Monte Carlo simulations of oscillations

被引：13
|
作者：
Jansen, APJ
机构：
[1] Lab. of Inorg. Chem. and Catalysis, Eindhoven University of Technology
来源：
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL | 1997年 / 119卷 / 1-3期
关键词：
Monte Carlo; lattice-gas model; oscillatory reactions;
D O I：
10.1016/S1381-1169(96)00476-1
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Results of Monte Carlo simulations of CO oxidation with site blocking, and of the Lotka model (A(gas) --> A(ads), B(ads) --> B(gas), A(ads) + B(ads) --> 2B(ads)) are presented. The introduction of a site blocking adsorbate can lead to oscillations in do oxidation. The system is bistable for certain coverages of the site blocking adsorbate; adsorption and desorption of that adsorbate drive the system from one stable state to the other and back The oscillations in the Lotka model are due to avalanches of A's that are converted into B's by the autocatalytic step. Normal rate equations are unable to describe these systems correctly.
引用
收藏
页码：125 / 134
页数：10
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