A Monte Carlo simulation of the NO+CO reaction on Na-promoted platinum

被引：13

作者：

Williams, FJ

Aldao, CM

Palermo, A

Lambert, RM

机构：

[1] Univ Mar del Plata, Inst Mat Sci & Technol, CONICET, RA-7600 Mar Del Plata, Argentina

[2] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England

来源：

SURFACE SCIENCE | 1998年 / 412-13卷

关键词：

catalysis; models of surface kinetics; NO; platinum; sodium; surface chemical reaction;

D O I：

10.1016/S0039-6028(98)00385-9

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：

An irreversible surface reaction lattice-gas model for the reaction of carbon monoxide and nitric oxide on an Na-modified Pt(111) surface is presented. The effect of Na adatoms on the reaction kinetics is examined in terms of a "local" (i.e. short-range) model for alkali-promoted NO dissociation. Within this framework we also study the effects of extending the range of alkali-induced NO dissociation from nearest neighbour to next nearest neighbour sites. The influence of varying amounts of sodium on overall catalytic activity, reaction kinetics, and on the N-2/N2O selectivity are investigated by means of Monte Carlo simulations. It is found that the principal features of recent experimental data involving electrochemical promotion by Na of the CO+NO reaction over Pt are satisfactorily accounted for in terms of this model. (C) 1998 Elsevier Science B.V. All rights reserved.

引用

页码：174 / 183

页数：10

共 27 条

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[2]

2-2

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