Influence of diffusion on the kinetics of excited-state association-dissociation reactions: Comparison of theory and simulation

Alexander V. Popov*, Noam Agmon, Irina V. Gopich, Attila Szabo

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

26 Scopus citations

Abstract

The predictions of several modern theories for the kinetics of the excited-state diffusion-influenced association-dissociation reaction were compared. The theories included, multiparticle kernel decoupling approximations, relaxation time approximation (RTA) and the kinetic theory. It was shown that in the irreversible limit, none of these theories reduce to the Smoluchowski result. The modification of RTA, so that the resulting formalism does reduce correctly in the irreversible limit for the pseudo-first-order target problem was shown.

Original languageEnglish
Pages (from-to)6111-6116
Number of pages6
JournalJournal of Chemical Physics
Volume120
Issue number13
DOIs
StatePublished - 1 Apr 2004

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