English

Rosenfeld functional for non-additive hard spheres

Soft Condensed Matter 2009-11-10 v1 Statistical Mechanics

Abstract

The fundamental measure density functional theory for hard spheres is generalized to binary mixtures of arbitrary positive and moderate negative non-additivity between unlike components. In bulk the theory predicts fluid-fluid phase separation into phases with different chemical compositions. The location of the accompanying critical point agrees well with previous results from simulations over a broad range of non-additivities and both for symmetric and highly asymmetric size ratios. Results for partial pair correlation functions show good agreement with simulation data.

Keywords

Cite

@article{arxiv.cond-mat/0407013,
  title  = {Rosenfeld functional for non-additive hard spheres},
  author = {Matthias Schmidt},
  journal= {arXiv preprint arXiv:cond-mat/0407013},
  year   = {2009}
}

Comments

8 pages with 4 figures

R2 v1 2026-07-22T11:05:03.568Z