Entropy and fluid-fluid separation in nonadditive hard-sphere mixtures

Citation
F. Saija et al., Entropy and fluid-fluid separation in nonadditive hard-sphere mixtures, J PHYS CH B, 102(50), 1998, pp. 10368-10371
Citations number
48
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY B
ISSN journal
15206106 → ACNP
Volume
102
Issue
50
Year of publication
1998
Pages
10368 - 10371
Database
ISI
SICI code
1520-6106(199812)102:50<10368:EAFSIN>2.0.ZU;2-5
Abstract
We study the equilibrium behavior of a two-component mixture of equal-sized , nonadditive hard spheres with an interspecies collision diameter that is larger than that of each component. We calculate the thermodynamic and stru ctural properties by simulating a system of 4000 particles in a canonical e nsemble through a standard Monte Carlo technique. The phase behavior of the model is analyzed through a multiparticle correlation expansion of the sta tistical entropy whose prediction on the existence of a fluid-fluid separat ion threshold compares favorably with independent results on the phase coex istence line.