Physical Sciences and Mathematics Commons^™

Section I: Thermodynamic Properties Of Hydrocarbon Radicals, Peroxy Hydrocarbon And Peroxy Chlorohydrocarbon Molecules And Radicals Section Ii: Kinetics And Reaction Mechanisms For : (1) Chloroform Pyrolysis And Oxidation (2) Benzene And Toluene Oxidation Under Atmospheric Conditions, Tsan-Horng Lay

Dissertations

Alkyl radicals are important active intermediates in gas phase photochemistry and combustion reaction systems. With the exception of a limited number of the most elementary radicals, accurate thermodynamic properties of alkyl radicals are either not available or only rough estimations exist. An H atom Bond Increment approach is developed and a data base [sic] is derived, for accurately estimating thermodynamic properties (ΔH_f°₂₉₈, S°₂₉₈ and Cp(T)) for generic classes of hydrocarbon radical species.

Reactions of alkyl radicals with molecular oxygen are one of the major reaction paths for these radicals in atmospheric photochemistry, oxidation of hydrocarbon …