TITLE

A perturbation theory for the calculation of the average survival time of diffusion influenced chemical reactions

AUTHOR(S)
Pagitsas, Michael
PUB. DATE
June 1992
SOURCE
Journal of Chemical Physics;6/1/1992, Vol. 96 Issue 11, p8497
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
A systematic perturbation theory is developed for the calculation of the average survival time, τ, and the long-time limit of the effective rate coefficient, k, of Brownian particles undergoing diffusion influenced chemical reaction. The chemical reaction is taking place in the bulk and is represented by a sink term, originally introduced by Wilemski and Fixman in the Smoluchowski equation, and depends on the reaction coordinate. The perturbation theory is based on a small dimensionless parameter, ε, which is a measure of the strength of the diffusive process relative to the reactive. Analytical expressions are obtained for the average survival time and the effective rate coefficient for an arbitrary nonequilibrium initial distribution of the reaction coordinate. The effective rate coefficient is reduced to that obtained by Wilemski and Fixman, who used the closure approximation, when the initial distribution of the reaction coordinate is the equilibrium one and keeping only the lowest order term in the perturbation expansion.
ACCESSION #
7614789

 

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