Phase behaviour of inverse patchy colloids: Effect of the model parameters

Abstract

© 2015 IOP Publishing Ltd. The phase behaviour of inverse patchy colloid systems composed of spherical particles with two oppositely charged patches at the poles is investigated by simulation-based thermodynamic integration schemes. The interaction between the particles is derived via a coarse-grained model characterized by three system parameters: the charge imbalance between the bare colloid and the patches, the patch surface extension and the particle interaction range. Starting from a set of parameters for which a stacking of parallel layers is thermodynamically stable, the effect of each of these three parameters on the phase diagram is studied. Our results show that the region of stability of the layered solid phase can be expanded by increasing the charge imbalance and/or by reducing the interaction range. A larger patch size, on the other hand, stabilizes the layered structure with respect to the competing face centered cubic solid at high pressures but destabilizes it with respect to the fluid phase at low pressures. The location of the liquid-vapour critical point in the temperature versus density plane is also investigated: while the charge imbalance and the patch size affect mainly the critical density, a change of the interaction range has a substantial impact also on the critical temperature.