Theoretical and numerical study of the phase diagram of patchy colloids: ordered and disordered patch arrangements

The Journal of Chemical Physics
Emanuela BianchiFrancesco Sciortino

Abstract

We report theoretical and numerical evaluations of the phase diagram for a model of patchy particles. Specifically, we study hard spheres whose surface is decorated by a small number f of identical sites ("sticky spots") interacting via a short-ranged square-well attraction. We theoretically evaluate, solving the Wertheim theory, the location of the critical point and the gas-liquid coexistence line for several values of f and compare them to the results of Gibbs and grand canonical Monte Carlo simulations. We study both ordered and disordered arrangements of the sites on the hard-sphere surface and confirm that patchiness has a strong effect on the phase diagram: the gas-liquid coexistence region in the temperature-density plane is significantly reduced as f decreases. We also theoretically evaluate the locus of specific heat maxima and the percolation line.

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Citations

Aug 18, 2010·Physical Chemistry Chemical Physics : PCCP·Francesco SciortinoGiorgio Pastore
Feb 19, 2011·Physical Chemistry Chemical Physics : PCCP·Emanuela BianchiChristos N Likos
Jul 31, 2013·Physical Chemistry Chemical Physics : PCCP·Divya Nayar, Charusita Chakravarty
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Sep 11, 2013·Proceedings of the National Academy of Sciences of the United States of America·Silvia BiffiTommaso Bellini
Mar 22, 2014·Physical Chemistry Chemical Physics : PCCP·Hossein Rezvantalab, Shahab Shojaei-Zadeh
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