Different description levels of chemical wave front and propagation speed selection

Citation
A. Lemarchand et B. Nowakowski, Different description levels of chemical wave front and propagation speed selection, J CHEM PHYS, 111(14), 1999, pp. 6190-6196
Citations number
35
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
111
Issue
14
Year of publication
1999
Pages
6190 - 6196
Database
ISI
SICI code
0021-9606(19991008)111:14<6190:DDLOCW>2.0.ZU;2-7
Abstract
The results of stochastic descriptions and microscopic simulations of a che mical wave front propagating into an unstable stationary state are compared to investigate the problem of speed selection. Three different effects, th e space discretization, the mean number of particles in a cell, and the dev iation from equilibrium molecular velocity distribution, are shown to induc e corrections to the propagation speed predicted by a macroscopic continuou s description. The speed correction due to the perturbation of the particle velocity distribution in the presence of a fast reaction is isolated from the other effects. (C) 1999 American Institute of Physics. [S0021-9606(99)5 1636-X].