Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2009-10-09
J. Chem. Phys. 131, 174114-1/174114-13 (2009)
Physics
Condensed Matter
Soft Condensed Matter
27 pages, 10 figures, J. Chem. Phys. in press
Scientific paper
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.
Giacometti Achille
Lado Fred
Largo Julio
Pastore Giorgio
Sciortino Francesco
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