Computing the phase diagram of binary mixtures: a patchy particle case study
arXiv:1304.0987 · doi:10.1063/1.4802026
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.
13 pages, 13 figures
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- Unsupervised machine learning for detection of phase transitions in off-lattice systems II. Applications
- On the Formation of Equilibrium Gels via a Macroscopic Bond Limitation
- Phase Diagram of a Reentrant Gel of Patchy Particles
- Reentrant Network Formation in Patchy Colloidal Mixtures under Gravity
- Structure and elasticity of model disordered, polydisperse and defect-free polymer networks
- Mixtures of functionalized colloids on substrates
- Extended Wertheim theory predicts the anomalous chain length distributions of divalent patchy particles under extreme confinement
- Dynamics of Network Fluids