Monte Carlo study of binary mixtures adsorbed on square lattices

The monolayer adsorption of interacting binary mixtures on 2D square lattices has been studied through grand canonical Monte Carlo simulation in the framework of the lattice-gas model. The process has been monitored through total and partial isotherms and differential heats of adsorption corresponding to both species of the mixture. Repulsive lateral interactions between the adsorbed particles have been considered, resulting in a rich variety of structural orderings in the adlayer. At the end of this work, the phase diagram characterizing the transitions occurring in the system has been determined. A nontrivial interdependence between the partial surface coverage of both species was observed and discussed. (C) 2011 Elsevier B.V. All rights reserved.