Monte Carlo study of the CO-poisoning dynamics in a model for the catalytic oxidation of CO

Citation
Ev. Albano et J. Marro, Monte Carlo study of the CO-poisoning dynamics in a model for the catalytic oxidation of CO, J CHEM PHYS, 113(22), 2000, pp. 10279-10283
Citations number
25
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
113
Issue
22
Year of publication
2000
Pages
10279 - 10283
Database
ISI
SICI code
0021-9606(200012)113:22<10279:MCSOTC>2.0.ZU;2-T
Abstract
The poisoning dynamics of the Ziff-Gulari-Barshad [Phys. Rev. Lett. 56, 255 3 (1986)] model, for a monomer-dimer reaction, is studied by means of Monte Carlo simulations. Studies are performed within the monomer absorbing stat e and close to the coexistence point. Analysis of the average poisoning tim e (tau (p)) allows us to propose a phenomenological scaling approach in whi ch tau (p) diverges logarithmically with the lattice side and algebraically with the distance to the coexistence point. The structure of monomer clust ers during poisoning is analyzed and compared with observations at coexiste nce. (C) 2000 American Institute of Physics. [S0021-9606(00)51346-4].