| Literature DB >> 19895005 |
Achille Giacometti1, Fred Lado, Julio Largo, Giorgio Pastore, Francesco Sciortino.
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 and 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.Year: 2009 PMID: 19895005 DOI: 10.1063/1.3256002
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488