A further test of the Boublik et al equations for binary hard sphere mixtures

被引:46
作者
Yau, DHL
Chan, KY
Henderson, D
机构
关键词
D O I
10.1080/00268979650025803
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The Boublik-Mansoori-Carnahan-Starling-Leland (BMCSL) equation of state is examined for binary hard sphere mixtures. It is argued that this equation of state is reliable for a large diameter ratio. Monte Carlo (MC) simulations are performed for many states, some of high density and large diameter ratio. Al moderate densities away from the solid-liquid transition, the MC results show reasonably good agreement with the BMCSL's prediction of the compressibility factor. This confirms the earlier findings of Jackson et al. for the validity of BMCSL in the liquid phase. The failure of the BMCSL prediction in some states is due to proximity to the solid-liquid transition and not due to the large diameter ratio. The individual pair distribution functions predicted by the BMCSL in all cases, however, can be poor, especially, for a pair of large spheres at very low concentration. Comparison of the MC distribution functions and those predicted by several theories are made.
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页码:1237 / 1248
页数:12
相关论文
共 14 条
[1]  
[Anonymous], J COMP PHYS
[2]   SUPERLATTICE FORMATION IN BINARY-MIXTURES OF HARD-SPHERE COLLOIDS [J].
BARTLETT, P ;
OTTEWILL, RH ;
PUSEY, PN .
PHYSICAL REVIEW LETTERS, 1992, 68 (25) :3801-3804
[3]   PHASE-SEPARATION OF ASYMMETRIC BINARY HARD-SPHERE FLUIDS [J].
BIBEN, T ;
HANSEN, JP .
PHYSICAL REVIEW LETTERS, 1991, 66 (17) :2215-2218
[4]   HARD-SPHERE EQUATION OF STATE [J].
BOUBLIK, T .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (01) :471-&
[5]   EQUATION OF STATE FOR NONATTRACTING RIGID SPHERES [J].
CARNAHAN, NF ;
STARLING, KE .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (02) :635-&
[6]   BINARY HARD-SPHERE MIXTURES - A COMPARISON BETWEEN COMPUTER-SIMULATION AND EXPERIMENT [J].
ELDRIDGE, MD ;
MADDEN, PA ;
PUSEY, PN ;
BARTLETT, P .
MOLECULAR PHYSICS, 1995, 84 (02) :395-420
[7]   A SIMPLE THEORY FOR THE FORCE BETWEEN SPHERES IMMERSED IN A FLUID [J].
HENDERSON, D ;
LOZADACASSOU, M .
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 1986, 114 (01) :180-183
[8]   Integral equation study of additive two-component mixtures of hard spheres [J].
Henderson, D ;
Malijevsky, A ;
Labik, S ;
Chan, KY .
MOLECULAR PHYSICS, 1996, 87 (02) :273-285
[9]   COMPUTER-SIMULATION OF MIXTURES OF HARD-SPHERES [J].
JACKSON, G ;
ROWLINSON, JS ;
VANSWOL, F .
JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (19) :4907-4912
[10]  
JACKSON G, 1986, THESIS OXFORD U UK