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Critical properties of the Ziff, Gulari, and Barshad (ZGB) model with inert sites.

作者信息

Hoenicke G L, de Andrade M F, Figueiredo W

机构信息

Departamento de Física, Universidade Federal de Santa Catarina, Forianópolis, 88040-900 SC, Brazil.

Universidade Federal de Santa Catarina, Campus de Araranguá, 88900-000 SC, Brazil.

出版信息

J Chem Phys. 2014 Aug 21;141(7):074709. doi: 10.1063/1.4892421.

DOI:10.1063/1.4892421
PMID:25149808
Abstract

We study the model proposed by Ziff, Gulari, and Barshad to mimic the oxidation of carbon monoxide (CO) in the presence of fixed impurities distributed over the catalytic surface. Our focus is on the continuous phase transition between the active phase, where occurs the production of carbon dioxide (CO2), and the inactive phase, where all the non inert sites become filled with oxygen molecules. We employ Monte Carlo simulations to calculate the different ratios between moments of the order parameter at the critical point, as well as, we determine the critical exponents β and ν⊥ as a function of the concentration of impurities. We show that the presence of impurities over the catalytic surface changes the critical behavior of the system. The critical exponents depend on the concentration of impurities and the model does not belong to the directed percolation universality class.

摘要

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