Excluded volume effects on the diffusion-influenced reaction: The many-particle kernel approach

Citation
J. Lee et al., Excluded volume effects on the diffusion-influenced reaction: The many-particle kernel approach, J CHEM PHYS, 113(19), 2000, pp. 8686-8692
Citations number
33
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
113
Issue
19
Year of publication
2000
Pages
8686 - 8692
Database
ISI
SICI code
0021-9606(20001115)113:19<8686:EVEOTD>2.0.ZU;2-9
Abstract
In most theories of diffusion-influenced reactions, the reaction system is assumed to consist of a central reactant molecule surrounded by the other r eactant molecules that pass each other freely. That is, excluded volumes am ong the like reactant molecules are neglected. We use the many-particle ker nel formalism to investigate the effect of excluded volumes on the diffusio n-influenced reaction. We obtain approximate analytic expressions for the m any-particle kernel and the time profile of the survival probability of rea ctant molecules. The result is shown to be in good agreement with the Brown ian dynamics simulation. (C) 2000 American Institute of Physics. [S0021-960 6(00)51543-8].