Fundamental measure theory for lattice fluids with hard core interactions

Abstract

We present the extension of Rosenfeld's fundamental measure theory to lattice models by constructing a density functional for d-dimensional mixtures of parallel hard hypercubes on a simple hypercubic lattice. The one-dimensional case is exactly solvable and two cases must be distinguished: all the species with the same lebgth parity (additive mixture), and arbitrary length parity (nonadditive mixture). At the best of our knowledge, this is the first time that the latter case is considered. Based on the one-dimensional exact functional form, we propose the extension to higher dimensions by generalizing the zero-dimensional cavities method to lattice models. This assures the functional to have correct dimensional crossovers to any lower dimension, including the exact zero-dimensional limit. Some applications of the functional to particular systems are also shown.

22 pages, 7 figures, needs IOPP LaTeX styles files

References in corpus (1)

• Close to the edge of Fundamental Measure Theory: density functional for hard sphere mixtures

Cited by in corpus (25)

• Classical dynamical density functional theory: from fundamentals to applications
• A density functional theory for general hard-core lattice gases
• Phase behavior of hard-core lattice gases: A Fundamental Measure approach
• Rosenfeld functional for non-additive hard spheres
• Phase diagram of a two-dimensional lattice gas model of a ramp system
• Monolayers of hard rods on planar substrates: I. Equilibrium
• Density functional theory for nearest-neighbor exclusion lattice gasses in two and three dimensions
• Replica Density Functional Study of One-Dimensional Hard Core Fluids in Porous Media
• The isotropic-nematic transition for hard rods on a three--dimensional (3D) cubic lattice
• Monolayers of hard rods on planar substrates: II. Growth
• Cluster density functional theory for lattice models based on the theory of Mobius functions
• Estimating the Critical Parameters of the Hard Square Lattice Gas Model
• Density-functional theory of a lattice-gas model with vapour, liquid, and solid phases
• Exact density functional for hard rod mixtures derived from Markov chain approach
• A density functional for the lattice gas from fundamental measure theory
• Fundamental-measure density functional for the fluid of aligned hard hexagons: New insights in fundamental measure theory
• Lattice density functional for colloid-polymer mixtures: Multi-occupancy versus Highlander version
• Interacting hard rods on a lattice: Distribution of microstates and density functionals
• Droplet condensation in the lattice gas with density functional theory
• Lattice density-functional theory of surface melting: the effect of a square-gradient correction
• Coexisting multiphase and interfacial behaviour of ouzo
• Phase diagrams for sticky rods in bulk and in a monolayer from a lattice free-energy functional for anisotropic particles with depletion attractions
• Fluid-fluid versus fluid-solid demixing in mixtures of parallel hard hypercubes
• Interacting hard-sphere fluids in an external field
• Thermodynamics of interacting hard rods on a lattice