Cb05e51 ae6 v5.1 mech.def

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Information is taken directly from the mech.def file. cb05e51 and cb05mp51 are identical gas-phase chemical mechanisms.

  • 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
<R1> NO2 = NO + O 1.0/<NO2_IUPAC10>
<R2> O + O2 + M = O3 + M 6.0E-34*(T/300)(-2.4)
<R3> O3 + NO = NO2 3.0E-12*exp(-1500.0/T)
<R4> O + NO2 = NO 5.6E-12*exp(180.0/T)
<R5> O + NO2 = NO3 k0=2.5E-31*(T/300)(-1.8), kinf=2.2E-11*(T/300)(-0.7), F=0.6, n=1
<R6> O + NO = NO2 k0=9.0E-32*(T/300)(-1.5), kinf=3.0E-11, F=0.6, n=1
<R7> NO2 + O3 = NO3 1.2E-13*exp(-2450/T)
<R8> O3 = O 1.0/<O3_O3P_IUPAC10>
<R9> O3 = O1D 1.0/<O3_O1D_IUPAC10>
<R10> O1D + M = O + M 2.1E-11*exp(102./T)
<R11> O1D + H2O = 2.000*OH 2.2E-10
<R12> O3 + OH = HO2 1.7E-12*exp(-940/T)
<R13> O3 + HO2 = OH 1.0E-14*exp(-490/T)
<R14> NO3 = NO2 + O 1.0/<NO3NO2_06>
<R15> NO3 = NO 1.0/<NO3NO_06>
<R16> NO3 + NO = 2.000*NO2 1.5E-11*exp(170/T)
<R17> NO3 + NO2 = NO + NO2 4.5E-14*exp(-1260/T)
<R18> NO3 + NO2 = N2O5 k0=2.0E-30*(T/300)(-4.4), kinf=1.4E-12*(T/300)(-0.7), F=0.6, n=1
<R19> N2O5 + H2O = 2.000*HNO3 1.0E-22
<R20> N2O5 + H2O + H2O = 2.000*HNO3 0.0
<R21> N2O5 = NO3 + NO2 k0=1.0E-03*(T/300)(-3.5)*exp(-11000/T), kinf=9.7E + 14*(T/300)(0.1)*exp(-11080/T), F=0.45, n=1.0
<R22> NO + NO + O2 = 2.000*NO2 3.3E-39*exp(530/T)
<R23> NO + NO2 + H2O = 2.000*HONO 5.0E-40
<R24> NO + OH = HONO k0=7.0E-31*(T/300)(-2.6), kinf=3.6E-11*(T/300)(-0.1), F=0.6, n=1
<R25> HONO = NO + OH 1.0/<HONO_IUPAC10>
<R26> OH + HONO = NO2 1.8E-11*exp(-390/T)
<R27> HONO + HONO = NO + NO2 1.0E-20
<R28> NO2 + OH = HNO3 k0=3.2E-30*(T/300)(-4.5), kinf=3.0E-11, F=0.41, n=1.24
<R29> OH + HNO3 = NO3 k0=2.4E-14*exp(460/T), k2=2.7E-17*exp(2199/T), k3=6.5E-34*exp(1335/T)
<R30> HO2 + NO = OH + NO2 3.5E-12*exp(250/T)
<R30a> NO + HO2 = HNO3 k1=6.095e-14*(T/300)(-1.0)*exp(270.0/T), k2=6.857e-34*(T/300)(1.0)*exp(270.0/T), k3=-5.968e-14*exp(270.0/T)
<R31> HO2 + NO2 = PNA k0=1.8E-31*(T/300)(-3.2), kinf=4.7E-12, F=0.6, n=1
<R32> PNA = HO2 + NO2 k0=4.1E-5*exp(-10650/T), kinf=4.8E15*exp(-11170/T), F=0.6, n=1
<R33> OH + PNA = NO2 1.3E-12*exp(380/T)
<R34> HO2 + HO2 = H2O2 k1=2.3E-13*exp(600/T), k2=1.7E-33*exp(1000/T)
<R35> HO2 + HO2 + H2O = H2O2 k1=3.22E-34*exp(2800/T), k2=2.38E-54*exp(3200/T)
<R36> H2O2 = 2.000*OH 1.0/<H2O2_IUPAC10>
<R37> OH + H2O2 = HO2 2.9E-12*exp(-160/T)
<R38> O1D + H2 = OH + HO2 1.1E-10
<R39> OH + H2 = HO2 5.5E-12*exp(-2000./T)
<R40> OH + O = HO2 2.2E-11*exp(120./T)
<R41> OH + OH = O 4.2E-12*exp(-240/T)
<R42> OH + OH = H2O2 k0=6.9E-31*(T/300)(-1.0), kinf=2.6E-11, F=0.6, n=1
<R43> OH + HO2 = 4.8E-11*exp(250./T)
<R44> HO2 + O = OH 3.0E-11*exp(200./T)
<R45> H2O2 + O = OH + HO2 1.4E-12*exp(-2000./T)
<R46> NO3 + O = NO2 1.0E-11
<R47> NO3 + OH = HO2 + NO2 2.2E-11
<R48> NO3 + HO2 = HNO3 3.5E-12
<R49> NO3 + O3 = NO2 1.0E-17
<R50> NO3 + NO3 = 2.000*NO2 8.5E-13*exp(-2450./T)
<R51> PNA = 0.610*HO2 + 0.610*NO2 + 0.390*OH + 0.390*NO3 1.0/<PNA_IUPAC10>
<R52> HNO3 = OH + NO2 1.0/<HNO3_IUPAC10>
<R53> N2O5 = NO2 + NO3 1.0/<N2O5_IUPAC10>
<R54> XO2 + NO = NO2 2.6E-12*exp(365/T)
<R55> XO2N + NO = 0.5*NTROH + 0.5*NTRALK 2.6E-12*exp(365/T) 50% alkylnitrate; 50% hydroxynitrate
<R56> XO2 + HO2 = ROOH 7.5E-13*exp(700/T)
<R57> XO2N + HO2 = ROOH 7.5E-13*exp(700/T)
<R58> XO2 + XO2 = 6.8E-14
<R59> XO2N + XO2N = 6.8E-14
<R60> XO2 + XO2N = 6.8E-14
<R63> ROOH + OH = XO2 + 0.500*ALD2 + 0.500*ALDX 3.01E-12*exp(190/T)
<R64> ROOH = OH + HO2 + 0.500*ALD2 + 0.500*ALDX 1.0/<MEPX_IUPAC10>
<R64a> ISOPX + OH = 0.904*IEPOX + 0.933*OH + 0.067*ISOPO2 + 0.029*IOLE + 0.029*ALDX 2.23E-11*exp(372/T)
<R64b> IEPOX + OH = IEPXO2 5.78E-11*exp(-400/T)
<R64c> IEPXO2 + HO2 = 0.275*ALD2 + 0.275*MGLY + 1.125*OH + 0.825*HO2 + 0.650*FORM + 0.074*FACD + 0.251*CO + 2.45*PAR 7.43E-13*exp(700/T)
<R64d> IEPXO2 + NO = 0.275*ALD2 + 0.275*MGLY + 0.125*OH + 0.825*HO2 + 0.65*FORM + NO2 + 0.251*CO + 2.45*PAR 2.39E-12*exp(365/T)
<R64e> IEPXO2 + C2O3 = 0.22*ALD2 + 0.22*MGLY + 0.1*OH + 0.66*HO2 + 0.52*FORM + 0.2*CO + 1.96*PAR + 0.8*MEO2 + 0.2*AACD 8.90E-13*exp(800/T)
<R65> OH + CO = HO2 k1=1.44E-13, k2=3.43E-33*exp(-0.0/T)
<R66> OH + CH4 = MEO2 2.45E-12*exp(-1775/T)
<R67> MEO2 + NO = FORM + HO2 + NO2 2.8E-12*exp(300/T)
<R68> MEO2 + HO2 = MEPX 4.1E-13*exp(750/T)
<R69> MEO2 + MEO2 = 1.370*FORM + 0.740*HO2 + 0.630*MEOH 9.5E-14*exp(390/T)
<R70> MEPX + OH = 0.700*MEO2 + 0.300*XO2 + 0.300*HO2 3.8E-12*exp(200/T)
<R71> MEPX = FORM + HO2 + OH 1.0/<MEPX_IUPAC10>
<R72> MEOH + OH = FORM + HO2 7.3E-12*exp(-620/T)
<R73> FORM + OH = HO2 + CO 9.0E-12
<R74> FORM = 2.000*HO2 + CO 1.0/<FORM_R_IUPAC10>
<R75> FORM = CO 1.0/<FORM_M_IUPAC10>
<R76> FORM + O = OH + HO2 + CO 3.4E-11*exp(-1600/T)
<R77> FORM + NO3 = HNO3 + HO2 + CO 5.8E-16
<R78> FORM + HO2 = HCO3 9.7E-15*exp(625/T)
<R79> HCO3 = FORM + HO2 2.4E + 12*exp(-7000/T)
<R80> HCO3 + NO = FACD + NO2 + HO2 5.6E-12
<R81> HCO3 + HO2 = MEPX 5.6E-15*exp(2300/T)
<R82> FACD + OH = HO2 4.0E-13
<R83> ALD2 + O = C2O3 + OH 1.8E-11*exp(-1100/T)
<R84> ALD2 + OH = C2O3 5.6E-12*exp(270/T)
<R85> ALD2 + NO3 = C2O3 + HNO3 1.4E-12*exp(-1900/T)
<R86> ALD2 = MEO2 + CO + HO2 1.0/<ALD2_R_IUPAC10>
<R87> C2O3 + NO = MEO2 + NO2 8.1E-12*exp(270/T)
<R88> C2O3 + NO2 = PAN k0=2.7E-28*(T/300)(-7.1), kinf=1.2E-11*(T/300)(-0.9), F=0.3, n=1.41 added N=1.41 IUPAC
<R89> PAN = C2O3 + NO2 k0=4.9E-3*exp(-12100/T), kinf=5.4E16*exp(-13830/T), F=0.3, n=1.41 added N=1.41
<R90> PAN = 0.6*NO2 + 0.6*C2O3 + 0.4*NO3 + 0.4*MEO2 1.0/<PAN_IUPAC10> added 40% yield of MEO2 and NO3
<R91> C2O3 + HO2 = 0.410*PACD + 0.150*AACD + 0.440*OH + 0.440*MEO2 + 0.150*O3 4.3E-13*exp(1040/T)
<R92> C2O3 + MEO2 = 0.900*MEO2 + 0.900*HO2 + FORM + 0.100*AACD 2.0E-12*exp(500/T)
<R93> C2O3 + XO2 = 0.900*MEO2 + 0.100*AACD 4.4E-13*exp(1070/T)
<R94> C2O3 + C2O3 = 2.000*MEO2 2.9E-12*exp(500/T)
<R95> PACD + OH = C2O3 4.0E-13*exp(200/T)
<R96> PACD = MEO2 + OH 1.0/<PACD_CB05>
<R97> AACD + OH = MEO2 4.0E-13*exp(200/T)
<R98> ALDX + O = CXO3 + OH 1.3E-11*exp(-870/T)
<R99> ALDX + OH = CXO3 5.1E-12*exp(405/T)
<R100> ALDX + NO3 = CXO3 + HNO3 6.5E-15
<R101> ALDX = MEO2 + CO + HO2 1.0/<ALDX_R_IUPAC10>
<R102> CXO3 + NO = ALD2 + NO2 + HO2 + XO2 6.7E-12*exp(340/T)
<R103> CXO3 + NO2 = PANX k0=2.7E-28*(T/300)(-7.1), kinf=1.2E-11*(T/300)(-0.9), F=0.3, n=1.41 added N=1.41
<R104> PANX = CXO3 + NO2 k0=1.7E-3*exp(-11280/T), kinf=8.3E16*exp(-13940/T), F=0.36, n=1 set equal to PPN
<R105> PANX = 0.6*CXO3 + 0.6*NO2 + 0.4*NO3 + 0.4*ALD2 + 0.4*HO2 + 0.4*XO2 1.0/<PAN_IUPAC10> added 40% other products
<R106> PANX + OH = ALD2 + NO2 3.0E-13
<R107> CXO3 + HO2 = 0.410*PACD + 0.150*AACD + 0.440*OH + 0.440*XO2 + 0.150*O3 4.3E-13*exp(1040/T)
<R108> CXO3 + MEO2 = 0.900*ALD2 + 0.900*XO2 + HO2 + 0.100*AACD + 0.100*FORM 2.0E-12*exp(500/T)
<R109> CXO3 + XO2 = 0.900*ALD2 + 0.100*AACD 4.4E-13*exp(1070./T)
<R110> CXO3 + CXO3 = 2.000*ALD2 + 2.000*XO2 + 2.000*HO2 2.9E-12*exp(500/T)
<R111> CXO3 + C2O3 = MEO2 + XO2 + HO2 + ALD2 2.9E-12*exp(500/T)
<R112> PAR + OH = 0.870*XO2 + 0.130*XO2N + 0.110*HO2 + 0.060*ALD2-0.110*PAR + 0.760*ROR + 0.050*ALDX 8.1E-13
<R113> ROR = 0.960*XO2 + 0.600*ALD2 + 0.940*HO2-2.100*PAR + 0.040*XO2N + 0.020*ROR + 0.500*ALDX 1.E + 15*exp(-8000./T)
<R114> ROR = HO2 1.6E + 3
<R115> ROR + NO2 = NTRALK 1.5E-11
<R116> O + OLE = 0.200*ALD2 + 0.300*ALDX + 0.300*HO2 + 0.200*XO2 + 0.200*CO + 0.200*FORM + 0.010*XO2N + 0.200*PAR + 0.100*OH 1.E-11*exp(-280./T)
<R117> OH + OLE = 0.800*FORM + 0.330*ALD2 + 0.620*ALDX + 0.800*XO2 + 0.950*HO2-0.700*PAR 3.2E-11
<R118> O3 + OLE = 0.180*ALD2 + 0.740*FORM + 0.320*ALDX + 0.220*XO2 + 0.100*OH + 0.330*CO + 0.440*HO2-1.000*PAR 6.5E-15*exp(-1900./T)
<R119> NO3 + OLE = NO2 + FORM + 0.910*XO2 + 0.090*XO2N + 0.560*ALDX + 0.350*ALD2-1.000*PAR 7.0E-13*exp(-2160./T)
<R120> O + ETH = FORM + 1.700*HO2 + CO + 0.700*XO2 + 0.300*OH 1.04E-11*exp(-792/T)
<R121> OH + ETH = XO2 + 1.560*FORM + 0.220*ALDX + HO2 k0=1.0E-28*(T/300)(-0.8), kinf=8.8E-12, F=0.6, n=1
<R122> O3 + ETH = FORM + 0.630*CO + 0.130*HO2 + 0.130*OH + 0.370*FACD 1.2E-14*exp(-2630/T)
<R123> NO3 + ETH = NO2 + XO2 + 2.0*FORM 3.3E-12*exp(-2880./T)
<R124> IOLE + O = 1.240*ALD2 + 0.660*ALDX + 0.100*HO2 + 0.100*XO2 + 0.100*CO + 0.100*PAR 2.3E-11
<R125> IOLE + OH = 1.300*ALD2 + 0.700*ALDX + HO2 + XO2 1.0E-11*exp(550./T)
<R126> IOLE + O3 = 0.650*ALD2 + 0.350*ALDX + 0.250*FORM + 0.250*CO + 0.500*O + 0.500*OH + 0.500*HO2 8.4E-15*exp(-1100./T)
<R127> IOLE + NO3 = 1.180*ALD2 + 0.640*ALDX + HO2 + NO2 9.6E-13*exp(-270./T)
<R128> TOL + OH = 0.28*HO2 + 0.1*XO2 + 0.18*CRES + 0.65*TO2 + 0.072*OH + 1.0*TOLRO2 1.8E-12*exp(355/T)
<R129> TO2 + NO = 0.86*NO2 + 1.2*HO2 + 0.86*OPEN + 0.14*NTROH + 0.52*MGLY + 0.336*FORM + 0.336*CO 2.70E-12*exp(360/T)
<R130> TO2 + HO2 = 1.90E-13*exp(1300/T)
<R131> OH + CRES = 0.06*CRO + 0.12*XO2 + 1.12*HO2 + 0.13*OPEN + 0.732*CAT1 + 0.06*CO + 0.06*XO2N + 0.06*FORM 1.70E-12*exp(950/T)
<R132> CRES + NO3 = 0.3*CRO + HNO3 + 0.6*XO2 + 0.36*HO2 + 0.48*ALDX + 0.24*FORM + 0.24*MGLY + 0.12*OPEN + 0.1*XO2N + 0.24*CO 1.4E-11
<R133> CRO + NO2 = CRON 2.1E-12
<R134> CRO + HO2 = CRES 5.5E-12
<R135> CRON + OH = CRNO 1.53E-12
<R136> CRON + NO3 = CRNO + HNO3 3.8E-12
<R137> CRNO + NO2 = 2*NTROH 2.1E-12
<R138> CRNO + O3 = CRN2 2.86E-13
<R139> CRN2 + NO = CRNO + NO2 2.54E-12*exp(360/T)
<R140> CRN2 + HO2 = CRPX 2.4E-13*exp(1300/T)
<R141> CRPX = CRNO + OH 0.01/<NO2_IUPAC10>
<R142> CRPX + OH = CRN2 1.9E-12*exp(190/T)
<R143> OPEN = OPO3 + HO2 + CO 0.04/<NO2_IUPAC10>
<R144> OPEN + OH = 0.6*OPO3 + 0.4*CAO2 4.4E-11
<R145> OPEN + O3 = 0.03*ALDX + 0.62*OPO3 + 0.7*FORM + 0.03*XO2 + 0.69*CO + 0.08*OH + 0.76*HO2 + 0.2*MGLY 5.4E-17*exp(-500./T)
<R146> OPEN + NO3 = OPO3 + HNO3 3.8E-12
<R147> CAT1 + OH = CAO2 7.0E-11
<R148> CAT1 + NO3 = CRO + HNO3 1.7E-10
<R149> CAO2 + NO = 0.86*NO2 + 1.2*HO2 + 0.344*FORM + 0.344*CO + 0.14*NTROH 2.54E-12*exp(360./T)
<R150> CAO2 + HO2 = 2.40E-13*exp(1300./T)
<R151> OPO3 + NO = NO2 + XO2 + HO2 + ALDX 1.1E-11
<R152> OPO3 + NO2 = OPAN 1.1E-11
<R153> OPAN = OPO3 + NO2 1.0E-4
<R154a> OH + XYLMN = 0.700*HO2 + 0.500*XO2 + 0.200*CRES + 0.800*MGLY + 1.100*PAR + 0.300*TO2 + 1.0*XYLRO2 1.7E-11*exp(116./T) xylene model species without naphthalene
<R154b> OH + NAPH = 0.700*HO2 + 0.500*XO2 + 0.200*CRES + 0.800*MGLY + 1.100*PAR + 0.300*TO2 + 1.0*PAHRO2 1.7E-11*exp(116./T) same products and rate as XYL
<R155> OH + MGLY = XO2 + C2O3 1.8E-11
<R156> MGLY = C2O3 + HO2 + CO 1.0/<MGLY_IUPAC10>
<R157> O + ISOP = 0.750*ISPD + 0.500*FORM + 0.250*XO2 + 0.250*HO2 + 0.250*CXO3 + 0.250*PAR 3.6E-11
<R158> ISOP + OH = ISOPO2 + ISOPRXN 2.70E-11*exp(390/T)
<R158a> ISOPO2 + NO = 0.1*NTRM + 0.9*NO2 + 0.673*FORM + 0.9*ISPD + 0.9*HO2 2.39E-12*exp(365/T) NTRM is specific to biogenics
<R158b> ISOPO2 + C2O3 = 0.598*FORM + 1.0*ISPD + 0.8*HO2 + 0.8*MEO2 + 0.2*AACD 1.00E + 0*K<R58>
<R158c> ISOPO2 + HO2 = 1.00*ISOPX 7.43E-13*exp(700/T)
<R159> O3 + ISOP = 0.650*ISPD + 0.600*FORM + 0.200*XO2 + 0.066*HO2 + 0.266*OH + 0.200*MACO3 + 0.150*ALDX + 0.350*PAR + 0.066*CO 7.86E-15*exp(-1912/T)
<R160> NO3 + ISOP = 0.200*ISPD + 0.800*NTRM + XO2 + 0.800*HO2 + 0.200*NO2 + 0.800*ALDX + ISOPRXN + 2.400*PAR 3.03E-12*exp(-448/T)
<R161> OH + ISPD = 1.565*PAR + 0.167*FORM + 0.713*XO2 + 0.503*HO2 + 0.334*CO + 0.168*MGLY + 0.252*ALD2 + 0.330*C2O3 + 0.130*MACO3 + 0.120*ALDX 3.36E-11
<R162> O3 + ISPD = 0.114*C2O3 + 0.150*FORM + 0.850*MGLY + 0.154*HO2 + 0.268*OH + 0.064*XO2 + 0.020*ALD2 + 0.360*PAR + 0.225*CO 7.1E-18
<R163> NO3 + ISPD = 0.357*ALDX + 0.282*FORM + 1.282*PAR + 0.925*HO2 + 0.643*CO + 0.850*NTRI + 0.075*MACO3 + 0.075*XO2 + 0.150*HNO3 1.0E-15
<R164> ISPD = 0.333*CO + 0.067*ALD2 + 0.900*FORM + 0.832*PAR + 0.700*XO2 + 1.033*HO2 + 0.700*MACO3 + 0.267*C2O3 0.0036/<ACRO_09>
<R165> TERP + O = 0.150*ALDX + 5.12*PAR + TRPRXN 3.6E-11
<R166> TERP + OH = 0.750*HO2 + 1.250*XO2 + 0.250*XO2T + 0.280*FORM + 1.66*PAR + 0.470*ALDX + TRPRXN 1.5E-11*exp(449./T)
<R166a> XO2T + NO = NTRM 2.6E-12*exp(365/T) XO2T instead of XO2
<R166b> XO2T + HO2 = ROOH 7.5E-13*exp(700/T)
<R166c> XO2T + XO2T = 6.8E-14
<R166d> XO2 + XO2T = 6.8E-14
<R167> TERP + O3 = 0.570*OH + 0.070*HO2 + 0.760*XO2 + 0.180*XO2T + 0.240*FORM + 0.001*CO + 7.000*PAR + 0.210*ALDX + 0.390*CXO3 + TRPRXN 1.2E-15*exp(-821./T)
<R168> TERP + NO3 = 0.470*NO2 + 0.280*HO2 + 1.030*XO2 + 0.250*XO2T + 0.470*ALDX + 0.530*NTRM + TRPRXN 3.7E-12*exp(175./T)
<R169> SO2 + OH = SULF + HO2 + SULRXN k0=3.3E-31*(T/300)(-4.3), kinf=1.6E-12*(T/300)(0.0), F=0.6, n=1
<R170> OH + ETOH = HO2 + 0.950*ALD2 + 0.010*ALDX + 0.080*FORM + 0.050*XO2 6.9E-12*exp(-230/T)
<R171> OH + ETHA = 0.991*ALD2 + 0.991*XO2 + 0.009*XO2N + HO2 8.7E-12*exp(-1070/T)
<R172> NO2 + ISOP = 0.200*ISPD + 0.800*NTROH + XO2 + 0.800*HO2 + 0.200*NO + 0.800*ALDX + 2.400*PAR 1.5E-19
<CL1> CL2 = 2.000*CL 1.0/<CL2_IUPAC04>
<CL2> HOCL = OH + CL 1.0/<HOCL_IUPAC04>
<CL3> CL + O3 = CLO 2.3E-11*exp(-200/T)
<CL4> CLO + CLO = 0.300*CL2 + 1.400*CL 1.63E-14
<CL5> CLO + NO = CL + NO2 6.4E-12*exp(290/T)
<CL6> CLO + HO2 = HOCL 2.7E-12*exp(220/T)
<CL7> OH + FMCL = CL + CO 5.0E-13
<CL8> FMCL = CL + CO + HO2 1.0/<FMCL_IUPAC04>
<CL9> CL + CH4 = HCL + MEO2 6.6E-12*exp(-1240/T)
<CL10> CL + PAR = HCL + 0.870*XO2 + 0.130*XO2N + 0.110*HO2 + 0.060*ALD2-0.110*PAR + 0.760*ROR + 0.050*ALDX 5.0E-11
<CL11> CL + ETHA = HCL + 0.991*ALD2 + 0.991*XO2 + 0.009*XO2N + HO2 8.3-11*exp(-100/T)
<CL12> CL + ETH = FMCL + 2.000*XO2 + 1.000*HO2 + 1.000*FORM 1.07E-10
<CL13> CL + OLE = FMCL + 0.330*ALD2 + 0.670*ALDX + 2.000*XO2 + 1.000*HO2-1.000*PAR 2.5E-10
<CL14> CL + IOLE = 0.300*HCL + 0.700*FMCL + 0.450*ALD2 + 0.550*ALDX + 0.300*OLE + 0.300*PAR + 1.700*XO2 + 1.000*HO2 3.5E-10
<CL15> CL + ISOP = 0.15*HCL + 1.000*XO2 + 1.000*HO2 + 0.850*FMCL + 1.000*ISPD 4.3E-10
<CL16> CL + FORM = HCL + 1.000*HO2 + 1.000*CO 8.2E-11*exp(-34/T)
<CL17> CL + ALD2 = HCL + 1.000*C2O3 7.9E-11
<CL18> CL + ALDX = HCL + 1.000*CXO3 1.3E-10
<CL19> CL + MEOH = HCL + 1.000*HO2 + 1.000*FORM 5.5E-11
<CL20> CL + ETOH = HCL + 1.000*HO2 + 1.000*ALD2 8.2E-11*exp(45/T)
<CL21> HCL + OH = CL 6.58E-13*(T/300)(1.16)*exp(58/T)
<CL22> CL + TOL = HCL + 0.88*XO2 + 0.88*HO2 + 0.12*XO2N 6.1E-11
<CL23a> CL + XYLMN = HCL + 0.84*XO2 + 0.84*HO2 + 0.16*XO2N 1.2E-10
<CL23b> CL + NAPH = HCL + 0.84*XO2 + 0.84*HO2 + 0.16*XO2N 1.2E-10
<CL24> 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
<CL25> CLNO2 = CL + NO2 1.0/<CLNO2>
<SA01> TOLRO2 + NO = NO + TOLNRXN 2.70e-12*exp(360/T)
<SA02> TOLRO2 + HO2 = HO2 + TOLHRXN 1.90e-13*exp(1300/T)
<SA03> XYLRO2 + NO = NO + XYLNRXN 2.70e-12*exp(360/T)
<SA04> XYLRO2 + HO2 = HO2 + XYLHRXN 1.90e-13*exp(1300/T)
<SA05> BENZENE + OH = OH + 1.0*BENZRO2 2.47e-12*exp(-206/T)
<SA06> BENZRO2 + NO = NO + BNZNRXN 2.70e-12*exp(360/T)
<SA07> BENZRO2 + HO2 = HO2 + BNZHRXN 1.90e-13*exp(1300/T)
<SA08> SESQ + O3 = O3 + SESQRXN 1.16E-14
<SA09> SESQ + OH = OH + SESQRXN 1.97E-10
<SA10> SESQ + NO3 = NO3 + SESQRXN 1.90E-11
<SA11> PAHRO2 + NO = NO + PAHNRXN 2.70e-12*exp(360/T)
<SA12> PAHRO2 + HO2 = HO2 + PAHHRXN 1.90e-13*exp(1300/T)
<SA13> SOAALK + OH = OH + 0.47*ALKRXN 2.70e-12*exp(374/T)
<R63M> MACO3 + NO = FORM + NO2 + MEO2 6.7E-12*exp(340/T)
<R64M> MACO3 + NO2 = MAPAN 1.21E-11*(T/300)(-1.07)*exp(-0/T)
<R65M> MAPAN = MACO3 + NO2 1.6E + 16*exp(-13486/T)
<R66M> MAPAN = 0.6*MACO3 + 0.6*NO2 + 0.4*NO3 + 0.4*FORM + 0.4*C2O3 1.0/<PAN_IUPAC10>
<R67M> MAPAN + OH = ALD2 + CO + NO2 2.90e-11
<R68M> MACO3 + HO2 = 0.15*C2O3 + 0.44*FORM + 0.29*MEO2 + 0.29*CO + 0.44*OH + 0.15*AACD + 0.15*O3 + 0.41*PACD 5.2E-13*exp(980/T)
<R69M> MACO3 + MEO2 = 1.9*FORM + 0.9*HO2 + 0.3*C2O3 + 0.6*MEO2 + 0.1*AACD 2.0E-12*exp(500/T)
<R70M> MACO3 + XO2 = ALD2 + 0.3*C2O3 + 0.9*FORM + 0.6*MEO2 + 0.6*CO + 0.1*AACD 4.4E-13*exp(1070./T)
<R71M> MACO3 + CXO3 = ALD2 + XO2 + HO2 + FORM + 0.35*C2O3 + 0.65*CO 2.9E-12*exp(500/T)
<R72M> MACO3 + C2O3 = 1.65*MEO2 + FORM + 0.35*C2O3 + 0.65*CO 2.9E-12*exp(500/T)
<N08> NTRALK + OH = NALKO2 1.29e-12
<N08b> NALKO2 + NO = 1.30*NO2 + 0.15*NTRCN + 0.55*NTRCNOH 2.7e-12*exp(360/T)
<N08c> NALKO2 + HO2 = NTRPX 2.05e-13*exp(1300/T)
<N09> NTROH + OH = NOHO2 7.26E-12
<N09b> NOHO2 + NO = 1.22*NO2 + 0.53*NTRCN + 0.25*NTRCNOH 2.7e-12*exp(360/T)
<N09c> NOHO2 + HO2 = NTRPX 2.05e-13*exp(1300/T)
<N10> NTRCN + OH = NCNO2 1.1e-12
<N10b> NCNO2 + NO = 1.53*NO2 + 0.21*NTRCN + 0.26*NTRCNOH 2.7e-12*exp(360/T)
<N10c> NCNO2 + HO2 = NTRPX 2.05e-13*exp(1300/T)
<N11> NTRCNOH + OH = NCNOHO2 5.7e-12
<N11b> NCNOHO2 + NO = 1.24*NO2 + 0.59*NTRCNOH + 0.17*NTRCN 2.7e-12*exp(360/T)
<N11c> NCNOHO2 + HO2 = NTRPX 2.05e-13*exp(1300/T)
<N14> NTRPX + OH = NTRCN + OH 6.0E-12
<N15> NTRM + OH = NTRMO2 3.3e-11
<N15b> NTRMO2 + NO = 0.87*NO2 + 1.15*NTRI + 0.68*HO2 + 0.55*FORM + 0.15*ALD2 + 0.43*PAR 2.7e-12*exp(360/T)
<N15c> NTRMO2 + HO2 = NTRI 2.05e-13*exp(1300/T)
<N16> NTRI + OH = NTRIO2 2.32e-12
<N16b> NTRIO2 + NO = 1.40*NO2 + 0.60*NTRI 2.7e-12*exp(360/T)
<N16c> NTRIO2 + HO2 = NTRI 2.05e-13*exp(1300/T)
<N17> NTRM = NO2 + HO2 + 1.0*ALD2 + 1.0*IOLE 1.0/<NTR_IUPAC10>
<N18b> NTRI = NO2 + HO2 + 0.330*FORM + 0.330*ALD2 + 0.330*ALDX-0.660*PAR 1.0/<NOA_14>
<N19> NTRALK = NO2 + HO2 + 0.330*FORM + 0.330*ALD2 + 0.330*ALDX-0.660*PAR 1.0/<NTR_IUPAC10>
<N20> NTROH = NO2 + HO2 + 0.330*FORM + 0.330*ALD2 + 0.330*ALDX-0.660*PAR 1.0/<NTR_IUPAC10>
<N21> NTRCN = NO2 + HO2 + 0.330*FORM + 0.330*ALD2 + 0.330*ALDX-0.660*PAR 1.0/<NBO_14>
<N22> NTRCNOH = NO2 + HO2 + 0.330*FORM + 0.330*ALD2 + 0.330*ALDX-0.660*PAR 1.0/<NBO_14>
<N25> NTRPX = NO2 + HO2 + 1.0*ROOH 2.0/<NTR_IUPAC10>
<HET_NT1> NTRALK = HNO3 1.0~<HETERO_NTR2>
<HET_NT2> NTROH = HNO3 1.0~<HETERO_NTR2>
<HET_NT3> NTRCN = HNO3 1.0~<HETERO_NTR2>
<HET_NT4> NTRCNOH = HNO3 1.0~<HETERO_NTR2>
<HET_NT5> NTRPX = HNO3 1.0~<HETERO_NTR2>
<HET_NT6> NTRM = HNO3 1.0~<HETERO_NTR2>
<HET_NT7> NTRI = HNO3 1.0~<HETERO_NTR2>
<HET_N2O5IJ> N2O5 = HNO3 + H2NO3PIJ 1.0~<HETERO_N2O5IJ>
<HET_N2O5K> N2O5 = HNO3 + H2NO3PK 1.0~<HETERO_N2O5K>
<HET_H2NO3PIJA> H2NO3PIJ = HNO3 1.0~<HETERO_H2NO3PAIJ>
<HET_H2NO3PKA> H2NO3PK = HNO3 1.0~<HETERO_H2NO3PAK>
<HET_H2NO3PIB> H2NO3PIJ + ACLI = CLNO2 1.0~<HETERO_H2NO3PBIJ>
<HET_H2NO3PJB> H2NO3PIJ + ACLJ = CLNO2 1.0~<HETERO_H2NO3PBIJ>
<HET_H2NO3PKB> H2NO3PK + ACLK = CLNO2 1.0~<HETERO_H2NO3PBK>
<HET_N02> NO2 = 0.5*HONO + 0.5*HNO3 1.0~<HETERO_NO2>
<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 = AISO3J 1.0~<HETERO_IEPOX>
<OLIG_XYLENE1> AXYL1J = 1.1428*AOLGAJ 9.48816E-6
<OLIG_XYLENE2> AXYL2J = 1.1428*AOLGAJ 9.48816E-6
<OLIG_TOLUENE1> ATOL1J = 1.0000*AOLGAJ 9.48816E-6
<OLIG_TOLUENE2> ATOL2J = 1.0000*AOLGAJ 9.48816E-6
<OLIG_BENZENE1> ABNZ1J = 0.85714*AOLGAJ 9.48816E-6
<OLIG_BENZENE2> ABNZ2J = 0.85714*AOLGAJ 9.48816E-6
<OLIG_TERPENE1> ATRP1J = 1.0000*AOLGBJ 9.48816E-6
<OLIG_TERPENE2> ATRP2J = 1.0000*AOLGBJ 9.48816E-6
<OLIG_ISOPRENE1> AISO1J = 0.50*AOLGBJ 9.48816E-6
<OLIG_ISOPRENE2> AISO2J = 0.50*AOLGBJ 9.48816E-6
<OLIG_SESQT1> ASQTJ = 1.50*AOLGBJ 9.48816E-6
<OLIG_PAH1> APAH1J = 1.4286*AOLGAJ 9.48816E-6
<OLIG_PAH2> APAH2J = 1.4286*AOLGAJ 9.48816E-6
<OLIG_ALK1> AALK1J = 1.7143*AOLGAJ 9.48816E-6
<OLIG_ALK2> AALK2J = 1.7143*AOLGAJ 9.48816E-6
<RPOAGEPI> APOCI + OH = 1.25*APNCOMI + APOCI + OH 2.5E-12
<RPOAGELI> APNCOMI + OH = OH 1.0~<HETERO_PNCOMLI>
<RPOAGEPJ> APOCJ + OH = 1.25*APNCOMJ + APOCJ + OH 2.5E-12
<RPOAGELJ> APNCOMJ + OH = OH 1.0~<HETERO_PNCOMLJ>
<T01> FORM_PRIMARY + OH = OH 9.0E-12 tracer for emitted HCHO
<T02> FORM_PRIMARY + NO3 = NO3 5.8E-16
<T03> FORM_PRIMARY + O = O 3.4E-11*exp(-1600/T)
<T04> FORM_PRIMARY = 1.0/<FORM_R_IUPAC10>
<T05> FORM_PRIMARY = 1.0/<FORM_M_IUPAC10>
<TCL1> FORM_PRIMARY + CL = CL 8.2E-11*exp(-34/T)
<T06> ALD2_PRIMARY + OH = OH 5.6E-12*exp(270/T) tracer for emitted acetaldehyde
<T07> ALD2_PRIMARY + NO3 = NO3 1.4E-12*exp(-1900/T)
<T08> ALD2_PRIMARY + O = O 1.8E-11*exp(-1100/T)
<T09> ALD2_PRIMARY = 1.0/<ALD2_R_IUPAC10>
<TCL2> ALD2_PRIMARY + CL = CL 7.9E-11
<T10> BUTADIENE13 + OH = OH + 0.58*ACROLEIN 1.4E-11*exp(424./T)
<T11> BUTADIENE13 + O3 = O3 + 0.52*ACROLEIN 8.2E-15*exp(-2070./T)
<T12> BUTADIENE13 + NO3 = NO3 + 0.045*ACROLEIN 1.79E-13
<TCL3> BUTADIENE13 + CL = CL + 0.58*ACROLEIN 2.51E-10
<T14> ACRO_PRIMARY + OH = OH 2.0E-11 tracer for emitted acrolein
<T15> ACRO_PRIMARY + O3 = O3 2.61E-19
<T16> ACRO_PRIMARY + NO3 = NO3 1.7E-11*exp(-3131./T)
<T17> ACRO_PRIMARY = 1.0/<ACRO_09>
<TCL4> ACRO_PRIMARY + CL = CL 2.37E-10
<T18> ACROLEIN + OH = OH 2.0E-11
<T19> ACROLEIN + O3 = O3 2.61E-19
<T20> ACROLEIN + NO3 = NO3 1.7E-11*exp(-3131./T)
<T21> ACROLEIN = 1.0/<ACRO_09>
<TCL5> ACROLEIN + CL = CL 2.37E-10
<T22> TOLU + OH = OH 1.8E-12*exp(355./T)
<TCL6> TOLU + CL = CL 6.1E-11
<T23> MXYL + OH = OH 1.7E-11*exp(116./T)
<TCL7> MXYL + CL = CL 1.4E-10
<T24> OXYL + OH = OH 1.22E-11
<TCL8> OXYL + CL = CL 1.5E-10
<T25> PXYL + OH = OH 1.3E-11
<TCL9> PXYL + CL = CL 1.5E-10
<T26> APIN + O = O 2.79E-11
<T27> APIN + OH = OH 1.2E-11*exp(440./T)
<T28> APIN + O3 = O3 6.3E-16*exp(-580./T)
<T29> APIN + NO3 = NO3 1.2E-12*exp(490./T)
<TCL10> APIN + CL = CL 4.7E-10
<T30> BPIN + O = O 2.81E-11
<T31> BPIN + OH = OH 7.51E-11
<T32> BPIN + O3 = O3 1.74E-15*exp(-1260./T)
<T33> BPIN + NO3 = NO3 2.81E-11
<TCL11> BPIN + CL = CL 5.3E-10
<HG1> HG + O3 = 0.5*HGIIAER + 0.5*HGIIGAS + O3 2.11E-18*exp(-1256.5/T)
<HG2> HG + CL2 = HGIIGAS + CL2 2.6E-18
<HG3> HG + H2O2 = HGIIGAS + H2O2 8.5E-19
<HG4> HG + OH = 0.5*HGIIAER + 0.5*HGIIGAS + OH 7.7E-14
<HG5> HG + CL + M = 0.5*HG + 0.5*HGIIGAS + M + CL 2.25E-33*exp(-680.0/T)
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