Efficient Monte Carlo methods for the simulation of catalytic surface reactions

J. J. Lukkien; J. P. L. Segers; P. A. J. Hilbers; R. J. Gelten; A. P. J. Jansen

doi:10.1103/PhysRevE.58.2598

Efficient Monte Carlo methods for the simulation of catalytic surface reactions

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

Phys. Rev. E 58, 2598 – Published 1 August 1998

Abstract

Monte Carlo methods for the simulation of the dynamic behavior of surface reactions are developed, based on the chemical master equation. The methods are stated in a general framework which makes them applicable to a variety of models. Three methods are developed. A comparative analysis of the performance of the three methods, both theoretically and empirically, is included.

Received 28 January 1998

DOI:https://doi.org/10.1103/PhysRevE.58.2598

Authors & Affiliations

J. J. Lukkien^*, J. P. L. Segers, and P. A. J. Hilbers

Department of Mathematics and Computing Science, Eindhoven University of Technology, P.O. Box 513, 5600 MB, Eindhoven, The Netherlands

R. J. Gelten and A. P. J. Jansen

Department of Inorganic Chemistry and Catalysis, Eindhoven University of Technology, P.O. Box 513, 5600 MB, Eindhoven, The Netherlands

^*Electronic address: johanl@win.tue.nl

References (Subscription Required)

Click to Expand

Issue

Vol. 58, Iss. 2 — August 1998

Reuse & Permissions

Access Options

Author publication services for translation and copyediting assistance advertisement

Physical Review E

covering statistical, nonlinear, biological, and soft matter physics