Density functional for ternary non-additive hard sphere mixtures

Details Density functional for ternary non-additive hard sphere mixtures Density functional for ternary non-additive hard sphere mixtures

2011-08-31

arxiv.org/abs/1108.6166v2

J. Phys: Condensed Matter 23, 415101 (2011)

Physics

Condensed Matter

Soft Condensed Matter

6 pages, 4 figures

Scientific paper

10.1088/0953-8984/23/41/415101

Based on fundamental measure theory, a Helmholtz free energy density functional for three-component mixtures of hard spheres with general, non-additive interaction distances is constructed. The functional constitutes a generalization of the previously given theory for binary non-additive mixtures. The diagrammatic structure of the spatial integrals in both functionals is of star-like (or tree-like) topology. The ternary diagrams possess a higher degree of complexity than the binary diagrams. Results for partial pair correlation functions, obtained via the Ornstein-Zernike route from the second functional derivatives of the excess free energy functional, agree well with Monte Carlo simulation data.

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