dorsal/arxiv
View SchemaSelf Consistent Molecular Field Theory for Packing in Classical Liquids
| Authors | Lawrence R. Pratt, Henry S. Ashbaugh |
|---|---|
| Categories | |
| ArXiv ID | physics/0305054 |
| URL | https://arxiv.org/abs/physics/0305054 |
| DOI | 10.1103/PhysRevE.68.021505 |
Abstract
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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"abstract": "Building on a quasi-chemical formulation of solution theory, this paper\nproposes a self consistent molecular field theory for packing problems in\nclassical liquids, and tests the theoretical predictions for the excess\nchemical potential of the hard sphere fluid. Results are given for the self\nconsistent molecular fields obtained, and for the probabilities of occupancy of\na molecular observation volume. For this system, the excess chemical potential\npredicted is as accurate as the most accurate prior theories, particularly the\nscaled particle (Percus-Yevick compressibility) theory. It is argued that the\npresent approach is particularly simple, and should provide a basis for a\nmolecular-scale description of more complex solutions.",
"arxiv_id": "physics/0305054",
"authors": [
"Lawrence R. Pratt",
"Henry S. Ashbaugh"
],
"categories": [
"physics.chem-ph",
"physics.bio-ph"
],
"doi": "10.1103/PhysRevE.68.021505",
"title": "Self Consistent Molecular Field Theory for Packing in Classical Liquids",
"url": "https://arxiv.org/abs/physics/0305054"
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