A THEORETICAL STOCHASTIC-MODEL FOR THE A-1(B)2(2)-]0 REACTION/

Citation
J. Mai et al., A THEORETICAL STOCHASTIC-MODEL FOR THE A-1(B)2(2)-]0 REACTION/, The Journal of chemical physics, 98(12), 1993, pp. 17-25
Citations number
19
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
98
Issue
12
Year of publication
1993
Pages
17 - 25
Database
ISI
SICI code
0021-9606(1993)98:12<17:ATSFTA>2.0.ZU;2-P
Abstract
A surface reaction model for the A + 1/2B2 --> 0 reaction is studied b y a theoretical approach. To this end, we introduce a stochastical ans atz which describes the system behavior by master equations. These equ ations are solved numerically in the superposition approximation. The results of the theoretical description are in good agreement with the corresponding computer simulations of the system. We focus our interes t on the study of oscillations. The correlation functions and the para meter ranges m which oscillations are possible are studied in detail. This model as well as the computer simulations describe some aspects o f the heterogeneously catalyzed oxidation of CO on a Pt surface.