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Details van artikel 7 van 12 gevonden artikelen
| Titel: |
Simulation and approximate formulae for the radial distribution functions of highly asymmetric hard sphere mixtures |
| Auteur: |
Henderson, Douglas Trokhymchuk, Andrij Woodcock, Leslie V. Chan, Kwong-Yu |
| Verschenen in: |
Molecular physics |
| Paginering: | Jaargang 103 (2005) nr. 5 pagina's 667-674 |
| Jaar: |
2005-03-10 |
| Inhoud: |
The Henderson and Chan (HC) formulae for the contact values of the radial distribution functions (RDFs) of a highly asymmetric hard sphere mixture are reconsidered in light of a recent formula of Roth, Evans and Dietrich for the RDF of a pair of exceedingly large spheres at zero concentration in a solvent of small hard spheres. Two modifications of the HC formulae using this result give a large sphere-large sphere contact value that is considerably smaller than that of the original formulation. These new HC results are compared with the molecular dynamics simulations of Lue and Woodcock, for a diameter ratio of 1:10, supplemented by a few new results that are reported here. The new HC formulae are in much better agreement with the MD results than is the popular Boublik-Mansoori-Carnahan-Starling-Leland formula. Also, some simulation results for the RDFs as functions of separation are reported. |
| Uitgever: |
Taylor & Francis |
| Bronbestand: |
Elektronische Wetenschappelijke Tijdschriften |
Details van artikel 7 van 12 gevonden artikelen
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