On statistical models and prior distributions in the theory of chemical reactions

A. Ben-Shaul*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

15 Scopus citations

Abstract

Statistical models which yield rate expressions involving the asymptotic channel states are classified according to three main characteristics: (i) The ensemble in which framework the basic statistical assumption is formulated. This assumption states that the initial and final states of the collision are, partly or completely, independent. (ii) The "measure in phase" associated with the product state distribution. (iii) The extent to which dynamical considerations are incorporated into the model. In this connection the discussion will be confined to the effects of angular momentum restrictions. The diversity in statistical models is demonstrated by comparing the product vibrational rotational distributions obtained from several models for atom-diatom exchange reactions. Numerical results are presented for two exoergic reactions which involve different mass combinations. Particular attention is paid to a comparison between the objectives, assumptions and the final expressions for product state distributions corresponding to the so called phase space theory on the one hand and the prior (zero surprisal) limit of the information theoretic approach to molecular dynamics on the other.

Original languageEnglish
Pages (from-to)341-366
Number of pages26
JournalChemical Physics
Volume22
Issue number3
DOIs
StatePublished - 15 Jun 1977

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