Pre-exponential uncertainty sources: “A-factor” a Hessler J. Calculation of Reactive Sections and Microcanonical Rates from Kinetics and Thermochemical Data. J Phys Chem A 1998;102:4517-4526. b Brower L, Cobos C, Troe J, Dubal H, and Crim H. Specific rate constants k(E,J) and product state distributions in simple bond fission reactions. II. Application to HOOH = OH+OH. J Chem Phys 1987;86 : 6171-6182. c Baulch D, Cobos C, Cox R, Esser C, Frank P, Just T, Kerr J, Pilling M, Troe J, Walker R, Warnatz J. Evaluated Kinetic Data for Combustion Modeling. J Phys Chem Ref. Data 1992;21:411-429 d Not available, assumed multiplicative uncertainty factor of 5. e Nominal parameters from Mehl et al. 2011 kinetic mechanism [2]
Pre-exponential “A-factor” uncertainty sources: a Hessler J. Calculation of Reactive Sections and Microcanonical Rates from Kinetics and Thermochemical Data. J Phys Chem A 1998;102:4517-4526. b Brower L, Cobos C, Troe J, Dubal H, and Crim H. Specific rate constants k(E,J) and product state distributions in simple bond fission reactions. II. Application to HOOH = OH+OH. J Chem Phys 1987;86 : 6171-6182. c Baulch D, Cobos C, Cox R, Esser C, Frank P, Just T, Kerr J, Pilling M, Troe J, Walker R, Warnatz J. Evaluated Kinetic Data for Combustion Modeling. J Phys Chem Ref. Data 1992;21:411-429 d Not available, assumed multiplicative uncertainty factor of 5. e Nominal parameters from Mehl et al. 2011 kinetic mechanism [2]