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Liquid-vapor density profiles from equilibrium limit of diffusion equation for interacting particles
Y Chen1, G L Aranovich, M D Donohue
1Department of Chemical and Biomolecular Engineering, The Johns Hopkins University, Baltimore, MD 21218, USA.
Abstract:
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.
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