Phase behavior of nonadditive hard-sphere mixtures

Authors
Citation
M. Dijkstra, Phase behavior of nonadditive hard-sphere mixtures, PHYS REV E, 58(6), 1998, pp. 7523-7528
Citations number
15
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW E
ISSN journal
1063651X → ACNP
Volume
58
Issue
6
Year of publication
1998
Part
B
Pages
7523 - 7528
Database
ISI
SICI code
1063-651X(199812)58:6<7523:PBONHM>2.0.ZU;2-V
Abstract
We show the existence of a fluid-fluid demixing transition in binary mixtur es of nonadditive asymmetric hard-sphere mixtures by performing Gibbs ensem ble Monte Carlo simulations for a size ratio of 0.1 and varying degrees of nonadditivity. We compare our results with the theoretical binodals obtaine d from the equation of state proposed by Barboy and Gelbart [J. Chem. Phys. 71, 3053 (1979)] and we find reasonable agreement for sufficiently large v alues of the nonadditivity parameter. Upon decreasing the nonadditivity par ameter, we find that the fluid-fluid demixing region shifts to higher press ures and becomes narrower. For sufficiently small nonadditivities, we do no t find a fluid-fluid demixing transition for total packing fractions <0.5. [S1063-651X(98)02412-X].