Liquid–vapor density profiles from equilibrium limit of diffusion equation for interacting particles

Liquid–vapor density profiles are derived from the equilibrium limit of diffusion equation for interacting particles. These profiles are in good agreement with classical hyperbolic tangent relation. For simple Lennard-Jones fluids, predicted density distributions agree with computer simulation data, but have a slightly sharper transition zone. For alkali metals with Lennard-Jones-like potentials, the new equations predict a very good average distribution with quite satisfactory agreement with Monte Carlo simulation results. For liquid metals and water surfaces, accurate interfacial profile predictions also can be achieved by using effective two-body potential data instead of Lennard-Jones parameters.

Analytical extension to one-dimensional diffusion equation for interacting particles is derived to predict monotonic density profile across the gas–liquid interface. The resulting density profiles are in good agreement with classical hyperbolic tangent relation.Figure optionsDownload as PowerPoint slide