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Irreversible phase transitions in a dimer - monomer - monomer reaction model

Ezequiel V Albano

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A multiple-reaction irreversible surface reaction model involving one dimer and two different monomers (A and C) is proposed and studied by means of Monte Carlo simulations. This dimer - monomer - monomer (DMM) model is suitable to investigate, on the one hand, the influence caused by dimer traces on the behaviour of the monomer - monomer (MM) model, i.e. , and on the other hand, the effects of monomer traces on the dimer - monomer (DM) model, i.e. , which mimics the catalytic oxidation of carbon monoxide (B is O, A is CO and AB is CO). The DMM model exhibits irreversible phase transitions (IPTs) between poisoned states with the surface saturated by adsorbed species and reactive regimes with production of AB, AC and BC. The critical points at which second- and first-order IPTs take place are determined. Second-order IPTs belong to the universality class of directed percolation. However, universality is not found to hold at first-order IPTs due to short-range correlations. So, each critical point has its own set of critical exponents. These exponents smoothly cross over from values characteristic of the DM model to those of the MM model.


PACS

64.60.Ht Dynamic critical phenomena

64.60.A- Specific approaches applied to studies of phase transitions

MSC

82C43 Time-dependent percolation (See also 60K35)

82C26 Dynamic and nonequilibrium phase transitions (general)

82C27 Dynamic critical phenomena

82C80 Numerical methods (Monte Carlo, series resummation, etc.)

Subjects

Condensed matter: structural, mechanical & thermal

Dates

Issue 13 (7 July 1996)

Received 9 November 1995



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