# Computing the phase diagram of binary mixtures: A patchy particle case study

L. Rovigatti, D. de las Heras, J. M. Tavares, M. M. Telo da Gama, and F. Sciortino

J. Chem. Phys., **138**, 164904, (2013) DOI: 10.1063/1.4802026

Full text: journal, pdf

**Abstract**:

We investigate the phase behaviour of 2D mixtures of bi-functional and three-functional patchy particles and 3D mixtures of bi-functional and tetra-functional patchy particles by means of Monte Carlo simulations and Wertheim theory. We start by computing the critical points of the pure systems and then we investigate how the critical parameters change upon lowering the temperature. We extend the successive umbrella sampling method to mixtures to make it possible to extract information about the phase behaviour of the system at a fixed temperature for the whole range of densities and compositions of interest.

**Related publications**:

**1** *Phase diagrams of binary mixtures of patchy colloids with distinct numbers of patches: the network fluid regime* (+ info)

**2** *Phase diagrams of binary mixtures of patchy colloids with distinct numbers and types of patches: The empty fluid regime * (+ info)

**3** *Bicontinuous and mixed gels in binary mixtures of patchy colloidal particles* (+ info)

**4** *Percolation in binary and ternary mixtures of patchy colloids* (+ info)