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Density-functional theory is used to investigate the phase behavior of colloidal binary hard-platelet and hard-rod fluids near a single hard wall or confined in a slit pore. The Zwanzig model, in which the orientations of the particles of…

Statistical Mechanics · Physics 2009-11-07 L. Harnau , S. Dietrich

Within an Onsager-like density functional theory we explore the thermodynamic and structural properties of an isotropic and nematic fluid of hard needle-like colloids in contact with a hard substrate coated with a soft short-ranged…

Soft Condensed Matter · Physics 2009-11-11 K. Shundyak , R. van Roij

We examine the ordering properties of rectangular hard rods with length L and diameter D at a single planar wall and between two parallel hard walls using the second-virial density functional theory. The theory is implemented in the…

Soft Condensed Matter · Physics 2016-02-17 R. Aliabadi , M. Moradi , S. Varga

In this article we calculate the surface phase diagram of a two-dimensional hard-rod fluid confined between two hard lines. In a first stage we study the semi-infinite system consisting of an isotropic fluid in contact with a single hard…

Statistical Mechanics · Physics 2009-11-13 Yuri Martinez-Raton

Surface properties of mixtures of charged platelike colloids and salt in contact with a charged planar wall are studied within density functional theory. The particles are modeled by hard cuboids with their edges constrained to be parallel…

Soft Condensed Matter · Physics 2011-09-14 Markus Bier , Ludger Harnau , S. Dietrich

Fluids consisting of hard platelike particles near a hard wall are investigated using density functional theory. The density and orientational profiles as well as the surface tension and the excess coverage are determined and compared with…

Statistical Mechanics · Physics 2009-11-07 L. Harnau , S. Dietrich

Interfaces between demixed fluid phases of binary mixtures of hard platelets are investigated using density-functional theory. The corresponding excess free energy functional is calculated within a fundamental measure theory adapted to the…

Soft Condensed Matter · Physics 2011-09-14 M. Bier , L. Harnau , S. Dietrich

We propose a density functional for anisotropic fluids of hard body particles. It interpolates between the well-established geometrically based Rosenfeld functional for hard spheres and the Onsager functional for elongated rods. We test the…

Materials Science · Physics 2009-11-07 Giorgio Cinacchi , Friederike Schmid

We study fluids of hard rods in the vicinity of hard spherical and cylindrical surfaces at densities below the isotropic-nematic transition. The Onsager second virial approximation is applied, which is known to yield exact results for the…

Soft Condensed Matter · Physics 2009-10-31 B. Groh , S. Dietrich

The relaxation dynamics of a model fluid of platelike colloidal particles is investigated by means of a phenomenological dynamic density functional theory. The model fluid approximates the particles within the Zwanzig model of restricted…

Soft Condensed Matter · Physics 2011-09-14 Markus Bier , Rene van Roij

We investigate the orientational properties of a homogeneous and inhomogeneous tetrahedral 4-patch fluid (Kern--Frenkel model). Using integral equations, either (i) HNC or (ii) a modified HNC scheme with simulation input, the full…

Soft Condensed Matter · Physics 2025-01-07 Alessandro Simon , Luc Belloni , Daniel Borgis , Martin Oettel

Bulk properties and free interfaces of mixtures of charged platelike colloids and salt are studied within density-functional theory. The particles are modeled by hard cuboids with their edges constrained to be parallel to the artesian axes…

Other Condensed Matter · Physics 2011-09-14 Markus Bier , Ludger Harnau , S. Dietrich

The surface phase behavior of binary mixtures of colloidal hard rods in contact with a solid substrate (hard wall) is studied, with special emphasis on the region of the phase diagram that includes the smectic A phase. The colloidal rods…

Soft Condensed Matter · Physics 2010-12-17 Daniel de las Heras , Yuri Martínez-Ratón , Enrique Velasco

The structure of a molecular liquid, in both the nematic liquid crystalline and isotropic phases, around a cylindrical macroparticle, is studied using density functional theory. In the nematic phase the structure of the fluid is highly…

Soft Condensed Matter · Physics 2009-11-11 David L. Cheung , Michael P. Allen

Using a simple mean-field density functional theory theory (DFT), we investigate the structure and phase behaviour of a model colloidal fluid composed of particles interacting via a pair potential which has a hard core of diameter $\sigma$,…

Soft Condensed Matter · Physics 2007-05-23 A. J. Archer , D. Pini , R. Evans , L. Reatto

We explore models of hard-rod fluids with a finite number of allowed orientations, and construct their bulk phase diagrams within Onsager's second virial theory. For a one-component fluid, we show that the discretization of the orientations…

Soft Condensed Matter · Physics 2007-05-23 Kostya Shundyak , René van Roij

By using the Rosenfeld density functional we determine the number density profiles of both components of binary hard-sphere fluids close to a planar hard wall as well as the corresponding excess coverage and surface tension. The comparison…

Soft Condensed Matter · Physics 2009-10-31 R. Roth , S. Dietrich

Density functional theory is used to study binary colloidal fluids consisting of hard spheres and thin platelets in their bulk and near a planar hard wall. This system exhibits liquid-liquid coexistence of a phase that is rich in spheres…

Soft Condensed Matter · Physics 2009-11-10 L. Harnau , S. Dietrich

A field theoretic representation of the classical partition function is derived for a system composed of a mixture of anisotropic and isotropic mobile charges that interact {\sl via} long range Coulomb and short range nematic interactions.…

Soft Condensed Matter · Physics 2021-01-29 Rudolf Podgornik

We present a density functional study of Lennard-Jones liquids in contact with a nano-corrugated wall. The corresponding substrate potential is taken to exhibit a repulsive hard core and a van der Waals attraction. The corrugation is…

Statistical Mechanics · Physics 2014-11-24 Swarn Lata Singh , Lothar Schimmele , S. Dietrich
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