NO3 + CL | 1.0*K<BR09> | ||
<CP32> | xCL + MEO2 = MEO2 + 0.5*CL | 1.0*K<BR10> | ||
<CP33> | xCL + RO2C = RO2C + 0.5*CL | 1.0*K<BR11> | ||
<CP34> | xCL + RO2XC = RO2XC + 0.5*CL | 1.0*K<BR11> | ||
<CP35> | xCL + MECO3 = MECO3 + CL | 1.0*K<BR25> | ||
<CP36> | xCL + RCO3 = RCO3 + CL | 1.0*K<BR25> | ||
<CP37> | xCL + BZCO3 = BZCO3 + CL | 1.0*K<BR25> | ||
<CP38> | xCL + MACO3 = MACO3 + CL | 1.0*K<BR25> | ||
<CP39> | xCLCCHO + NO = NO + CLCCHO | 1.0*K<BR07> | ||
<CP40> | xCLCCHO + HO2 = HO2 + 2*XC | 1.0*K<BR08> | ||
<CP41> | xCLCCHO + NO3 = NO3 + CLCCHO | 1.0*K<BR09> | ||
<CP42> | xCLCCHO + MEO2 = MEO2 + 0.5*CLCCHO + XC | 1.0*K<BR10> | ||
<CP43> | xCLCCHO + RO2C = RO2C + 0.5*CLCCHO + XC | 1.0*K<BR11> | ||
<CP44> | xCLCCHO + RO2XC = RO2XC + 0.5*CLCCHO + XC | 1.0*K<BR11> | ||
<CP45> | xCLCCHO + MECO3 = MECO3 + CLCCHO | 1.0*K<BR25> | ||
<CP46> | xCLCCHO + RCO3 = RCO3 + CLCCHO | 1.0*K<BR25> | ||
<CP47> | xCLCCHO + BZCO3 = BZCO3 + CLCCHO | 1.0*K<BR25> | ||
<CP48> | xCLCCHO + MACO3 = MACO3 + CLCCHO | 1.0*K<BR25> | ||
<CP49> | xCLACET + NO = NO + CLACET | 1.0*K<BR07> | ||
<CP50> | xCLACET + HO2 = HO2 + 3*XC | 1.0*K<BR08> | ||
<CP51> | xCLACET + NO3 = NO3 + CLACET | 1.0*K<BR09> | ||
<CP52> | xCLACET + MEO2 = MEO2 + 0.5*CLACET + 1.5*XC | 1.0*K<BR10> | ||
<CP53> | xCLACET + RO2C = RO2C + 0.5*CLACET + 1.5*XC | 1.0*K<BR11> | ||
<CP54> | xCLACET + RO2XC = RO2XC + 0.5*CLACET + 1.5*XC | 1.0*K<BR11> | ||
<CP55> | xCLACET + MECO3 = MECO3 + CLACET | 1.0*K<BR25> | ||
<CP56> | xCLACET + RCO3 = RCO3 + CLACET | 1.0*K<BR25> | ||
<CP57> | xCLACET + BZCO3 = BZCO3 + CLACET | 1.0*K<BR25> | ||
<CP58> | xCLACET + MACO3 = MACO3 + CLACET | 1.0*K<BR25> | ||
<CE01> | CH4 + CL = HCL + MEO2 | 7.30e-12*exp(-1280/T) | ||
<CE02> | ETHENE + CL = xHO2 + 2*RO2C + xHCHO + CLCHO | k0=1.60e-29*(T/300)(-3.30), kinf=3.10e-10*(T/300)(-1.00), F=0.60, n=1.0 | ||
<TE01> | PROPENE + CL = 0.124*HCL + 0.971*xHO2 + 0.971*RO2C + 0.029*RO2XC + 0.029*zRNO3 + 0.124*xACROLEIN + 0.306*xCLCCHO + 0.54*xCLACET + yROOH + 0.222*XC | 2.67e-10 | ||
<TE02> | BUTADIENE13 + CL = 0.39*xHO2 + 0.541*xCL + 1.884*RO2C + 0.069*RO2XC + 0.069*zRNO3 + 0.863*xHCHO + 0.457*xACROLEIN + 0.473*xIPRD + yROOH-1.013*XC | 4.90e-10 | ||
<CE03> | ISOPRENE + CL = 0.15*HCL + 0.738*xHO2 + 0.177*xCL + 1.168*RO2C + 0.085*RO2XC + 0.085*zRNO3 + 0.275*xHCHO + 0.177*xMVK + 0.671*xIPRD + 0.067*xCLCCHO + yR6OOH + 0.018*XC | 4.80e-10 | ||
<TE03> | APIN + CL = 0.548*HCL + 0.252*xHO2 + 0.068*xCL + 0.034*xMECO3 + 0.05*xRCO3 + 0.016*xMACO3 + 2.258*RO2C + 0.582*RO2XC + 0.582*zRNO3 + 0.035*xCO + 0.158*xHCHO + 0.185*xRCHO + 0.274*xACETONE + 0.007*xGLY + 0.003*xBACL + 0.003*xMVK + 0.158*xIPRD + 0.006*xAFG1 + 0.006*xAFG2 + 0.001*xAFG3 + 0.109*xCLCCHO + yR6OOH + 3.543*XC | 5.46e-10 | ||
<CE04> | ACETYLENE + CL = HO2 + CO + XC | k0=5.20e-30*(T/300)(-2.40), kinf=2.20e-10, F=0.60, n=1.0 | ||
<TE04> | TOLUENE + CL = 0.894*xHO2 + 0.894*RO2C + 0.106*RO2XC + 0.106*zRNO3 + 0.894*xBALD + 0.106*XC | 6.20e-11 | ||
<TE05> | MXYL + CL = 0.864*xHO2 + 0.864*RO2C + 0.136*RO2XC + 0.136*zRNO3 + 0.864*xBALD + 1.136*XC | 1.35e-10 | ||
<TE06> | OXYL + CL = 0.864*xHO2 + 0.864*RO2C + 0.136*RO2XC + 0.136*zRNO3 + 0.864*xBALD + 1.136*XC | 1.40e-10 | ||
<TE07> | PXYL + CL = 0.864*xHO2 + 0.864*RO2C + 0.136*RO2XC + 0.136*zRNO3 + 0.864*xBALD + 1.136*XC | 1.44e-10 | ||
<TE08> | TMBENZ124 + CL = 0.838*xHO2 + 0.838*RO2C + 0.162*RO2XC + 0.162*zRNO3 + 0.838*xBALD + 2.162*XC | 2.42e-10 | ||
<TE09> | ETOH + CL = HCL + 0.688*HO2 + 0.312*xHO2 + 0.312*RO2C + 0.503*xHCHO + 0.688*CCHO + 0.061*xHOCCHO + 0.312*yROOH-0.001*XC | 8.60e-11*exp(45/T) | ||
<BC01> | ALK1 + CL = HCL + xHO2 + RO2C + xCCHO + yROOH | 8.30e-11*exp(-100/T) | ||
<BC02> | ALK2 + CL = HCL + 0.97*xHO2 + 0.97*RO2C + 0.03*RO2XC + 0.03*zRNO3 + 0.482*xRCHO + 0.488*xACETONE + yROOH-0.09*XC | 1.20e-10*exp(40/T) | ||
<BC03> | ALK3 + CL = HCL + 0.835*xHO2 + 0.094*xTBUO + 1.361*RO2C + 0.07*RO2XC + 0.07*zRNO3 + 0.078*xHCHO + 0.34*xCCHO + 0.343*xRCHO + 0.075*xACETONE + 0.253*xMEK + 0.983*yROOH + 0.017*yR6OOH + 0.18*XC | 1.86e-10 | ||
<BC04> | ALK4 + CL = HCL + 0.827*xHO2 + 0.003*xMEO2 + 0.004*xMECO3 + 1.737*RO2C + 0.165*RO2XC + 0.165*zRNO3 + 0.003*xCO + 0.034*xHCHO + 0.287*xCCHO + 0.412*xRCHO + 0.247*xACETONE + 0.076*xMEK + 0.13*xPROD2 + yR6OOH + 0.327*XC | 2.63e-10 | ||
<BC05> | ALK5 + CL = HCL + 0.647*xHO2 + 1.541*RO2C + 0.352*RO2XC + 0.352*zRNO3 + 0.022*xHCHO + 0.08*xCCHO + 0.258*xRCHO + 0.044*xACETONE + 0.041*xMEK + 0.378*xPROD2 + yR6OOH + 2.368*XC | 4.21e-10 | ||
<BC06> | OLE1 + CL = 0.384*HCL + 0.873*xHO2 + 1.608*RO2C + 0.127*RO2XC + 0.127*zRNO3 + 0.036*xHCHO + 0.206*xCCHO + 0.072*xRCHO + 0.215*xACROLEIN + 0.019*xMVK + 0.038*xIPRD + 0.192*xCLCCHO + 0.337*xCLACET + 0.169*yROOH + 0.831*yR6OOH + 1.268*XC | 3.92e-10 | ||
<BC07> | OLE2 + CL = 0.279*HCL + 0.45*xHO2 + 0.442*xCL + 0.001*xMEO2 + 1.492*RO2C + 0.106*RO2XC + 0.106*zRNO3 + 0.19*xHCHO + 0.383*xCCHO + 0.317*xRCHO + 0.086*xACETONE + 0.042*xMEK + 0.025*xMACR + 0.058*xMVK + 0.161*xIPRD + 0.013*xCLCCHO + 0.191*xCLACET + 0.319*yROOH + 0.681*yR6OOH + 0.294*XC | 3.77e-10 | ||
<BC08> | ARO1 + CL = 0.84*xHO2 + 0.84*RO2C + 0.16*RO2XC + 0.16*zRNO3 + 0.84*xPROD2 + XC | 2.16e-10 | ||
<BC09a> | ARO2MN + CL = 0.828*xHO2 + 0.828*RO2C + 0.172*RO2XC + 0.172*zRNO3 + 0.469*xBALD + 0.359*xPROD2 + 2.531*XC | 2.66e-10 | ARO2-->ARO2MN | |
<BC09b> | NAPHTHAL + CL = 0.828*xHO2 + 0.828*RO2C + 0.172*RO2XC + 0.172*zRNO3 + 0.469*xBALD + 0.359*xPROD2 + 2.531*XC | 2.66e-10 | behaves like ARO2 | |
<BC10> | TERP + CL = 0.548*HCL + 0.252*xHO2 + 0.068*xCL + 0.034*xMECO3 + 0.05*xRCO3 + 0.016*xMACO3 + 2.258*RO2C + 0.582*RO2XC + 0.582*zRNO3 + 0.035*xCO + 0.158*xHCHO + 0.185*xRCHO + 0.274*xACETONE + 0.007*xGLY + 0.003*xBACL + 0.003*xMVK + 0.158*xIPRD + 0.006*xAFG1 + 0.006*xAFG2 + 0.001*xAFG3 + 0.109*xCLCCHO + yR6OOH + 3.543*XC | 5.46e-10 | ||
<BC11> | SESQ + CL = 0.252*xHO2 + 0.068*xCL + 0.034*xMECO3 + 0.05*xRCO3 + 0.016*xMACO3 + 2.258*RO2C + 0.582*RO2XC + 0.582*zRNO3 + 0.548*HCL + 0.035*xCO + 0.158*xHCHO + 0.185*xRCHO + 0.274*xACETONE + 0.007*xGLY + 0.003*xBACL + 0.003*xMVK + 0.158*xIPRD + 0.006*xAFG1 + 0.006*xAFG2 + 0.001*xAFG3 + 0.109*xCLCCHO + yR6OOH + 8.543*XC | 1.0*K<BC10> | ||
<AE51> | BENZRO2 + NO = NO + BNZNRXN | 1.0*K<BR07> | ||
<AE52> | BENZRO2 + HO2 = HO2 + BNZHRXN | 1.0*K<BR08> | ||
<AE53> | XYLRO2 + NO = NO + XYLNRXN | 1.0*K<BR07> | ||
<AE54> | XYLRO2 + HO2 = HO2 + XYLHRXN | 1.0*K<BR08> | ||
<AE55> | TOLRO2 + NO = NO + TOLNRXN | 1.0*K<BR07> | ||
<AE56> | TOLRO2 + HO2 = HO2 + TOLHRXN | 1.0*K<BR08> | ||
<AE57> | PAHRO2 + NO = NO + PAHNRXN | 1.0*K<BR07> | High-NOx SOA | Pye 2012 |
<AE58> | PAHRO2 + HO2 = HO2 + PAHHRXN | 1.0*K<BR08> | Low-NOx SOA | Pye 2012 |
<TR01> | HCHO_PRIMARY = | 1.0/<HCHOR_06> | ||
<TR02> | HCHO_PRIMARY = | 1.0/<HCHOM_06> | ||
<TR03> | HCHO_PRIMARY + OH = OH | 5.40e-12*exp(135/T) | ||
<TR05> | HCHO_PRIMARY + NO3 = NO3 | 2.00e-12*exp(-2431/T) | ||
<TR06> | HCHO_PRIMARY + CL = CL | 8.10e-11*exp(-30/T) | ||
<TR07> | CCHO_PRIMARY + OH = OH | 4.40e-12*exp(365/T) | ||
<TR08> | CCHO_PRIMARY = | 1.0/<CCHO_R> | ||
<TR09> | CCHO_PRIMARY + NO3 = NO3 | 1.40e-12*exp(-1860/T) | ||
<TR10> | CCHO_PRIMARY + CL = CL | 8.00e-11 | ||
<TR11> | ACRO_PRIMARY + OH = OH | 1.99e-11 | ||
<TR12> | ACRO_PRIMARY + O3 = O3 | 1.40e-15*exp(-2528/T) | ||
<TR13> | ACRO_PRIMARY + NO3 = NO3 | 1.18e-15 | ||
<TR14> | ACRO_PRIMARY + O3P = O3P | 2.37e-12 | ||
<TR15> | ACRO_PRIMARY = | 1.0/<ACRO_09> | ||
<TR16> | ACRO_PRIMARY + CL = CL | 2.94e-10 | ||
<IS1> | ISOPRENE + OH = ISOPO2 + ISOPRXN | 2.54e-11*exp(410/T) | ||
<IS2> | ISOPO2 + NO = 0.40*MVK + 0.26*MACR + 0.883*NO2 + 0.07*ISOPND + 0.047*ISOPNB + 0.66*HCHO + 0.10*HC5 + 0.043*ARO2MN + 0.08*DIBOO + 0.803*HO2 | 2.60e-12*exp(380/T) | ARO2-->ARO2MN | |
<IS3> | ISOPO2 + HO2 = 0.880*ISOPOOH + 0.120*OH + 0.047*MACR + 0.073*MVK + 0.120*HO2 + 0.120*HCHO | 2.06e-13*exp(1300/T) | ||
<IS4> | ISOPO2 + MEO2 = 0.45*HO2 + 0.37*HCHO + 0.23*MVK + 0.15*MACR + 0.05*DIBOO + 0.06*HC5 + 0.02*ARO2MN + 0.5*PRD2 + 0.5*HCHO + 0.5*HO2 + 0.25*HCHO + 0.25*MEOH-0.62*XC | 1.80e-12 | ARO2-->ARO2MN | |
<IS5> | ISOPO2 + RO2C = 0.45*HO2 + 0.37*HCHO + 0.23*MVK + 0.15*MACR + 0.05*DIBOO + 0.06*HC5 + 0.02*ARO2MN + 0.5*PRD2-0.62*XC | 6.80e-13 | ARO2-->ARO2MN | |
<IS6> | ISOPO2 + ISOPO2 = 0.91*HO2 + 0.75*HCHO + 0.45*MVK + 0.29*MACR + 0.09*DIBOO + 0.11*HC5 + 0.05*ARO2MN + PRD2-1.24*XC | 2.30e-12 | ARO2-->ARO2MN | |
<IS7> | ISOPO2 + MECO3 = MEO2 + CO2 + 0.91*HO2 + 0.75*HCHO + 0.45*MVK + 0.29*MACR + 0.09*DIBOO + 0.11*HC5 + 0.05*ARO2MN-0.16*XC | 4.40e-13*exp(1070/T) | ARO2-->ARO2MN | |
<IS107> | ISOPO2 = HO2 + HPALD | 4.07e8*exp(-7694/T) | ||
<IS137> | HPALD = OH + HO2 + 0.5*HACET + 0.5*MGLY + 0.25*HOCCHO + 0.25*GLY + HCHO | 1.0/<HPALD> | ||
<IS138> | HPALD + OH = OH + PRD2-XC | 4.60e-11 | ||
<IS9> | ISOPRENE + NO3 = NISOPO2 | 3.03e-12*exp(-448/T) | ||
<IS10> | NISOPO2 + NO3 = 0.70*NIT1 + 0.035*MVK + 0.035*MACR + 1.3*NO2 + 0.80*HO2 + 0.070*HCHO + 0.23*HC5 | 2.30e-12 | ||
<IS11> | NISOPO2 + NO = 0.70*NIT1 + 0.035*MVK + 0.035*MACR + 1.3*NO2 + 0.80*HO2 + 0.070*HCHO + 0.23*HC5 | 2.60e-12*exp(380/T) | ||
<IS12> | NISOPO2 + HO2 = NISOPOOH | 2.06e-13*exp(1300/T) | ||
<IS13> | NISOPO2 + MEO2 = 0.35*NIT1 + 0.0175*MVK + 0.0175*MACR + 0.15*NO2 + 0.40*HO2 + 0.035*HCHO + 0.115*HC5 + 0.25*NIT1 + 0.25*ISOPND + 0.5*HCHO + 0.5*HO2 + 0.25*HCHO + 0.25*MEOH | 1.30e-12 | ||
<IS14> | NISOPO2 + RO2C = 0.35*NIT1 + 0.0175*MVK + 0.0175*MACR + 0.15*NO2 + 0.40*HO2 + 0.035*HCHO + 0.115*HC5 + 0.25*NIT1 + 0.25*ISOPND | 6.04e-13 | ||
<IS140> | NISOPO2 + NISOPO2 = 0.70*NIT1 + 0.035*MVK + 0.035*MACR + 0.3*NO2 + 0.80*HO2 + 0.070*HCHO + 0.23*HC5 + 0.5*NIT1 + 0.5*ISOPND | 1.20e-12 | ||
<IS15> | NISOPO2 + MECO3 = MEO2 + CO2 + 0.70*NIT1 + 0.035*MVK + 0.035*MACR + 0.3*NO2 + 0.80*HO2 + 0.070*HCHO + 0.23*HC5 | 4.40e-13*exp(1070/T) | ||
<IS17> | HC5 + OH = HC5OO | 1.42e-11*exp(610/T) | ||
<IS18> | HC5OO + NO = NO2 + 0.234*HOCCHO + 0.234*MGLY + 0.216*GLY + 0.216*HACET + 0.29*DHMOB + 0.17*RCOOH + 0.09*PRD2 + 0.09*CO + HO2 + 0.16*XC | 2.60e-12*exp(380/T) | ||
<IS19> | HC5OO + HO2 = R6OOH-XC | 2.06e-13*exp(1300/T) | ||
<IS20> | HC5OO + MEO2 = 0.117*HOCCHO + 0.117*MGLY + 0.108*GLY + 0.108*HACET + 0.145*DHMOB + 0.085*RCOOH + 0.045*PRD2 + 0.045*CO + 0.5*HO2 + 0.5*PRD2 + 0.25*HCHO + 0.25*MEOH + 0.5*HO2 + 0.5*HCHO-0.42*XC | 2.00e-13 | ||
<IS21> | HC5OO + RO2C = 0.117*HOCCHO + 0.117*MGLY + 0.108*GLY + 0.108*HACET + 0.145*DHMOB + 0.085*RCOOH + 0.045*PRD2 + 0.045*CO + 0.5*HO2 + 0.5*PRD2-0.42*XC | 3.50e-14 | ||
<IS22> | HC5OO + MECO3 = MEO2 + CO2 + 0.234*HOCCHO + 0.234*MGLY + 0.216*GLY + 0.216*HACET + 0.29*DHMOB + 0.17*RCOOH + 0.09*PRD2 + 0.09*CO + HO2 + 0.16*XC | 4.40e-13*exp(1070/T) | ||
<IS24> | HC5 + O3 = 0.50*MGLY + 0.35*GLY + 0.79*OH + 0.02*HCHO + 0.35*HOCCHO + 0.59*CO + 0.15*HACET + 0.13*RCOOH + 0.08*CO2 + 0.6*HO2 + 0.35*MECO3-0.13*XC | 3.94-15*exp(-1520/T) | ||
<IS25> | ISOPND + OH = ISOPNOOD | 1.20e-11*exp(652/T) | rate constant updated | Lee 2014 |
<IS26> | ISOPNOOD + NO = 0.34*PRD2 + 0.15*PROPNN + 0.44*HACET + 0.07*MVKN + 0.13*ETHLN + 0.31*HCOOH + 0.31*NO3 + 0.72*HCHO + 0.15*HOCCHO + 1.34*NO2 + 0.35*HO2-0.68*XC | 2.40e-12*exp(360/T) | rate constant updated | Lee 2014 |
<IS141> | ISOPNOOD + HO2 = RNO3I-XC | 2.06e-13*exp(1300/T) | ||
<IS142> | ISOPNOOD + MEO2 = 0.17*PRD2 + 0.075*PROPNN + 0.22*HACET + 0.035*MVKN + 0.065*ETHLN + 0.155*HCOOH + 0.155*NO3 + 0.36*HCHO + 0.075*HOCCHO + 0.17*NO2 + 0.175*HO2 + 0.5*RNO3I + 0.25*HCHO + 0.25*MEOH + 0.5*HO2 + 0.5*HCHO-0.84*XC | 2.00e-13 | ||
<IS143> | ISOPNOOD + RO2C = 0.17*PRD2 + 0.075*PROPNN + 0.22*HACET + 0.035*MVKN + 0.065*ETHLN + 0.155*HCOOH + 0.155*NO3 + 0.36*HCHO + 0.075*HOCCHO + 0.17*NO2 + 0.175*HO2 + 0.5*RNO3I-0.84*XC | 3.50e-14 | ||
<IS144> | ISOPNOOD + MECO3 = MEO2 + CO2 + 0.34*PRD2 + 0.15*PROPNN + 0.44*HACET + 0.07*MVKN + 0.13*ETHLN + 0.31*HCOOH + 0.31*NO3 + 0.72*HCHO + 0.15*HOCCHO + 0.34*NO2 + 0.35*HO2-0.68*XC | 4.40e-13*exp(1070/T) | ||
<IS27> | ISOPND + O3 = 0.36*ETHLN + 0.29*PROPNN + 0.70*MGLY + 0.12*RCOOH + 0.39*HO2 + 0.038*HCHO + 0.029*CO + 0.73*OH + 0.017*CO2 + 0.36*NO2 + 0.16*HACET + 0.34*HOCCHO-0.26*XC | 2.90e-17 | ||
<IS28> | ISOPNB + OH = ISOPNOOB | 2.4e-12*exp(745/T) | rate constant updated | Lee 2014 |
<IS29> | ISOPNOOB + NO = 0.6*HOCCHO + 0.6*HACET + 0.4*HCHO + 0.4*HO2 + 0.26*MACRN + 0.14*MVKN + 1.6*NO2 | 2.40e-12*exp(360/T) | rate constant updated | Lee 2014 |
<IS145> | ISOPNOOB + HO2 = RNO3I-XC | 2.06e-13*exp(1300/T) | ||
<IS146> | ISOPNOOB + MEO2 = 0.3*HOCCHO + 0.3*HACET + 0.2*HCHO + 0.2*HO2 + 0.13*MACRN + 0.07*MVKN + 0.3*NO2 + 0.5*RNO3I + 0.25*HCHO + 0.25*MEOH + 0.5*HO2 + 0.5*HCHO-0.5*XC | 2.00e-13 | ||
<IS147> | ISOPNOOB + RO2C = 0.3*HOCCHO + 0.3*HACET + 0.2*HCHO + 0.2*HO2 + 0.13*MACRN + 0.07*MVKN + 0.3*NO2 + 0.5*RNO3I-0.5*XC | 3.50e-14 | ||
<IS148> | ISOPNOOB + MECO3 = MEO2 + CO2 + 0.6*HOCCHO + 0.6*HACET + 0.4*HCHO + 0.4*HO2 + 0.26*MACRN + 0.14*MVKN + 0.6*NO2 | 4.40e-13*exp(1070/T) | ||
<IS30> | ISOPNB + O3 = 0.12*MVKN + 0.32*MACRN + 0.34*OH + 0.08*HO2 + 0.26*CO + 0.07*CO2 + 0.16*HCOOH + 0.56*HCHO + 0.28*RNO3I + 0.04*HACET + 0.28*NO2 + 0.24*BACL-0.57*XC | 3.7e-19 | rate constant updated | Lee 2014 |
<IS31> | NIT1 + NO3 = 0.6*NIT1NO3OOA + 0.6*HNO3 + 0.4*NIT1NO3OOB | 3.15e-13*exp(-448/T) | ||
<IS32> | NIT1NO3OOA + NO3 = NO2 + PROPNN + CO + CO2 + HO2 | 4.00e-12 | PROPNNB-->PROPNN | Pye 2015 |
<IS34> | NIT1NO3OOA + NO = NO2 + PROPNN + CO + CO2 + HO2 | 1.0*K<BR31> | PROPNNB-->PROPNN | Pye 2015 |
<IS109> | NIT1NO3OOA + NO2 = MAPAN + XN + XC | 1.0*K<BR28> | ||
<IS36> | NIT1NO3OOA + HO2 = 0.75*RCOOOH + 0.25*RCOOH + 0.25*O3 + XN + 2*XC | 1.0*K<BR22> | ||
<IS38> | NIT1NO3OOA + RO2C = PROPNN + CO + CO2 + HO2 | 1.0*K<BR25> | PROPNNB-->PROPNN | Pye 2015 |
<IS40> | NIT1NO3OOA + MEO2 = PROPNN + CO + CO2 + HO2 + HCHO + HO2 | 1.0*K<BR24> | PROPNNB-->PROPNN | Pye 2015 |
<IS41> | NIT1NO3OOA + MECO3 = MEO2 + CO2 + PROPNN + CO + CO2 + HO2 | 1.0*K<BR27> | PROPNNB-->PROPNN | Pye 2015 |
<IS33> | NIT1NO3OOB + NO3 = ISOPNN + GLY + NO2 | 2.30e-12 | PROPNN-->ISOPNN | modified by Pye 2015 |
<IS35> | NIT1NO3OOB + NO = 0.94*ISOPNN + 0.94*GLY + 0.94*NO2 + 0.06*RNO3I-0.06*XC + 0.13*XN | 2.60e-12*exp(380/T) | PROPNN-->ISOPNN | modified by Pye 2015 |
<IS37> | NIT1NO3OOB + HO2 = RNO3I-XC + XN | 2.06e-13*exp(1300/T) | ||
<IS39> | NIT1NO3OOB + RO2C = 0.7*ISOPNN + 0.7*GLY + 0.3*RNO3I-0.3*XC + 0.3*XN | 3.50e-14 | PROPNN-->ISOPNN | modified by Pye 2015 |
<IS43> | NIT1NO3OOB + MEO2 = 0.7*ISOPNN + 0.7*GLY + 0.3*RNO3I + 0.25*HCHO + 0.25*MEOH + 0.5*HO2 + 0.5*HCHO-0.3*XC + 0.3*XN | 2.00e-13 | PROPNN-->ISOPNN | modified by Pye 2015 |
<IS44> | NIT1NO3OOB + MECO3 = MEO2 + CO2 + ISOPNN + GLY | 4.40e-13*exp(1070/T) | PROPNN-->ISOPNN | modified by Pye 2015 |
<IS46> | NIT1 + O3 = 0.3*PROPNN + 0.45*CO + 0.15*OH + 0.45*HO2 + 0.15*CO2 + 0.7*GLY + 0.7*OH + 0.7*NO2 + 0.7*MGLY | 4.15e-15*exp(-1520/T) | PROPNNB-->PROPNN | Pye 2015 |
<IS47> | NIT1 + OH = 0.345*NIT1NO3OOA + 0.655*NIT1OHOO | 7.48e-12*exp(410/T) | ||
<IS48> | NIT1OHOO + NO = 0.919*PROPNN + 0.919*GLY + 0.015*CO + 0.015*RNO3I + 0.934*NO2 + 0.934*HO2 + 0.066*RNO3I-0.096*XC + 0.066*XN | 2.60e-12*exp(380/T) | PROPNNB-->PROPNN | Pye 2015 |
<IS50> | NIT1OHOO + HO2 = R6OOH + XN-XC | 2.06e-13*exp(1300/T) | ||
<IS51> | NIT1OHOO + RO2C = 0.689*PROPNN + 0.689*GLY + 0.011*CO + 0.011*RNO3I + 0.7*HO2 + 0.3*RNO3I-0.323*XC | 3.50e-14 | PROPNNB-->PROPNN | Pye 2015 |
<IS52> | NIT1OHOO + MEO2 = 0.689*PROPNN + 0.689*GLY + 0.011*CO + 0.011*RNO3I + 0.7*HO2 + 0.3*RNO3I + 0.25*HCHO + 0.25*MEOH + 0.50*HCHO + 0.50*HO2-0.323*XC | 2.00e-13 | PROPNNB-->PROPNN | Pye 2015 |
<IS53> | NIT1OHOO + MECO3 = MEO2 + CO2 + 0.984*PROPNN + 0.984*GLY + 0.016*CO + 0.016*RNO3I + HO2-0.033*XC | 4.40e-13*exp(1070/T) | PROPNNB-->PROPNN | Pye 2015 |
<IS55> | DIBOO + NO = NO2 + HO2 + 0.52*HOCCHO + 0.52*MGLY + 0.48*GLY + 0.48*HACET | 2.60e-12*exp(380/T) | ||
<IS102> | DIBOO + HO2 = R6OOH-XC | 2.06e-13*exp(1300/T) | ||
<IS103> | DIBOO + MEO2 = 0.5*HO2 + 0.26*HOCCHO + 0.26*MGLY + 0.24*GLY + 0.24*HACET + 0.5*PRD2 + 0.25*HCHO + 0.25*MEOH + 0.5*HCHO + 0.50*HO2-0.5*XC | 2.00e-13 | ||
<IS104> | DIBOO + RO2C = 0.5*HO2 + 0.26*HOCCHO + 0.26*MGLY + 0.24*GLY + 0.24*HACET + 0.5*PRD2-0.5*XC | 3.50e-14 | ||
<IS105> | DIBOO + MECO3 = HO2 + 0.52*HOCCHO + 0.52*MGLY + 0.48*GLY + 0.48*HACET + MEO2 + CO2 | 4.40e-13*exp(1070/T) | ||
<IS56> | MVK + OH = MVKOO | 2.60e-12*exp(610/T) | ||
<IS57> | MVKOO + NO = 0.625*HOCCHO + 0.625*MECO3 + 0.265*MGLY + 0.265*HCHO + 0.265*HO2 + 0.11*MVKN + 0.89*NO2 | 2.60e-12*exp(380/T) | ||
<IS58> | MVKOO + HO2 = ROOH + XC | 1.82e-13*exp(1300/T) | ||
<IS59> | MVKOO + MEO2 = 0.35*HOCCHO + 0.35*MECO3 + 0.15*MGLY + 0.15*HCHO + 0.15*HO2 + 0.5*MEK + 0.25*HCHO + 0.25*MEOH + 0.5*HCHO + 0.50*HO2 | 2.00e-13 | ||
<IS60> | MVKOO + RO2C = 0.35*HOCCHO + 0.35*MECO3 + 0.15*MGLY + 0.15*HCHO + 0.15*HO2 + 0.5*MEK | 3.50e-14 | ||
<IS61> | MVKOO + MECO3 = MEO2 + CO2 + 0.7*HOCCHO + 0.7*MECO3 + 0.3*MGLY + 0.3*HCHO + 0.3*HO2 | 4.40e-13*exp(1070/T) | ||
<IS63> | MACROO + NO = 0.85*NO2 + 0.85*HO2 + 0.72*HACET + 0.72*CO + 0.13*HCHO + 0.13*MGLY + 0.15*MACRN | 2.60e-12*exp(380/T) | ||
<IS64> | MACROO + HO2 = ROOH + XC | 1.82e-13*exp(1300/T) | ||
<IS65> | MACROO + MEO2 = 0.50*HO2 + 0.424*HACET + 0.424*CO + 0.076*HCHO + 0.076*MGLY + 0.5*PRD2 + 0.25*HCHO + 0.25*MEOH + 0.5*HCHO + 0.5*HO2-XC | 2.00e-13 | ||
<IS66> | MACROO + RO2C = 0.50*HO2 + 0.424*HACET + 0.424*CO + 0.076*HCHO + 0.076*MGLY + 0.5*PRD2-XC | 3.50e-14 | ||
<IS67> | MACROO + MECO3 = MEO2 + CO2 + HO2 + 0.15*MGLY + 0.85*HACET + 0.85*CO + 0.15*HCHO | 4.40e-13*exp(1070/T) | ||
<IS69> | MACO3 + NO = NO2 + CO + CO2 + HCHO + MEO2 | 6.70e-12*exp(340/T) | ||
<IS70> | MACO3 + HO2 = 0.3075*RCOOOH + 0.1025*RCOOH + 0.15*O3 + 0.44*OH + 0.44*HCHO + 0.44*MECO3 + 0.44*CO2 | 1.0*K<BR22> | revised acyl peroxy radical with HO2 by splitting organic into two parts | IUPAC (2009) |
<IS71> | MACO3 + NO3 = NO2 + CO + CO2 + HCHO + MEO2 | 4.00e-12 | ||
<IS72> | MACO3 + MEO2 = HCHO + HO2 + CO + CO2 + HCHO + MEO2 | 1.0*K<BR24> | ||
<IS73> | MACO3 + RO2C = CO + CO2 + HCHO + MEO2 | 1.0*K<BR25> | ||
<IS74> | MACO3 + RO2XC = CO + CO2 + HCHO + MEO2 | 1.0*K<BR25> | ||
<IS75> | MACO3 + MECO3 = CO2 + MEO2 + CO + CO2 + HCHO + MEO2 | 1.0*K<BR27> | ||
<IS76> | MACO3 + RCO3 = CO + CO2 + HCHO + MEO2 + RO2C + xHO2 + yROOH + xCCHO + CO2 | 1.0*K<BR27> | ||
<IS77> | MACO3 + BZCO3 = CO + CO2 + HCHO + MEO2 + BZO + RO2C + CO2 | 1.0*K<BR27> | ||
<IS78> | MACO3 + MACO3 = 2*CO + 2*CO2 + 2*HCHO + 2*MEO2 | 1.0*K<BR27> | ||
<IS108> | MAPAN + OH = HACET + CO + NO2 | 2.90e-11 | ||
<IS79> | HOCCHO + OH = 0.75*HO2 + 0.25*OH + 0.13*GLY + 0.52*CO + 0.35*CO2 + 0.16*HCOOH + 0.71*HCHO | 0.8e-11 | ||
<IS80> | HACET + OH = 0.75*MGLY + 0.825*HO2 + 0.125*HCOOH + 0.1*OH + 0.125*MEO2 + 0.20*CO2 + 0.05*CO + 0.125*CCOOH | 2.15e-12*exp(305/T) | ||
<IS81> | HACET = HO2 + MECO3 + HCHO | 1.75e-1/<MEK_06> | ||
<IS82> | ETHLN + OH = HCHO + CO2 + NO2 | 2.94e-12*exp(365/T) | ||
<IS111> | ETHLN = NO2 + HCHO + HO2 + CO | 1.0/<NOA> | ||
<IS83> | PROPNN + OH = MGLY + NO2 | 4.0e-13 | ||
<IS93> | ISOPNN + OH = PROPNN + NO2 | 4.0e-13 | following PROPNN, makes a single nitrate (PROPNN) instead of glyoxal since ISOPNN is dinitrate | Pye 2015 |
<IS97> | PROPNN = MECO3 + HCHO + NO2 | 1.0/<NOA> | ||
<IS98> | ISOPNN = MECO3 + HCHO + 2*NO2 | 1.0/<IC3ONO2> | following PROPNN but making 2 NO2 since ISOPNN is dinitrate, also uses different photolysis rate | Pye 2015 |
<IS84> | MVKN + OH = 0.65*HCOOH + 0.65*MGLY + 0.35*HCHO + 0.35*PYRUACD + NO3 | 3.50e-12*exp(140/T) | ||
<IS106> | MVKN = MECO3 + NO2 + HOCCHO | 1.0/<NOA> | ||
<IS85> | MACRN + OH = 0.08*CCOOH + 0.08*HCHO + 0.08*NO3 + 0.07*HCOOH + 0.07*NO3 + 0.07*MGLY + 0.85*HACET + 0.85*NO2 + 0.93*CO2 | 1.28e-11*exp(405/T) | ||
<IS110> | MACRN = HACET + NO2 + CO + HO2 | 1.0/<C2CHO> | ||
<IS86> | DHMOB + OH = 1.5*CO + 0.5*HO2 + 0.5*HACET + 0.5*PRD2-XC | 1.00e-11 | ||
<IS87> | PYRUACD = CCHO + CO2 | 1.0/<MGLY_06> | ||
<IS88> | ISOPOOH + OH = IEPOX + OH | 1.9e-11*exp(390/T) | ||
<IS89> | ISOPOOH + OH = 0.387*ISOPO2 + 0.613*HC5 + 0.613*OH | 4.75e-12*exp(200/T) | ||
<IS90> | IEPOX + OH = IEPOXOO | 5.78e-11*exp(-400/T) | ||
<IS91> | IEPOXOO + HO2 = 0.725*HACET + 0.275*HOCCHO + 0.275*GLY + 0.275*MGLY + 1.125*OH + 0.825*HO2 + 0.200*CO2 + 0.375*HCHO + 0.074*HCOOH + 0.251*CO | 2.06e-13*exp(1300/T) | ||
<IS96> | IEPOXOO + NO = 0.725*HACET + 0.275*HOCCHO + 0.275*GLY + 0.275*MGLY + 0.125*OH + 0.825*HO2 + 0.200*CO2 + 0.375*HCHO + 0.074*HCOOH + 0.251*CO + NO2 | 2.60e-12*exp(380/T) | ||
<IS112> | IEPOXOO + MEO2 = 0.363*HACET + 0.138*HOCCHO + 0.138*GLY + 0.138*MGLY + 0.063*OH + 0.413*HO2 + 0.100*CO2 + 0.188*HCHO + 0.037*HCOOH + 0.126*CO + 0.5*PRD2 + 0.5*HCHO + 0.5*HO2 + 0.25*HCHO + 0.25*MEOH-0.5*XC | 2.00e-13 | ||
<IS113> | IEPOXOO + RO2C = 0.363*HACET + 0.138*HOCCHO + 0.138*GLY + 0.138*MGLY + 0.063*OH + 0.413*HO2 + 0.100*CO2 + 0.188*HCHO + 0.037*HCOOH + 0.126*CO + 0.5*PRD2-0.5*XC | 3.50e-14 | ||
<IS114> | IEPOXOO + MECO3 = 0.725*HACET + 0.275*HOCCHO + 0.275*GLY + 0.275*MGLY + 0.125*OH + 0.825*HO2 + 0.200*CO2 + 0.375*HCHO + 0.074*HCOOH + 0.251*CO + MEO2 + CO2 | 4.40e-13*exp(1070/T) | ||
<IS92> | ISOPOOH = OH + 0.91*HO2 + 0.75*HCHO + 0.45*MVK + 0.29*MACR + 0.09*DIBOO + 0.11*HC5 + 0.05*ARO2MN-0.16*XC | 1.0/<COOH> | ARO2-->ARO2MN | |
<IS94> | RNO3I + OH = NO2 + HO2 + PRD2 | 8.00e-12 | ||
<IS99> | NISOPOOH + OH = RNO3I + OH | 5.00e-11 | ||
<IS139> | NISOPOOH + OH = 0.3*NISOPO2 + 0.7*OH + 0.7*NIT1 | 0.38e-11*exp(200/T) | ||
<IS00> | MACR + OH = 0.53*MACROO + 0.47*IMACO3 | 8.00e-12*exp(380/T) | IMACO3 specifically from isoprene, yields adjusted | Crounse 2012, Lin 2013 |
<BP56> | MACR + NO3 = 0.5*IMACO3 + 0.5*RO2C + 0.5*HNO3 + 0.5*xHO2 + 0.5*xCO + 0.5*yROOH + 1.5*XC + 0.5*XN | 1.50e-12*exp(-1815/T) | Lin 2013 | |
<BP58> | MACR = 0.33*OH + 0.67*HO2 + 0.34*MECO3 + 0.33*IMACO3 + 0.33*RO2C + 0.67*CO + 0.34*HCHO + 0.33*xMECO3 + 0.33*xHCHO + 0.33*yROOH | 1.0/<MACR_06> | Lin 2013 | |
<CP16> | MACR + CL = 0.25*HCL + 0.165*IMACO3 + 0.802*RO2C + 0.033*RO2XC + 0.033*zRNO3 + 0.802*xHO2 + 0.541*xCO + 0.082*xIPRD + 0.18*xCLCCHO + 0.541*xCLACET + 0.835*yROOH + 0.208*XC | 3.85e-10 | Lin 2013 | |
<IA69> | IMACO3 + NO = NO2 + CO + CO2 + HCHO + MEO2 | 6.70e-12*exp(340/T) | Lin 2013 | |
<IA70> | IMACO3 + HO2 = 0.75*IMPAA + 0.25*RCOOH + 0.25*O3 + XC | 1.0*K<BR22> | Lin 2013 | |
<IA71> | IMACO3 + NO3 = NO2 + CO + CO2 + HCHO + MEO2 | 4.00e-12 | Lin 2013 | |
<IA72> | IMACO3 + MEO2 = HCHO + HO2 + CO + CO2 + HCHO + MEO2 | 1.0*K<BR24> | Lin 2013 | |
<IA73> | IMACO3 + RO2C = CO + CO2 + HCHO + MEO2 | 1.0*K<BR25> | Lin 2013 | |
<IA74> | IMACO3 + RO2XC = CO + CO2 + HCHO + MEO2 | 1.0*K<BR25> | Lin 2013 | |
<IA75> | IMACO3 + MECO3 = CO2 + MEO2 + CO + CO2 + HCHO + MEO2 | 1.0*K<BR27> | ||
<IA76> | IMACO3 + RCO3 = CO + CO2 + HCHO + MEO2 + RO2C + xHO2 + yROOH + xCCHO + CO2 | 1.0*K<BR27> | Lin 2013 | |
<IA77> | IMACO3 + BZCO3 = CO + CO2 + HCHO + MEO2 + BZO + RO2C + CO2 | 1.0*K<BR27> | Lin 2013 | |
<IA78> | IMACO3 + MACO3 = 2*CO + 2*CO2 + 2*HCHO + 2*MEO2 | 1.0*K<BR27> | Lin 2013 | |
<IA79> | IMACO3 + IMACO3 = 2*CO + 2*CO2 + 2*HCHO + 2*MEO2 | 1.0*K<BR27> | Lin 2013 | |
<IA80> | MACROO = HACET + CO + OH | 2.9e7*exp(-5297/T) | isomerization of MACR_OH-H addition (MACROO) species | Crounse 2012 |
<IA51> | IMACO3 + NO2 = IMAPAN | 1.0*K<BR28> | MPAN from isoprene tracked as IMAPAN | Lin 2013 |
<IA52> | IMAPAN = IMACO3 + NO2 | 1.60e16*exp(-13486/T) | Lin 2013 | |
<IA53> | IMAPAN = 0.6*IMACO3 + 0.6*NO2 + 0.4*CO2 + 0.4*HCHO + 0.4*MECO3 + 0.4*NO3 | 1.0/<PAN> | Lin 2013 | |
<IC01> | xCO + IMACO3 = IMACO3 + CO | 1.0*K<BR25> | Lin 2013 | |
<IC02> | xTBUO + IMACO3 = IMACO3 + TBUO | 1.0*K<BR25> | Lin 2013 | |
<IC03> | xMACO3 + IMACO3 = IMACO3 + MACO3 | 1.0*K<BR25> | Lin 2013 | |
<IC04> | xRCO3 + IMACO3 = IMACO3 + RCO3 | 1.0*K<BR25> | Lin 2013 | |
<IC05> | xMECO3 + IMACO3 = IMACO3 + MECO3 | 1.0*K<BR25> | Lin 2013 | |
<IC06> | xMEO2 + IMACO3 = IMACO3 + MEO2 | 1.0*K<BR25> | Lin 2013 | |
<IC07> | xNO2 + IMACO3 = IMACO3 + NO2 | 1.0*K<BR25> | Lin 2013 | |
<IC08> | xOH + IMACO3 = IMACO3 + OH | 1.0*K<BR25> | Lin 2013 | |
<IC09> | xHO2 + IMACO3 = IMACO3 + HO2 | 1.0*K<BR25> | Lin 2013 | |
<IC10> | xACROLEIN + IMACO3 = IMACO3 + ACROLEIN | 1.0*K<BR25> | Lin 2013 | |
<IC11> | xHOCCHO + IMACO3 = IMACO3 + HOCCHO | 1.0*K<BR25> | Lin 2013 | |
<IC12> | zRNO3 + IMACO3 = IMACO3 + PRD2 + HO2 | 1.0*K<BR25> | Lin 2013 | |
<IC13> | yRAOOH + IMACO3 = IMACO3 | 1.0*K<BR25> | Lin 2013 | |
<IC14> | yR6OOH + IMACO3 = IMACO3 | 1.0*K<BR25> | Lin 2013 | |
<IC15> | yROOH + IMACO3 = IMACO3 | 1.0*K<BR25> | Lin 2013 | |
<IC16> | xRNO3 + IMACO3 = IMACO3 + RNO3 | 1.0*K<BR25> | Lin 2013 | |
<IC17> | xIPRD + IMACO3 = IMACO3 + IPRD | 1.0*K<BR25> | Lin 2013 | |
<IC18> | xMVK + IMACO3 = IMACO3 + MVK | 1.0*K<BR25> | Lin 2013 | |
<IC19> | xMACR + IMACO3 = IMACO3 + MACR | 1.0*K<BR25> | Lin 2013 | |
<IC20> | xAFG3 + IMACO3 = IMACO3 + AFG3 | 1.0*K<BR25> | Lin 2013 | |
<IC21> | xAFG2 + IMACO3 = IMACO3 + AFG2 | 1.0*K<BR25> | Lin 2013 | |
<IC22> | xAFG1 + IMACO3 = IMACO3 + AFG1 | 1.0*K<BR25> | Lin 2013 | |
<IC23> | xBALD + IMACO3 = IMACO3 + BALD | 1.0*K<BR25> | Lin 2013 | |
<IC24> | xBACL + IMACO3 = IMACO3 + BACL | 1.0*K<BR25> | Lin 2013 | |
<IC25> | xMGLY + IMACO3 = IMACO3 + MGLY | 1.0*K<BR25> | Lin 2013 | |
<IC26> | xGLY + IMACO3 = IMACO3 + GLY | 1.0*K<BR25> | Lin 2013 | |
<IC27> | xPROD2 + IMACO3 = IMACO3 + PRD2 | 1.0*K<BR25> | Lin 2013 | |
<IC28> | xMEK + IMACO3 = IMACO3 + MEK | 1.0*K<BR25> | Lin 2013 | |
<IC29> | xACETONE + IMACO3 = IMACO3 + ACETONE | 1.0*K<BR25> | Lin 2013 | |
<IC30> | xRCHO + IMACO3 = IMACO3 + RCHO | 1.0*K<BR25> | Lin 2013 | |
<IC31> | xCCHO + IMACO3 = IMACO3 + CCHO | 1.0*K<BR25> | Lin 2013 | |
<IC32> | xHCHO + IMACO3 = IMACO3 + HCHO | 1.0*K<BR25> | Lin 2013 | |
<IC33> | xCL + IMACO3 = IMACO3 + CL | 1.0*K<BR25> | Lin 2013 | |
<IC34> | xCLACET + IMACO3 = IMACO3 + CLACET | 1.0*K<BR25> | Lin 2013 | |
<IC35> | xCLCCHO + IMACO3 = IMACO3 + CLCCHO | 1.0*K<BR25> | Lin 2013 | |
<IA108> | IMAPAN + OH = 0.03*HACET + 0.03*CO + 0.81*NO3 + 0.21*IMAE + 0.57*IHMML + 0.19*PAN + 0.19*HCHO + 0.19*HO2 | 3.00e-11 | Lin 2013 | |
<IA90> | IMAE + OH = | 1.E-12 | Lin 2013 | |
<IA91> | IHMML + OH = | 4.4E-12 | Lin 2013 | |
<IA92> | IMPAA + OH = 0.83*IMACO3 + 0.17*IHMML | 1.66E-11 | Lin 2013 | |
<CP07mtp> | MTNO3 + CL = HCL + 0.038*NO2 + 0.055*HO2 + 1.282*RO2C + 0.202*RO2XC + 0.202*zMTNO3 + 0.009*RCHO + 0.018*MEK + 0.012*PRD2 + 0.055*MTNO3 + 0.159*xNO2 + 0.547*xHO2 + 0.045*xHCHO + 0.3*xCCHO + 0.02*xRCHO + 0.003*xACETONE + 0.041*xMEK + 0.046*xPROD2 + 0.547*xMTNO3 + 0.908*yR6OOH + 0.201*XN-0.149*XC | 1.92e-10 | Pye 2015 | |
<BP70mtp> | MTNO3 + OH = 0.189*HO2 + 0.305*xHO2 + 0.019*NO2 + 0.313*xNO2 + 0.976*RO2C + 0.175*RO2XC + 0.175*zMTNO3 + 0.011*xHCHO + 0.429*xCCHO + 0.001*RCHO + 0.036*xRCHO + 0.004*xACETONE + 0.01*MEK + 0.17*xMEK + 0.008*PRD2 + 0.031*xPROD2 + 0.189*MTNO3 + 0.305*xMTNO3 + 0.157*yROOH + 0.636*yR6OOH + 0.174*XN + 0.04*XC | 7.20e-12 | slow | Pye 2015 |
<BP71mtp> | MTNO3 = 0.344*HO2 + 0.554*xHO2 + NO2 + 0.721*RO2C + 0.102*RO2XC + 0.102*zMTNO3 + 0.074*HCHO + 0.061*xHCHO + 0.214*CCHO + 0.23*xCCHO + 0.074*RCHO + 0.063*xRCHO + 0.008*xACETONE + 0.124*MEK + 0.083*xMEK + 0.19*PRD2 + 0.261*xPROD2 + 0.066*yROOH + 0.591*yR6OOH + 0.396*XC | 1.0/<IC3ONO2> | slow photolysis (timescale of day) | Pye 2015 |
<HET_N2O5> | N2O5 = 2.0*HNO3 | 1.0~<HETERO_N2O5IJ> | ||
<HET_N02> | NO2 = 0.5*HONO + 0.5*HNO3 | 1.0~<HETERO_NO2> | ||
<HET_N2O5IJ> | N2O5 = HNO3 + H2NO3PIJ | 1.0~<HETERO_N2O5IJ> | Sarwar 2014 | |
<HET_N2O5K> | N2O5 = HNO3 + H2NO3PK | 1.0~<HETERO_N2O5K> | Sarwar 2014 | |
<HET_H2NO3PIJA> | H2NO3PIJ = HNO3 | 1.0~<HETERO_H2NO3PAIJ> | Sarwar 2014 | |
<HET_H2NO3PKA> | H2NO3PK = HNO3 | 1.0~<HETERO_H2NO3PAK> | Sarwar 2014 | |
<HET_H2NO3PIB> | H2NO3PIJ + ACLI = CLNO2 | 1.0~<HETERO_H2NO3PBIJ> | Sarwar 2014 | |
<HET_H2NO3PJB> | H2NO3PIJ + ACLJ = CLNO2 | 1.0~<HETERO_H2NO3PBIJ> | Sarwar 2014 | |
<HET_H2NO3PKB> | H2NO3PK + ACLK = CLNO2 | 1.0~<HETERO_H2NO3PBK> | Sarwar 2014 | |
<HAL_Ozone> | O3 = | min(1.0E-40*exp(78.4256*P)+4.0582E-9*exp(5.8212*P), 2.4E-06) | Set to zero if sun is below the horizon and if surface does not include sea or surf zones; P equals air pressure in atmospheres | CMAQv5.1_Halogen_chemistry |
<HET_IEPOX> | IEPOX = IEPOXP | 1.0~<HETERO_IEPOX> | Pye 2013 | |
<HET_IMAE> | IMAE = IMAEP | 1.0~<HETERO_IMAE> | Pye 2013 | |
<HET_IHMML> | IHMML = IHMMLP | 1.0~<HETERO_IMAE> | Pye 2013 | |
<HET_TETROL> | IEPOXP = AIETETJ | 1.0~<HETERO_TETROL> | tetrol | Pye 2013 |
<HET_IEPOXOS> | IEPOXP = AIEOSJ | 1.0~<HETERO_IEPOXOS> | iepox-organosulfate | Pye 2013 |
<HET_DIM1> | IEPOXP + AIETETJ = ADIMJ | 1.0~<HETERO_TETROLDIM> | dimer | Pye 2013 |
<HET_DIM2> | IEPOXP + AIEOSJ = ADIMJ | 1.0~<HETERO_IEPOXOSDI> | dimer | Pye 2013 |
<HET_2MG1> | IMAEP = AIMGAJ | 1.0~<HETERO_2MG> | 2-MG | Pye 2013 |
<HET_IMAEOS1> | IMAEP = AIMOSJ | 1.0~<HETERO_IMAEOS> | organosulfate | Pye 2013 |
<HET_2MG2> | IHMMLP = AIMGAJ | 1.0~<HETERO_2MG> | 2-MG | Pye 2013 |
<HET_IMAEOS2> | IHMMLP = AIMOSJ | 1.0~<HETERO_IMAEOS> | organosulfate | Pye 2013 |
<HET_NO3> | NO3 = HNO3 | 1.0~<HETERO_NO3> | low range of reactive uptake values from Mao et al., gamma = 1e-4 | Pye 2015 |
<OLIG_ALK1 | AALk1J = 1.7143*AOLGAJ | 9.48816E-6 | oligomerization reaction, product coefficient ensures carbon balance | Pye 2012 |
<OLIG_ALK2 | AALk2J = 1.7143*AOLGAJ | 9.48816E-6 | oligomerization reaction, product coefficient ensures carbon balance | Pye 2012 |
<OLIG_XYLENE1> | AXYL1J = 1.1428*AOLGAJ | 9.48816E-6 | oligomerization reaction, product coefficient ensures carbon balance | |
<OLIG_XYLENE2> | AXYL2J = 1.1428*AOLGAJ | 9.48816E-6 | oligomerization reaction, product coefficient ensures carbon balance | |
<OLIG_TOLUENE1> | ATOL1J = 1.0000*AOLGAJ | 9.48816E-6 | oligomerization reaction, product coefficient ensures carbon balance | |
<OLIG_TOLUENE2> | ATOL2J = 1.0000*AOLGAJ | 9.48816E-6 | oligomerization reaction, product coefficient ensures carbon balance | |
<OLIG_BENZENE1> | ABNZ1J = 0.85714*AOLGAJ | 9.48816E-6 | oligomerization reaction, product coefficient ensures carbon balance | |
<OLIG_BENZENE2> | ABNZ2J = 0.85714*AOLGAJ | 9.48816E-6 | oligomerization reaction, product coefficient ensures carbon balance | |
<OLIG_TERPENE1> | ATRP1J = 1.0000*AOLGBJ | 9.48816E-6 | oligomerization reaction, product coefficient ensures carbon balance | |
<OLIG_TERPENE2> | ATRP2J = 1.0000*AOLGBJ | 9.48816E-6 | oligomerization reaction, product coefficient ensures carbon balance | |
<OLIG_ISOPRENE1> | AISO1J = 0.50*AOLGBJ | 9.48816E-6 | oligomerization reaction, product coefficient ensures carbon balance | |
<OLIG_ISOPRENE2> | AISO2J = 0.50*AOLGBJ | 9.48816E-6 | oligomerization reaction, product coefficient ensures carbon balance | |
<OLIG_SESQT1> | ASQTJ = 1.50*AOLGBJ | 9.48816E-6 | oligomerization reaction, product coefficient ensures carbon balance | |
<OLIG_PAH1> | APAH1J = 1.4286*AOLGAJ | 9.48816E-6 | oligomerization for 10 C | Pye 2012 |
<OLIG_PAH2> | APAH2J = 1.4286*AOLGAJ | 9.48816E-6 | oligomerization fo 10 C | Pye 2012 |
<RPOAGEPI> | APOCI + OH = 1.25*APNCOMI + APOCI + OH | 2.5E-12 | Heterogeneous formation of NCOM | Simon 2012 |
<RPOAGELI> | APNCOMI + OH = OH | 1.0~<HETERO_PNCOMLI> | Heterogeneous formation of NCOM | Simon 2012 |
<RPOAGEPJ> | APOCJ + OH = 1.25*APNCOMJ + APOCJ + OH | 2.5E-12 | Heterogeneous formation of NCOM | Simon 2012 |
<RPOAGELJ> | APNCOMJ + OH = OH | 1.0~<HETERO_PNCOMLJ> | Heterogeneous formation of NCOM | Simon 2012 |
<HYD_MT> | AMTNO3J = HNO3 + 1.00*AMTHYDJ | 9.259E-5 | hydrolysis, timescale of 3 hrs | Pye 2015 |
<HYD_ISOP> | AISOPNNJ = 2.0*HNO3 + 0.5*AMTHYDJ | 9.259E-5 | hydrolysis, timescale of 3 hrs | Pye 2015 |
<HET_GLY> | GLY = AGLYJ | 1.0~<HETERO_GLY> | gly uptake to aerosol, gamma = 0.0029 | Pye 2015, Liggio 2005 |
<HET_MGLY> | MGLY = AGLYJ | 1.0~<HETERO_MGLY> | mgly uptake to aerosol, gamma = 0.0029 | Pye 2015, Liggio 2005 |