Phase diagram and structural properties of a simple model for one-patch particles
Abstract
We study the thermodynamic and structural properties of a simple, one-patch fluid model using the reference hypernetted-chain (RHNC) integral equation and specialized Monte Carlo simulations. In this model, the interacting particles are hard spheres, each of which carries a single identical, arbitrarily-oriented, attractive circular patch on its surface; two spheres attract via a simple square-well potential only if the two patches on the spheres face each other within a specific angular range dictated by the size of the patch. For a ratio of attractive to repulsive surface of 0.8, we construct the RHNC fluid-fluid separation curve and compare with that obtained by Gibbs ensemble and grand canonical Monte Carlo simulations. We find that RHNC provides a quick and highly reliable estimate for the position of the fluid-fluid critical line. In addition, it gives a detailed (though approximate) description of all structural properties and their dependence on patch size.
Cite
@article{arxiv.0910.1681,
title = {Phase diagram and structural properties of a simple model for one-patch particles},
author = {Achille Giacometti and Fred Lado and Julio Largo and Giorgio Pastore and Francesco Sciortino},
journal= {arXiv preprint arXiv:0910.1681},
year = {2015}
}
Comments
27 pages, 10 figures, J. Chem. Phys. in press