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.
|Titolo:||Phase diagram and structural properties of a simple model for one-patch particles|
|Autori interni:||GIACOMETTI, Achille|
|Data di pubblicazione:||2009|
|Rivista:||THE JOURNAL OF CHEMICAL PHYSICS|
|Appare nelle tipologie:||2.1 Articolo su rivista |
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