Computer Simulation Study of the Wetting Behavior and Line Tensions of Nanometer Size Particulates at a Liquid-Vapor Interface

Abstract

We study the behavior of nanometer size particulates at a liquid-vapor interface by means of molecular dynamics simulations. We propose a methodology for computing the line tension using computer simulations, and present new data for the wetting of particulates at a planar liquid-vapor interface, as a function of particulate size. For the sizes considered in this work the line tension is negative and influences the wetting behavior of particulates at the liquid-vapor interface.