Microscopic simulation of a chemical instability
- 1 February 1992
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 96 (3) , 2000-2004
- https://doi.org/10.1063/1.462102
Abstract
We present a direct simulation of a reacting dilute mixture, for which the corresponding rate equations for the concentrations display a limit cycle behavior when the system is forced out of equilibrium by an external mass current. The time dependent concentrations computed in the simulation compare well with the solutions of the macroscopic rate equations. We also find agreement between the microscopic simulations results and a Langevin description for what concerns the concentration fluctuations in the system below and beyond the bifurcation point. © 1992, American Institute of Physics. All rights reserved.SCOPUS: ar.jinfo:eu-repo/semantics/publisheKeywords
This publication has 18 references indexed in Scilit:
- The brusselator: it does oscillate all the sameJournal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases, 1988
- Bistable and oscillating chemical reactionsJournal of Statistical Physics, 1987
- Onset of spatial correlations in nonequilibrium systems: A master-equation descriptionPhysical Review A, 1984
- Asymptotic properties of markovian master equationsAnnals of Physics, 1981
- Chemical InstabilitiesPublished by Wiley ,1980
- Dynamic correlation functions in the BrusselatorZeitschrift für Physik B Condensed Matter, 1979
- Dynamical correlations near instabilities in nonlinear chemical reaction systemsZeitschrift für Physik B Condensed Matter, 1978
- Master equations, Langevin equations, and the effect of diffusion on concentration fluctuationsThe Journal of Chemical Physics, 1977
- Symmetry Breaking Instabilities in Dissipative Systems. IIThe Journal of Chemical Physics, 1968
- The chemical basis of morphogenesisPhilosophical Transactions of the Royal Society of London. B, Biological Sciences, 1952