Monte Carlo study of binary mixtures adsorbed on square lattices

• Published in: Surface science Vol. 606; no. 1; pp. 83 - 90
• Main Authors: García, G.D., Sánchez-Varretti, F.O., Bulnes, F., Ramirez-Pastor, A.J.
• Format: Journal Article
• Language: English
• Published: Kidlington Elsevier B.V 2012; Elsevier
• Subjects: Adsorption isotherms; Binary mixtures; Computer simulation; Condensed matter: electronic structure, electrical, magnetic, and optical properties; Condensed matter: structure, mechanical and thermal properties; Cross-disciplinary physics: materials science; rheology; Equilibrium thermodynamics and statistical mechanics; Exact sciences and technology; Heat of adsorption; Isotherms; Lattices; Monte Carlo methods; Monte Carlo simulations; Phase diagrams; Physics; Surface chemistry; Surface thermodynamics; Adsorption isotherms; Surface thermodynamics; Monte Carlo simulations; Equilibrium thermodynamics and statistical mechanics; Monte Carlo methods; Thermodynamic model; Digital simulation; Square lattices; Statistical mechanics; Binary mixtures; Thermodynamic equilibrium

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 correspondi...