title: Layered interfaces between immiscible liquids studied by density-functional theory and molecular-dynamics simulations.
abstract: We present a study of the structure in the interface between two immiscible liquids by density-functional theory and molecular-dynamics calculations. The liquids are modeled by Lennard-Jones potentials, which achieve immiscibility by suppressing the attractive interaction between unlike particles. The density profiles of the liquids display oscillations only in a limited part of the simple liquid-phase diagram (rho,T). When approaching the liquid-vapor coexistence, a significant depletion appears while the layering behavior of the density profile vanishes. By analogy with the liquid-vapor interface and the analysis of the adsorption this behavior is suggested to be strongly related to the drying transition.
authors.affiliation: Centre d'Etudes de Chimie Metallurgique (CECM), UPR2801 Centre National de la Recherche Scientifique (CNRS), 15 rue Georges Urbain, 94407 Vitry-sur-Seine Cedex, France.
authors.forename: P
authors.initials: P
authors.lastname: Geysermans
authors.forename: N
authors.initials: N
authors.lastname: Elyeznasni
authors.forename: V
authors.initials: V
authors.lastname: Russier
mesh_terms: D000327:Adsorption; D002627:Chemistry, Physical / Q000379:methods*; D003198:Computer Simulation; D005740:Gases; D008956:Models, Chemical; D015233:Models, Statistical; D008962:Models, Theoretical; D009991:Oscillometry; D013696:Temperature
chemical_list: D005740:Gases