Monte Carlo data of dilute solutions of large spheres in binary hard sphere mixtures

Citation
Dp. Cao et al., Monte Carlo data of dilute solutions of large spheres in binary hard sphere mixtures, MOLEC PHYS, 98(9), 2000, pp. 619-624
Citations number
19
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
MOLECULAR PHYSICS
ISSN journal
00268976 → ACNP
Volume
98
Issue
9
Year of publication
2000
Pages
619 - 624
Database
ISI
SICI code
0026-8976(20000510)98:9<619:MCDODS>2.0.ZU;2-Z
Abstract
Monte Carlo (MC) simulation data for additive binary hard sphere mixtures a re reported for dilute concentrations of the large sphere. Using a single o ccupancy linked cell method, binary hard sphere solutions with a size ratio of 5 are simulated at high reduced density and low concentration of the la rge sphere. Data for the solute-solvent pair distribution function show tha t at the lowest concentrations of the large sphere simulated, the Boublik-M ansoori-Carnahan-Starling-Leland (BMCSL) equation underestimates the contac t value; whereas the recently proposed Henderson-Chan (HC) equation gives a good prediction. For the solute-solute contact value at the colloidal limi t, the MC data lie between the two predictions. The BMCSL equation underest imates, while the HC equation overestimates, the correct solute-solute cont act value.