Application of some second-order integral equation theories to the Lennard-Jones fluid

Three second-order integral equation theories based on the theory of inhomogeneous fluids are studied for the bulk Lennard-Jones fluid. These second-order theories are constructed from the inhomogeneous Ornstein-Zernike equation with the well known Percus-Yevick and the hypernetted chain closures, a...

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Bibliographic Details
Published in:Molecular physics 1997-03, Vol.90 (4), p.563-570
Main Authors: DUH, By DER-MING, SOKOLOWSKI, DOUGLAS HENDERSON LUIS MIER-Y-TERAN and STEFAN
Format: Article
Language:English
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Summary:Three second-order integral equation theories based on the theory of inhomogeneous fluids are studied for the bulk Lennard-Jones fluid. These second-order theories are constructed from the inhomogeneous Ornstein-Zernike equation with the well known Percus-Yevick and the hypernetted chain closures, and the recently proposed Duh-Haymet-Henderson clossure. The radial distribution functions and the cavity functions are reported and are compared with simulation results.
ISSN:0026-8976
1362-3028
DOI:10.1080/002689797172273