MONTE-CARLO SIMULATIONS OF THE EFFECT OF PRESSURE ON ISOTHERMAL AND TEMPERATURE-PROGRAMMED DESORPTION-KINETICS

被引：36

作者：

LOMBARDO, SJ ^{[1
]}

BELL, AT ^{[1
]}

机构：

[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DEPT CHEM ENGN,BERKELEY,CA 94720

来源：

SURFACE SCIENCE | 1991年 / 245卷 / 1-2期

关键词：

D O I：

10.1016/0039-6028(91)90480-G

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：

A Monte Carlo simulation technique is presented for describing the adsorption, surface diffusion, and desorption kinetics of molecules from metal surfaces. Lateral interactions between adsorbed molecules are taken into account using the bond-order-conservation-Morse-potential method. The rate of desorption observed in the presence of a gas-phase species is higher than that observed in a vacuum. The increase in the apparent rate coefficient for desorption with increasing pressure can be ascribed to the effects of repulsive lateral interactions on the activation energy for desorption. The simulated kinetics are in good agreement with the experimentally-observed kinetics for the isothermal desorption of CO from polycrystalline Pd and for the temperature-programmed desorption of CO from Ni(100).

引用

页码：213 / 224

页数：12

共 37 条

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