ON A PHENOMENOLOGICAL MODEL FOR NONEQUILIBRIUM INTERACTION BETWEEN THERMALLY ACTIVATED CHEMICAL-REACTIONS

Authors
GORECKI J
Citation
J. Gorecki, ON A PHENOMENOLOGICAL MODEL FOR NONEQUILIBRIUM INTERACTION BETWEEN THERMALLY ACTIVATED CHEMICAL-REACTIONS, The Journal of chemical physics, 98(9), 1993, pp. 7269-7276
Citations number
19
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
The Journal of chemical physics → ACNP
ISSN journal
00219606
Volume
98
Issue
9
Year of publication
1993
Pages
7269 - 7276
Database
ISI
SICI code
0021-9606(1993)98:9<7269:OAPMFN>2.0.ZU;2-0
Abstract
A simple phenomenological model for time dependent nonequilibrium effe cts associated with a thermally activated chemical reaction is applied to describe the nonequilibrium coupling between many competing reacti ons. A good agreement with the results of molecular dynamics simulatio ns for a system with two competing reactions has been obtained. An ana lytical formula, which estimates the strength of nonequilibrium effect s, is derived.