Effects of surface size on minimalistic stochastic models for the catalytic CO oxidation

M. Pineda, R. Imbihl and L. Schimansky-Geier

Physica A: Statistical Mechanics and its Applications, 2010, vol. 389, issue 6, 1178-1188

Abstract: The impact of surface size on two minimalistic models for the bistable CO oxidation is analytically studied. A simple model for the catalytic CO oxidation on nanoscale surfaces is analyzed by the chemical master equation. The analytical results predict a shift of the bistable region and cusp point in the global bifurcation diagram as a function of surface size. A reaction–diffusion stochastic model consisting of a collection of reactive subdomains locally coupled by CO diffusion is also considered. A local description of fluctuations can be obtained after applying a Weiss-type mean-field approximation. This approximation predicts, for infinitely many subdomains, a break of ergodicity and a bifurcation behavior like in first-order phase transitions as a function of surface size and coupling parameter. Analytical results are compared with Gillespie-type Monte Carlo simulations.

Keywords: CO oxidation; Monte Carlo simulations; Master equation (search for similar items in EconPapers)
Date: 2010
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:389:y:2010:i:6:p:1178-1188

DOI: 10.1016/j.physa.2009.11.024

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