Study of a first-order irreversible phase transition in the Yaldran-Khan catalyzed reaction model.

E. S LOSCAR; E. V ALBANO

Granada, España

Congreso; 7th Granada Seminar on Computational Phisycs; 2002

Institute "Carlos I" for Theoretical and Computational Physics, University of Granada.

In this work is studied using the constant coverage (CC) ensemble and performing epidemic  simulations the first-order irreversible phase transitions (IPT) of the Yaldran-Khan model for the CO+NO reaction [1]. The CC method allow the study of hysteretic effects close to coexistence as well as the location of both the upper spinodal point and the coexistence point. Epidemic studies show that at coexistence the number of active sites decreases according to a (short-time) power-law followed by a (long-time) exponential decay. It is concluded that first-order IPT´s share many characteristic their reversible counterparts, such as the development of short ranged correlations, hysteretic effects, metastabilities,  etc. [1] Yaldran-Khan, J. Catal. 131, 369, (1991).