On the mean field treatment of attractive interactions in nonuniform simple fluids

Details On the mean field treatment of attractive interactions in nonuniform simple fluids On the mean field treatment of attractive interactions in nonuniform simple fluids

2001-04-18

arxiv.org/abs/cond-mat/0104317v1

Physics

Condensed Matter

Statistical Mechanics

to be published in J.Phys.Chem

Scientific paper

We study thermodynamic and structural properties of a Lennard-Jones liquid at a state very close to the triple point as the radius of a hard sphere solute is varied. Oscillatory profiles arise for small, molecular sized radii while for large radii smooth interfaces with a ``drying layer'' of low vapor density near the solute are seen. We develop a quantitative theory for this process using a new mean field treatment where the effects of attractive interactions are described in terms of a self-consistently chosen effective single particle field. We modify the usual simple molecular field approximation for the effective field in a very natural way so that exact results (consistent with a given accurate equation of state for the uniform fluid) arise in the ``hydrostatic limit'' of very slowly varying interfaces. Very good agreement with the results of computer simulations for a wide range of solute radii are found.

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