Density functional theory for colloidal mixtures of hard platelets, rods, and spheres

被引:72
作者
Esztermann, A
Reich, H
Schmidt, M
机构
[1] Univ Dusseldorf, Inst Theoret Phys 2, D-40225 Dusseldorf, Germany
[2] Univ Bristol, HH Wills Phys Lab, Bristol BS8 1TL, Avon, England
来源
PHYSICAL REVIEW E | 2006年 / 73卷 / 01期
关键词
D O I
10.1103/PhysRevE.73.011409
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
A geometry-based density-functional theory is presented for mixtures of hard spheres, hard needles, and hard platelets; both the needles and platelets are taken to be of vanishing thickness. Geometrical weight functions that are characteristic for each species are given, and it is shown how convolutions of pairs of weight functions recover each Mayer bond of the ternary mixture and hence ensure the correct second virial expansion of the excess free-energy functional. The case of sphere-platelet overlap relies on the same approximation as does Rosenfeld's functional for strictly two-dimensional hard disks. We explicitly control contributions to the excess free energy that are of third order in density. Analytic expressions relevant for the application of the theory to states with planar translational and cylindrical rotational symmetry-e.g., to describe behavior at planar smooth walls-are given. For binary sphere-platelet mixtures, in the appropriate limit of small platelet densities, the theory differs from that used in a recent treatment [L. Harnau and S. Dietrich, Phys. Rev. E 71, 011504 (2004)]. As a test case of our approach we consider the isotropic-nematic bulk transition of pure hard platelets, which we find to be weakly first order, with values for the coexistence densities and the nematic order parameter that compare well with simulation results.
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页数:16
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共 55 条
[1]   WHAT IS LIQUID - UNDERSTANDING STATES OF MATTER [J].
BARKER, JA ;
HENDERSON, D .
REVIEWS OF MODERN PHYSICS, 1976, 48 (04) :587-671
[2]   Bulk and interfacial properties of binary hard-platelet fluids [J].
Bier, M ;
Harnau, L ;
Dietrich, S .
PHYSICAL REVIEW E, 2004, 69 (02) :021506-1
[3]   NUMERICAL STUDY OF THE PHASE-DIAGRAM OF A MIXTURE OF SPHERICAL AND RODLIKE COLLOIDS [J].
BOLHUIS, P ;
FRENKEL, D .
JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (11) :9869-9875
[4]   Simulation and theory of fluid-fluid interfaces in binary mixtures of hard spheres and hard rods [J].
Bolhuis, PG ;
Brader, JM ;
Schmidt, M .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2003, 15 (48) :S3421-S3428
[5]   Colloidal rod-sphere mixtures: Fluid-fluid interfaces and the Onsager limit [J].
Brader, JM ;
Esztermann, A ;
Schmidt, M .
PHYSICAL REVIEW E, 2002, 66 (03)
[6]   Bulk and inhomogeneous mixtures of hard rods and excluded-volume polymer: A density functional approach [J].
Bryk, P ;
Roth, R .
PHYSICAL REVIEW E, 2005, 71 (01)
[7]   Density functional theory and demixing of binary hard-rod-polymer mixtures [J].
Bryk, P .
PHYSICAL REVIEW E, 2003, 68 (06)
[8]   Direct correlation functions in two-dimensional anisotropic fluids [J].
Chamoux, A ;
Perera, A .
PHYSICAL REVIEW E, 1998, 58 (02) :1933-1947
[9]   Approximations for the direct correlation function in multicomponent molecular fluids [J].
Chamoux, A ;
Perera, A .
JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (04) :1493-1505
[10]   Density functional for anisotropic fluids [J].
Cinacchi, G ;
Schmid, F .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2002, 14 (46) :12223-12234