Density functional theory for hard-sphere mixtures: the White Bear version mark II

被引:183
作者
Hansen-Goos, Hendrik
Roth, Roland
机构
[1] Max Planck Inst Met Res, D-70569 Stuttgart, Germany
[2] Univ Stuttgart, ITAP, D-70569 Stuttgart, Germany
关键词
D O I
10.1088/0953-8984/18/37/002
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
In the spirit of the White Bear version of fundamental measure theory we derive a new density functional for hard-sphere mixtures which is based on a recent mixture extension of the Carnahan-Starling equation of state. In addition to the capability to predict inhomogeneous density distributions very accurately, like the original White Bear version, the new functional improves upon consistency with an exact scaled-particle theory relation in the case of the pure fluid. We examine consistency in detail within the context of morphological thermodynamics. Interestingly, for the pure fluid the degree of consistency of the new version is not only higher than for the original White Bear version but also higher than for Rosenfeld's original fundamental measure theory.
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收藏
页码:8413 / 8425
页数:13
相关论文
共 37 条
[1]  
[Anonymous], 1957, VORLESUNGEN INHALT O
[2]   HARD-SPHERE EQUATION OF STATE [J].
BOUBLIK, T .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (01) :471-&
[3]   Hard-sphere fluids in contact with curved substrates [J].
Bryk, P ;
Roth, R ;
Mecke, KR ;
Dietrich, S .
PHYSICAL REVIEW E, 2003, 68 (03) :8
[4]   Depletion potentials near geometrically structured substrates [J].
Bryk, P ;
Roth, R ;
Schoen, M ;
Dietrich, S .
EUROPHYSICS LETTERS, 2003, 63 (02) :233-239
[5]   EQUATION OF STATE FOR NONATTRACTING RIGID SPHERES [J].
CARNAHAN, NF ;
STARLING, KE .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (02) :635-&
[6]   Close to the edge of fundamental measure theory:: a density functional for hard-sphere mixtures [J].
Cuesta, JA ;
Martínez-Ratón, Y ;
Tarazona, P .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2002, 14 (46) :11965-11980
[8]   NATURE OF THE LIQUID-VAPOR INTERFACE AND OTHER TOPICS IN THE STATISTICAL-MECHANICS OF NONUNIFORM, CLASSICAL FLUIDS [J].
EVANS, R .
ADVANCES IN PHYSICS, 1979, 28 (02) :143-200
[9]  
Evans R., 1992, Fundamentals of Inhomogeneous Fluids
[10]   Homogeneous and inhomogeneous hard-sphere mixtures: manifestations of structural crossover [J].
Grodon, C ;
Dijkstra, M ;
Evans, R ;
Roth, R .
MOLECULAR PHYSICS, 2005, 103 (21-23) :3009-3023