Dynamic Monte Carlo Simulations of Oscillatory Reactions

R.J. Gelten, A.P.J. Jansen, R.A. Santen, van, J.J. Lukkien, J.P.L. Segers, P.A.J. Hilbers

Research output: Contribution to journalArticleAcademicpeer-review

5 Citations (Scopus)

Abstract

The dynamic Monte Carlo method has been used to simulate the 2 A + B-2 --> 2 AB reaction catalyzed by a reconstructing substrate. Oscillatory behavior and spatio-temporal is studied as a function of grid size. Spatio-temporal pattern formation has been simulated in various forms: cellular patterns, target patterns, rotating spirals, and turbulent patterns. Cellular patterns are a manifestation of a local synchronization mechanism in which all reaction fronts periodically extinguish each other. This illustrates that dynamic Monte Carlo simulations form a promising technique and can be used to predict macroscopic kinetic phenomena on a molecular basis
Original languageEnglish
Pages (from-to)415-428
JournalIsrael Journal of Chemistry
Volume38
Issue number4
Publication statusPublished - 1998

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