title: Phase behavior of mixed Ar-Kr, Ar-Xe and Kr-Xe monolayer films on graphite: a Monte Carlo study.
abstract: Using Monte Carlo simulation methods in the grand canonical ensemble we have studied the behavior of mixed Ar-Kr, Ar-Xe and Kr-Xe monolayer films on the graphite basal plane. We have considered the adsorption of the lighter component, either argon or krypton, under the condition of a fixed chemical potential of the heavier component (krypton or xenon), as well as on the graphite surface with preadsorbed small amounts of a heavier noble gas. In both types of simulation the composition of the adsorbed layer is not conserved. We discuss the phase behavior of mixed films emerging from both types of 'computer experiment'. We also demonstrate that Monte Carlo simulation allows us to estimate the effects of preadsorbed xenon on the commensurate-incommensurate transition in the krypton monolayer film and gives the results that are in good quantitative agreement with experimental data.
authors.affiliation: Department for the Modelling of Physico-Chemical Processes, Faculty of Chemistry, MCS University, Lublin, Poland. andrzej.patrykiejew@gmail.com
authors.forename: A
authors.initials: A
authors.lastname: Patrykiejew
mesh_terms: D000042:Absorption; D003198:Computer Simulation; D006108:Graphite / Q000737:chemistry*; D008567:Membranes, Artificial; D008956:Models, Chemical; D008958:Models, Molecular; D015233:Models, Statistical; D009010:Monte Carlo Method; D005741:Noble Gases / Q000737:chemistry*; D044367:Phase Transition; D013499:Surface Properties
chemical_list: D008567:Membranes, Artificial; D005741:Noble Gases; D006108:Graphite