Critical point for de-mixing of binary hard spheres
arXiv:2107.01160 · doi:10.1103/PhysRevE.104.044603
Abstract
We use a two-level simulation method to analyse the critical point associated with demixing of binary hard sphere mixtures. The method exploits an accurate coarse-grained model with two-body and three-body effective interactions. Using this model within the two-level methodology allows computation of properties of the full (fine-grained) mixture. The critical point is located by computing the probability distribution for the number of large particles in the grand canonical ensemble, and matching to the universal form for the Ising universality class. The results have a strong and unexpected dependence on the size ratio between large and small particles, which is related to three-body effective interactions, and the geometry of the underlying hard sphere packings.
arXiv comment11 pages
References in corpus (27)
- A nonequilibrium equality for free energy differences
- Gaussian Approximation Potentials: the accuracy of quantum mechanics, without the electrons
- SchNet - a deep learning architecture for molecules and materials
- Path ensembles averages in systems driven far-from-equilibrium
- Mean field theory of hard sphere glasses and jamming
- Two-step melting in two dimensions: First-order liquid-hexatic transition
- Structural, mechanical and thermodynamic properties of a coarse-grained DNA model
- Extended corresponding-states behavior for particles with variable range attractions
- Critical point and coexistence curve properties of the Lennard-Jones fluid: A finite-size scaling study
- Ab initio thermodynamics of liquid and solid water
- Depletion potential in hard-sphere mixtures: theory and applications
- Understanding shape entropy through local dense packing
- In Search of Colloidal Hard Spheres
- Dense Regular Packings of Irregular Non-Convex Particles
- Competition of percolation and phase separation in a fluid of adhesive hard spheres
- Multilevel Sequential Monte Carlo Samplers
- Probability distribution of the order parameter for the 3D Ising model universality class: a high precision Monte Carlo study
- A Macromolecule in a Solvent: Adaptive Resolution Molecular Dynamics Simulation
- Numerical Solution of Hard-Core Mixtures
- Depletion potentials in highly size-asymmetric binary hard-sphere mixtures: Comparison of accurate simulation results with theory
- Multilevel Monte Carlo simulation of Coulomb collisions
- Structural and Thermodynamic Properties of Hard-Sphere Fluids
- Unusual liquid phases for indented colloids with depletion interactions
- Influence of polydispersity on the critical parameters of an effective potential model for asymmetric hard sphere mixtures
- Correction of coarse-graining errors by a two-level method: application to the Asakura-Oosawa model
- Communication: Virial coefficients and demixing in highly asymmetric binary additive hard-sphere mixtures
- Multilevel Monte Carlo for quantum mechanics on a lattice