English

Density functional for ternary non-additive hard sphere mixtures

Soft Condensed Matter 2011-09-28 v2 Statistical Mechanics

Abstract

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.

Keywords

Cite

@article{arxiv.1108.6166,
  title  = {Density functional for ternary non-additive hard sphere mixtures},
  author = {Matthias Schmidt},
  journal= {arXiv preprint arXiv:1108.6166},
  year   = {2011}
}

Comments

6 pages, 4 figures

R2 v1 2026-06-21T18:57:40.170Z