Effect of the coordination of the superficial site in the monomer-dimer reaction on a disordered substrate

被引:24
|
作者
Valencia, E
Cortés, J
Puschmann, H
机构
[1] Univ Chile, Fac Ciencias Fis & Matemat, Dept Quim Bas, Santiago, Chile
[2] Univ Catolica Santisima Concepc, Fac Ingn, Concepcion, Chile
关键词
computer simulations; models of nonequilibrium phenomena; models of surface chemical reactions; models of surface kinetics; Monte Carlo simulations; catalysis; surface chemical reaction;
D O I
10.1016/S0039-6028(00)00859-1
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
Using Monte Carlo simulation experiments, a study is made of the effect of the superficial coordination number in a square lattice of sites for the monomer-dimer surface reaction (Ziff, Gulari and Barshad model) in the case of disordered substrates showing geometric heterogeneity of the sites, such as the percolation clusters. An analysis is made of the change in character of the phase transitions and in the size of the reactive window in the phase diagram, and the results were also compared with mean field theoretical calculations for disordered systems. (C) 2000 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:L109 / L115
页数:7
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