Layered interfaces between immiscible liquids studied by density-functional theory and molecular-dynamics simulations.
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.
Geysermans
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P
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.
Elyeznasni
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N
Russier
V
V
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
D005740:Gases