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
相关论文
共 19 条
[1]   Granulation, Phase Change, and Microstructure - Kinetics of Phase Change. III [J].
Avrami, M .
JOURNAL OF CHEMICAL PHYSICS, 1941, 9 (02) :177-184
[2]   Kinetics of phase change I - General theory [J].
Avrami, M .
JOURNAL OF CHEMICAL PHYSICS, 1939, 7 (12) :1103-1112
[3]  
Avrami M., 1940, J CHEM PHYS, V8, P212, DOI [10.1063/1.1750631, DOI 10.1063/1.1750631]
[4]  
Bond G. C., 1987, CATALYSIS PRINCIPLES
[5]  
CHRISTMANN K, 1994, SURF SCI REP, V20, P111
[6]  
Ehsasi M., 1989, Journal of Chemical Physics, V91, P4949, DOI 10.1063/1.456736
[7]   Effects of lateral diffusion on morphology and dynamics of a microscopic lattice-gas model of pulsed electrodeposition [J].
Frank, S ;
Roberts, DE ;
Rikvold, PA .
JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (06)
[8]   Hysteresis phenomena in CO catalytic oxidation system in the presence of inhomogeneities of the catalyst surface [J].
Hua, DY ;
Ma, YQ .
PHYSICAL REVIEW E, 2002, 66 (06) :6-066103
[9]  
IMBHIL R, 1995, CHEM REV, V95, P697
[10]  
Jensen HJ, 1999, SELF ORG CRITICALITY