4c4,5 < * * --- > * UPDATED for JPL 10-6 (2011) by Julia Lee-Taylor, NCAR/CU 2015 * > * CAUTION! Must be used with spakkextra5 or later ! 69,70c70,78 < * NASA 2000 < GO3P + GNO2 => GNO : 5.60E-12 0. -180 ; --- > * NASA JPL 10-6 (2011) > GO3P + GNO2 => GNO : 5.10E-12 0. -210 ; > * > * NASA JPL 10-6 (2011) > *GO1D + GN2 => GO3P + GN2 : 2.15E-11 0. -110 ; > *GO1D + GO2 => GO3P + GO2 : 3.30E-11 0. -55 ; > * Since N2 and O2 are not explicitly considered, use TWO "+M" reactions: > GO1D + M => GO3P + M : 1.677E-11 0.0 -110. ; JPL 10-6 (O1D + N2): A = 2.15e-11 * 78% > GO1D + M => GO3P + M : 6.765E-12 0.0 -55. ; JPL 10-6 (O1D + O2): A = 3.3e-11 * 20.5% 72,75d79 < * SAPRC 99 based on IUPAC 1997 - rate constant < * estimated using 20.9% O2 and 79.1% N2 < GO1D + M => GO3P + M : 2.09E-11 0. -96 ; < * 77,78c81,82 < GO3 + GNO => GNO2 : 3.00E-12 0. 1500 ; < * --- > GO3 + GNO => GNO2 : 3.00E-12 0. 1500 ; > * 91c95 < * NASA 1997 --- > * NASA JPL 10-6 (2011), unchanged 94,95c98,99 < * IUPAC 1997 Supp V < GHO + GNO3 => GHO2 + GNO2 : 2.00E-11 0. 0 ; --- > * NASA JPL 10-6 (2011) > GHO + GNO3 => GHO2 + GNO2 : 2.20E-11 0. 0 ; 103,104c107,108 < * NASA 2000 < GHO + GO3 => GHO2 : 1.50E-12 0. 880 ; --- > * NASA JPL 10-6 (2011) > GHO + GO3 => GHO2 : 1.70E-12 0. 940 ; 106,107c110,111 < * IUPAC 1997 < GHO2 + GNO => GHO + GNO2 : 3.70E-12 0. -240 ; --- > * JPL 10-6 (2011) > GHO2 + GNO => GHO + GNO2 : 3.50E-12 0. -270 ; 112,113c116,117 < * NASA 2000 < GHO2 + GO3 => GHO : 2.00E-14 0. 680 ; --- > * JPL 10-6 (2011) > GHO2 + GO3 => GHO : 1.00E-14 0. 490 ; 115,116c119,120 < * NASA 1997 < GHO2 + GHO2 => GH2O2 : 2.30E-13 0. -600 ; --- > * JPL 10-6 (2011) - see also rxn EXTRA 501 > GHO2 + GHO2 => GH2O2 : 3.00E-13 0. -460 ; 118,119c122,123 < * NASA 1997 < GHO2 + GHO2 + M => GH2O2 + M : 1.70E-33 0. -1000 ; --- > * JPL 10-6 (2011) - see also rxn EXTRA 501 > GHO2 + GHO2 + M => GH2O2 + M : 2.10E-33 0. -920 ; 127,128c131,132 < * NASA 1997 < GH2O2 + GHO => GHO2 : 2.90E-12 0. 160 ; --- > * JPL 10-6 (2011) > GH2O2 + GHO => GHO2 : 1.80E-12 0. 0 ; 130,131c134,135 < * NASA 2000 < GHO + GHO2 => NOTHING : 4.80E-11 0. -250 ; --- > * NASA 2000 > GHO + GHO2 => NOTHING : 4.80E-11 0. -250 ; 133,134c137,138 < * NASA 1997 < GHO + GH2 => GHO2 : 5.5E-12 0. 2000 ; --- > * JPL 10-6 (2011) (note different products: previously HO2) > GHO + GH2 => GH2O + GH : 2.8E-12 0. 1800 ; 135a140,153 > * Reactions from Li et al (2015), after JPL 10-6 : relevant for PAM > GO1D + GCO2 => GO3P + GCO2 : 7.500E-11 0. -115 ; > GO1D + GO3 => 2.00 GO2 : 1.200E-10 0. 0 ; > GO1D + GO3 => 2.00 GO3P + GO2 : 1.200E-10 0. 0 ; > GO1D + GH2 => GHO + GH : 1.200E-10 0. 0 ; > GO3P + GHO => GH + GO2 : 2.200E-10 0. -180 ; > GO3P + GHO2 => GHO + GO2 : 3.000E-11 0. -200 ; > GO3P + GH2O2 => GHO2 + GO2 : 1.400E-12 0. 2000 ; > GO3 + GH => GHO + GO2 : 1.400E-10 0. 470 ; > GHO2 + GH => 2.00 GHO : 7.200E-11 0. 0 ; > GHO2 + GH => GO3P + GH2O : 1.600E-12 0. 0 ; > GHO2 + GH => GO2 + GH2 : 6.900E-12 0. 0 ; > GO3P + GNO3 => GNO2 + GO2 : 1.000E-11 0. 0 ; > GNO2 + GH => GHO + GNO : 4.000E-10 0. 340 ; 145c163 < * NASA 1997 --- > * JPL 10-6 (2011) 147,148c165,166 < 9.00E-32 2.0 0. < 2.20E-11 0.0 0. --- > 2.50E-32 1.8 0. > 2.20E-11 0.7 0. 156c174 < GN2O5 (+M) => GNO2 + GNO3 (+M) : 0.6 0. 0. 0. ; --- > GN2O5 (+M) => GNO2 + GNO3 (+M) : 0.6 0. 0. 0. ; 165,168c183,186 < * Troe, 2001 < GHO + GNO2 (+M) => GHNO3 (+M) : 0.4 0. 0. 0. ; < 3.00E-30 3.0 0. < 3.60E-11 0.0 0. --- > * JPL 10-6 (2011) > GHO + GNO2 (+M) => GHNO3 (+M) : 0.6 0. 0. 0. ; > 1.80E-30 3.0 0. > 2.80E-11 0.0 0. 170c188 < * IUPAC 1997 --- > * JPL 10-6 (2011) 172,173c190,191 < 1.80E-31 3.2 0. < 4.70E-12 0.0 0. --- > 2.00E-31 3.4 0. > 2.90E-12 0.0 0. 180c198 < * NASA 1997 --- > * JPL 10-6 (2011) 182,183c200,201 < 3.00E-31 3.3 0. < 1.50E-12 0.0 0. --- > 3.30E-31 4.3 0. > 1.60E-12 0.0 0. 184a203,207 > * Reaction 48 from Li et al (2015), after JPL 10-6 : relevant for PAM > GH + GO2 (+M) => GH2O2 (+M) : 0.6 0. 0. 0. ; > 4.40E-32 1.3 0. > 0.75E-10 0.2 0. > *---------------------- 188,189c211,216 < * NASA 2000 - rate constant is mult. by [O2] and [M] < GO3P + EXTRA => GO3 : 5.28E-28 -2.4 0. ; --- > * NASA JPL 10-6 (2011) - rate constant is mult. by [O2] and [M] > * from JPL10-6: k300 = 6.0E-34, n = 2.4, form k=k300(T/300)^-n > * Convert to form k = A.T^b.EXP(-E/R/T) as follows: > * A = k300/(300^-n), n = -b > * (Conversion is exact because (E/R) = 0) > GO3P + EXTRA => GO3 : 5.29E-28 -2.4 0. ; 192,193c219,220 < * NASA 2000 - rate constant is mult. by [H2O] < GO1D + EXTRA => 2. GHO : 2.20E-10 0. 0. ; --- > * JPL 10-6 (2011) - rate constant is mult. by [H2O] > GO1D + EXTRA => 2. GHO : 1.63E-10 0. -60. ; 203,208c230,238 < * NASA 1997 - rate constant is k = k1[H2O] + k2[H2O][M] < * k1 is given just after the reaction < * k2 is the first 3 numbers after the label < GHO2 + GHO2 + EXTRA => GH2O2 : 3.20E-34 0. -2800 ; < 501 : 2.38E-54 0. -3200 ; < * --- > * JPL 10-6 (2011) - rate const is k = (k1 + k2[M])(1 + k3[H2O]) > * k1 and k2 are given above. > * k3 (JPL 10-6) is 1.4E-21 0. -2200 > * multiplying k3 by k1 and k2 gives values for use in spakkextra4.f: > * k1k3 is the first set of 3 numbers > * k2k3 is the 3 numbers after the label > GHO2 + GHO2 + EXTRA => GH2O2 : 4.2E-34 0. -2660 ; > 501 : 2.94E-54 0. -3120 ; > *--------------------------------- 238d267 < * 252a282,291 > JPL 2011 : > Sander S.P., R.R. Friedl, J.R. Barker, D.M. Golden, > M.J. Kurylo, P.H. Wine, J.P.D. Abbatt, J.B. Burkholder, > C.E. Kolb, G.K. Moortgat, R.E. Huie, V.L. Orkin, > Chemical Kinetics and Photochemical Data for Use in > Atmospheric Studies, Evaluation No. 17, JPL Publication 10-6, > Jet Propulsion Laboratory, Pasadena, Califonia > > Li, R. et al, J Phys Chem A, 1990, 4418-4432, doi:10.1021/jp509534k, 2015. > 262,263c301,302 < G.K. Moortgat, Chemical kinetics and photochemical data for use < in stratospheric modeling, JPL Publication 00-3, Jet Propulsion --- > G.K. Moortgat, Chemical kinetics and photochemical data for use > in stratospheric modeling, JPL Publication 00-3, Jet Propulsion 266c305 < Stutz J., E.S. Kim, U. Platt, P. Bruno, C. Perrino and A. Febo, --- > Stutz J., E.S. Kim, U. Platt, P. Bruno, C. Perrino and A. Febo, 270c309 < Troe J., Analysis of the temperature and pressure dependence of the --- > Troe J., Analysis of the temperature and pressure dependence of the