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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Veröffentlicht in: | Molecular physics 1997-03, Vol.90 (4), p.563-570 |
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Hauptverfasser: | , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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Zusammenfassung: | 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. |
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ISSN: | 0026-8976 1362-3028 |
DOI: | 10.1080/002689797172273 |