G111 A Molecular Dynamics Study on the Influences of Nanostructure Geometry on the Liquid Molecular Behavior and the Force Balance at a Liquid-Solid Interface

Abstract

Molecular dynamics simulations were conducted for a thin liquid film on a nanometer-scale slit pore using the 12-6 Lennard-Jones potential, and the mechanical balance including the pressure and the force distribution acting on the liquid film was investigated so as to elucidate the mechanism of the liquid wetting phenomena of a nanometer-scale slit pore from a molecular point of view. The results show that the z component of the force acting on the liquid molecules in the vicinity of the entrance of the slit becomes weak with the increase of the liquid-solid interaction intensity, although the pressure in the system is constant regardless of the variation of the liquid-solid interaction intensity.