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.
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