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The monolayer adsorption process of interacting binary mixtures of species$A$ and $B$ on square lattices is studied through grand canonical Monte Carlosimulation in the framework of the lattice-gas model. Four different energieshave been considered in the adsorption process: 1) $\epsilon_0$, interactionenergy between a particle (type $A$ or $B$) and a lattice site; 2) $w_{AA}$,interaction energy between two nearest-neighbor $A$ particles; 3) $w_{BB}$,interaction energy between two nearest-neighbor $B$ particles; 4)$w_{AB}=w_{BA}$, interaction energy between two nearest-neighbors being one oftype $A$ and the other of type $B$. The adsorption process has been monitoredthrough total and partial isotherms and differential heats of adsorptioncorresponding to both species of the mixture. Our main interest is in therepulsive lateral interactions, where a variety of structural orderings arisein the adlayer, depending on the interaction parameters ($w_{AA}$, $w_{BB}$ and$w_{AB}$). At the end of this work, we determine the phase diagramcharacterizing the phase transitions occurring in the system. A nontrivialinterdependence between the partial surface coverage of both species isobserved.

Monte Carlo study of multicomponent monolayer adsorption on square lattices