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Phase diagrams of the Ziff–Gulari–Barshad model on random networks
Author(s) -
Vilela Edda B.,
Fernandes Henrique A.,
Paranhos Costa Fábio L.,
Gomes Paulo F.
Publication year - 2020
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.26366
Subject(s) - phase diagram , statistical physics , monte carlo method , random graph , graph , mathematics , thermodynamics , phase (matter) , discrete mathematics , physics , statistics , quantum mechanics
In this study, we revisited the Ziff–Gulari–Barshad (ZGB) model in order to study the behavior of its phase diagram when two well‐known random networks play the role of the catalytic surfaces: the random geometric graph and the Erdös–Rényi network. The connectivity and, therefore, the average number of neighbors of the nodes of these networks can vary according to their control parameters, the neighborhood radius α , and the linking probability p , respectively. In addition, the catalytic reactions of the ZGB model are governed by the parameter y , the adsorption rate of carbon monoxide molecules on the catalytic surface. So, to study the phase diagrams of the model on both random networks, we carried out extensive steady‐state Monte Carlo simulations in the space parameters ( y , α ) and ( y , p ) and showed that the continuous phase transition is greatly affected by the topological features of the networks while the discontinuous one remains present in the diagram throughout the interval of study.