(347b) Liquid-Vapor Density Profiles from Equilibrium Limit of Diffusion Equation for Interacting Particles
AIChE Annual Meeting
2008
2008 Annual Meeting
Engineering Sciences and Fundamentals
Fundamentals of Interfacial Phenomena III
Tuesday, November 18, 2008 - 3:40pm to 4:00pm
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.