2ND-ORDER PERCUS-YEVICK THEORY FOR MIXTURES OF LENNARD-JONES FLUIDS

Authors
HENDERSON D SOKOLOWSKI S
Citation
D. Henderson et S. Sokolowski, 2ND-ORDER PERCUS-YEVICK THEORY FOR MIXTURES OF LENNARD-JONES FLUIDS, Molecular physics, 90(1), 1997, pp. 85-90
Citations number
14
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Molecular physics → ACNP
ISSN journal
00268976
Volume
90
Issue
1
Year of publication
1997
Pages
85 - 90
Database
ISI
SICI code
0026-8976(1997)90:1<85:2PTFMO>2.0.ZU;2-T
Abstract
The second-order integral equation formalism of Attard, applied recent ly, with good results, to one-component hard spheres and Lennard-Jones fluids, is applied to some binary mixtures of Lennard-Jones fluids. C omparison with molecular dynamic simulations of the pair correlation f unctions shows that this method is also quite accurate for mixtures. T his is true not only when the Lorentz-Berthelot mixing rules are obeye d but also when there are substantial deviations from these rules.