Self-oscillations and chemical waves in CO oxidation on Pt and Pd: Kinetic Monte Carlo models

被引：6
|
作者：
Elokhin, V. I. [1 ,2 ]
Matveev, A. V. [1 ,2 ]
Gorodetskii, V. V. [1 ]
机构：
[1] Russian Acad Sci, Siberian Branch, Boreskov Inst Catalysis, Novosibirsk 630090, Russia
[2] Novosibirsk State Univ, Novosibirsk 630090, Russia
来源：
KINETICS AND CATALYSIS | 2009年 / 50卷 / 01期
基金：
俄罗斯基础研究基金会;
关键词：
CARBON-MONOXIDE OXIDATION; STATISTICAL LATTICE MODELS; FIELD ELECTRON; CATALYTIC-OXIDATION; CO+O-2 REACTION; COADS DIFFUSION; SURFACE; PLATINUM; PD(110); BEHAVIOR;
D O I：
10.1134/S0023158409010066
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：
Theoretical studies of the spatiotemporal dynamics of CO oxidation on Pt(100) and Pd(110) single crystal surfaces have been carried out by the kinetic Monte Carlo method. For both surfaces, Monte Carlo simulation has revealed oscillations of the CO2 formation rate and of the concentrations of adsorbed species. The oscillations are accompanied by wave processes on the model surface. Simulations have demonstrated that there is a narrow reaction zone when an oxygen wave propagates over the surface. The existence of this zone has been confirmed by experimental studies. Taking into account the anisotropy of the Pd(110) crystal has no effect on the oscillation period and amplitude, but leads to the formation of elliptic oxygen patterns on the surface. It is possible to obtain a wide variety of chemical waves (cellular and turbulent structures, spirals, rings, and strips) by varying the parameters of the computational experiment.
引用
收藏
页码：40 / 47
页数：8
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