Density Functional for Anisotropic Fluids
arXiv:cond-mat/0208449 · doi:10.1088/0953-8984/14/46/323
Abstract
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 new approach by calculating the location of the the nematic-isotropic transition in systems of hard spherocylinders and hard ellipsoids. The results are compared with existing simulation data. Our functional predicts the location of the transition much more accurately than the Onsager functional, and almost as good as the theory by Parsons and Lee. We argue that it might be suited to study inhomogeneous systems.
To appear in J. Physics: Condensed Matter
Cited by in corpus (15)
- Hard-body models of bulk liquid crystals
- Density functional theory for colloidal mixtures of hard platelets, rods, and spheres
- Effect of particle geometry on phase transitions in two-dimensional liquid crystals
- Phase diagram of two-dimensional hard rods from fundamental mixed measure density functional theory
- Bulk inhomogeneous phases of anisotropic particles: A fundamental measure functional study of the restricted orientations model
- Phase behavior of parallel hard cylinders
- Local structure in nematic and isotropic liquid crystals
- Bulk phase behaviour of binary hard platelet mixtures from density functional theory
- Towards understanding the ordering behavior of hard needles: New analytical solutions in one dimension
- Surface tension of isotropic-nematic interfaces: Fundamental Measure Theory for hard spherocylinders
- Deriving the Rosenfeld Functional from the Virial Expansion
- Structure of a liquid crystalline fluid around a macroparticle: Density functional theory study
- Nematic-isotropic transition in a density-functional theory for hard spheroidal colloids
- Extraction a Formalism for Fluids with Non-Spherical Molecules based on the Cluster Expansion of the Energy Functional
- Relating thermodynamic quantities of convex-hard-body fluids to the body's shape