Accession Number : AD0607378

Title :   UNIMOLECULAR DECOMPOSITION AND SOME ISOTOPE EFFECTS OF SIMPLE ALKANES AND ALKYL RADICALS,

Corporate Author : WASHINGTON UNIV SEATTLE

Personal Author(s) : Rabinovitch,B. S. ; Setser,D. W.

Report Date : 01 JUN 1964

Pagination or Media Count : 132

Abstract : The relevant aspects of the RRKM formulation for unimolecular reactions are set forth, with emphasis on the present status of the theory and the best techniques for carrying out computations simply. Characteristics of various model hydrocarbon-type molecular species are outlined and are used in theoretical calculations which illustrate various aspects of the theory. Some related aspects of kinetic isotope effects are considered and model calculations are also done for hydrogen-deuterium substitutions. It is shown how the specific rate constants are related to the experimental parameters of the various systems. The behavior of some Cl-C4 alkanes and alkyl radicals are calculated as examples of highly important practical systems.

Descriptors :   (*ALIPHATIC COMPOUNDS, DECOMPOSITION), (*PHOTOCHEMICAL REACTIONS, ALIPHATIC COMPOUNDS), (*THERMOCHEMISTRY, ALIPHATIC COMPOUNDS), CHEMICAL REACTIONS, THEORY, MATHEMATICAL MODELS, HYDROCARBONS, REACTION KINETICS, ISOTOPES, HYDROGEN, DEUTERIUM, SUBSTITUTION REACTIONS, CHEMICAL BONDS, ATOMIC ENERGY LEVELS, FREE RADICALS, METHANE, BUTANES

Distribution Statement : APPROVED FOR PUBLIC RELEASE