Non equivalent adsorption sites on the ZGB catalytic reaction model

2003/09/24 by R. R. Fulco, Fulco, R. R., B. C. S. Grandi +1
Engineering · Physics and Astronomy · #Advanced Thermodynamics and Statistical Mechanics #Condensed Matter (cond-mat) #FOS: Physical sciences #Phase Equilibria and Thermodynamics #Theoretical and Computational Physics #cond-mat

paper · pdf · doi:10.48550/arxiv.cond-mat/0309550

9 pages, 4 figures

arxiv created 2003/09/24 · openalex publication_date 2003/09/24 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

We studied in this work a modified version of the Ziff, Gulari and Barshad (ZGB) model in which the adsorption probabilities of CO and O2 are site dependent. We employed Monte Carlo simulations to determine the phase diagram of the model as a function of the partial pressure of CO in the gaseous phase, and of the relative adsorption probabilities. For the case where there is no site with affinity only to O2 adsorption, we found that the non physical O-poisoned state disappears. This feature can not be seen in the usual ZGB model.

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