Nonequilibrium distribution function formalism for diffusion-influenced bimolecular reactions: Beyond the superposition approximation

被引：55

作者：

Sung, J ^{[1
]}

Lee, S

机构：

[1] Seoul Natl Univ, Dept Chem, Seoul 151742, South Korea

[2] Seoul Natl Univ, Ctr Mol Catalysis, Seoul 151742, South Korea

来源：

JOURNAL OF CHEMICAL PHYSICS | 1999年 / 111卷 / 03期

关键词：

D O I：

10.1063/1.479367

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We introduce an improved and systematic procedure for solving the diffusion-influenced reaction kinetics problem based on a hierarchical set of kinetic equations for many-particle distribution functions. As a representative example, we apply the formalism to the reversible association kinetics problem. The new method gives an approximate analytic solution which is in almost perfect agreement with the Brownian dynamics simulation results for the whole time range. It is shown that results of previous nonequilibrium distribution function theories are reproduced as lower order solutions in the present formalism. (C) 1999 American Institute of Physics. [S0021-9606(99)50422-4].

引用

页码：796 / 803

页数：8

共 39 条

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