New techniques for the study of non-equilibrium effects in non-first-order systems

Carmay Lim, Donald G. Truhlar

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

We demonstrate that the phenomenological rate constants for a second-order system far from equilibrium may be calculated by eigenanalysis of a linearized master equation. We also calculate some of these rate constants by a simple iterative method. The results are in good agreement with numerical integration of the non-linear master equation. Furthermore the eigenanalysis provides additional insights into the mechanism of non-equilibrium effects.

Original languageEnglish (US)
Pages (from-to)253-257
Number of pages5
JournalChemical Physics Letters
Volume114
Issue number3
DOIs
StatePublished - Mar 1 1985

Bibliographical note

Funding Information:
This work was supportedi n part by the National Science Foundation under grant No. CHE83-17944.

Copyright:
Copyright 2014 Elsevier B.V., All rights reserved.

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