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.

Phase diagram and structural properties of a simple model for one-patch particles

Pastore G;Sciortino F;
2009

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.
2009
Istituto dei Sistemi Complessi - ISC
Istituto Officina dei Materiali - IOM -
Colloids
patchy models
phase diagrams
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/170014
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