Teil eines Buches,

Correlation Study on the Ziff-Gulari-Barshad Model with Inert Sites

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Abstract Book of the XXIII IUPAP International Conference on Statistical Physics, Genova, Italy, (9-13 July 2007)

Zusammenfassung

We studied a generalized version of the Ziff, Gulari, and Barshad model (1986), i.e., of the $A + B_2$ reaction, in order to accomodate for the presence of a given fraction of inert sites present on the substrate. Specifically, we show their impact on the kinetics of the catalysis, particularly on the time and spatial correlation of the reactants distribution on the surface. To study the time correlations in the system, we monitorize the evolution, in time, of a list of reactants of a specific specie. In the spatial correlation study, we measure the cluster-size distribution functions of both reactant species. We characterize the reactant cluster structure in the presence of impurities by resorting to use of the Hoshen-Kopelmann algorithm. We have found two diferent regimes of the time correlation, namely, an initial exponential decay one at short times, and a streched-exponential decay regime at late times of the number of surviving particles. We were also able to study the change on the nature of the first order dynamical phase transition by calculating the cluster-size distribution functions, relating their forms with the coverage of inert sites. Reference:\\ 1) Kinetic phase transition in an irreversible surface-reaction model. R. M. Ziff, E. Gulari, Y. Barshad. Phys. Rev. Lett., Vol. 56, pp.2553, 1986

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