Self Consistent Molecular Field Theory for Packing in Classical Liquids

Details Self Consistent Molecular Field Theory for Packing in Classical Liquids Self Consistent Molecular Field Theory for Packing in Classical Liquids

2003-05-14

arxiv.org/abs/physics/0305054v1

Physics

Chemical Physics

6 pages and 5 figures

Scientific paper

10.1103/PhysRevE.68.021505

Building on a quasi-chemical formulation of solution theory, this paper proposes a self consistent molecular field theory for packing problems in classical liquids, and tests the theoretical predictions for the excess chemical potential of the hard sphere fluid. Results are given for the self consistent molecular fields obtained, and for the probabilities of occupancy of a molecular observation volume. For this system, the excess chemical potential predicted is as accurate as the most accurate prior theories, particularly the scaled particle (Percus-Yevick compressibility) theory. It is argued that the present approach is particularly simple, and should provide a basis for a molecular-scale description of more complex solutions.

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