Response of a model of CO oxidation with CO desorption and diffusion to a periodic external CO pressure

被引:16
作者
Buendia, G. M.
Machado, E.
Rikvold, P. A.
机构
[1] Univ Simon Bolivar, Dept Phys, Caracas 1080, Venezuela
[2] Florida State Univ, Sch Computat Sci, Dept Phys, Tallahassee, FL 32306 USA
来源
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2006年 / 769卷 / 1-3期
基金
美国国家科学基金会;
关键词
catalytic oxidation; non-equilibrium system; lateral diffusion;
D O I
10.1016/j.theochem.2006.01.039
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
We present a study of the dynamical behavior of a Ziff-Gulari-Barshad model with CO desorption and lateral diffusion. Depending on the values of the desorption and diffusion parameters, the system presents a discontinuous phase transition between low and high CO coverage phases. We calculate several points on the coexistence curve between these phases. Inclusion of the diffusion term produces a significant increase in the CO2 production rate. We further applied a square-wave periodic pressure variation of the partial CO pressure with parameters that can be tuned to modify the catalytic activity. Contrary to the diffusion-free case, this driven system does not present a further enhancement of the catalytic activity, beyond the increase induced by the diffusion under constant CO pressure. (c) 2006 Elsevier B.V. All rights reserved.
引用
收藏
页码:189 / 192
页数:4
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