Study on Molecular Boundary Conditions for Nonequilibrium Liquid-Vapor Interface

Abstract

We have examined the molecular boundary condition of nonequilibrium interface to develop a kinetic theory of gas by using nonequilibrium molecular dynamics (NEMD) simulation and direct simulation Monte Carlo (DSMC). The NEMD shows that the velocity distribution of reflected molecules is different from the equation obtained for the equilibrium condition and the DSMC indicates that the molecular boundary condition for the reflected molecules plays an important role in the temperature jump at the interface.