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Estimation of rate constants of elementary processes - A review of the state of the art.'Thermochemical kinetics,' the codification and extrapolation of empirical observations, as applied to certain elementary reactions of importance to combustion studies, is described. This approach allows the critical scrutiny of experimental data in areas where sufficient previous data exist, while, at the same time, illuminating those key areas where more experimentation is crucial. It is shown that combination of transition-state theory with an understanding of the molecular basis of entropy puts fairly rigid constraints on the values of the Arrhenius A-factor for most reactions. This, in turn, means that the activation energy is often the key datum that is missing, and that such data can be obtained with some degree of confidence, even from measurements of rate constants at only one temperature. In complex mechanisms, it is often possible to distinguish among alternate pathways and pinpoint key processes.
Document ID
19730057957
Acquisition Source
Legacy CDMS
Document Type
Conference Proceedings
Authors
Golden, D. M.
(Stanford Research Institute Menlo Park, Calif., United States)
Date Acquired
August 7, 2013
Publication Date
January 1, 1973
Subject Category
Thermodynamics And Combustion
Meeting Information
Meeting: International Symposium on Combustion
Location: University Park, PA
Start Date: August 20, 1972
End Date: August 25, 1972
Accession Number
73A42759
Distribution Limits
Public
Copyright
Other

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