Efficient Monte Carlo methods for the simulation of catalytic surface reactions

被引：179

作者：

Lukkien, JJ

Segers, JPL

Hilbers, PAJ

Gelten, RJ

Jansen, APJ

机构：

[1] Eindhoven Univ Technol, Dept Math & Comp Sci, NL-5600 MB Eindhoven, Netherlands

[2] Eindhoven Univ Technol, Dept Inorgan Chem & Catalysis, NL-5600 MB Eindhoven, Netherlands

来源：

PHYSICAL REVIEW E | 1998年 / 58卷 / 02期

关键词：

D O I：

10.1103/PhysRevE.58.2598

中图分类号：

O35 [流体力学]; O53 [等离子体物理学];

学科分类号：

070204 ; 080103 ; 080704 ;

摘要：

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.

引用

页码：2598 / 2610

页数：13

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