Relations among the modern theories of diffusion-influenced reactions. I. Reduced distribution function theory versus memory function theory of Yang, Lee, and Shin

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초록

It is shown that exactly the same results of the memory function theory of diffusion-influenced reactions, presented by Yang, Lee, and Shin, can be derived from the nonequilibrium reduced distribution function (RDF) theory. Instead of the usual dynamic superposition approximation (SA), which has been widely used to truncate the hierarchy of RDF evolution equations, we introduce another type of truncation approximation. The new approximation provides simple analytic solutions that are in better agreement with the computer simulation and the known exact results than those obtained with the SA. (C) 1999 American Institute of Physics. [S0021-9606(99)51746-7].

키워드

REVERSIBLE-ARROW-C; RENORMALIZED KINETIC-THEORY; MONOMER-EXCIMER KINETICS; MANY-PARTICLE APPROACH; LONG-TIME BEHAVIOR; BIMOLECULAR REACTIONS; RELAXATION KINETICS; ASYMPTOTIC RELAXATION; CHEMICAL-REACTIONS; LIQUID
제목
Relations among the modern theories of diffusion-influenced reactions. I. Reduced distribution function theory versus memory function theory of Yang, Lee, and Shin
저자
Sung, J.; Lee, S.
DOI
10.1063/1.480366
발행일
1999-12
유형
Article
저널명
The Journal of Chemical Physics
권
111
호
22
페이지
10159 ~ 10170