The molecular dynamic simulation results for the liquid-vapor interface of the pure Lennard-Jones fluid are presented. The thermodynamic properties, the surface tension and the effective thickness of interfa-cial layer are determined. The rough characteristic of the liquid-vapor interface is discussed with fractional Brownian motion theory. Thereupon the fractal dimension d of the liquid-vapor interface is obtained.
A molecular dynamics simulation model is established based on the well-known Lennard-Jones 12-6 potential function to determine the surface tension of a Lennard-Jones liquid-vapor interface. The simulation is carried out with argon as the working fluid of a given molecular number at different temperature and different truncated radius. It is found that the surface tension of a Lennard-Jones fluid is likely to be bigger for a bigger truncated radius, and tends to be constant after the truncated radius increased to a certain value. It is also found that the surface tension becomes smaller as the temperature increases.
