Layered interfaces between immiscible liquids studied by density-functional theory and molecular-dynamics simulations

摘要

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 supressing 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(pho,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.