Related papers: Projected free energies for polydisperse phase equ…
It is shown that the van der Waals free-energy of polydisperse fluids, as introduced previously (L. Bellier-Castella, H. Xu and M. Baus, {J. Chem. Phys.} {113}, 8337 (2000)), predicts that for certain thermodynamic states (e.g. low…
In experimental systems, colloidal particles are virtually always at least somewhat polydisperse, which can have profound effects on their ability to crystallize. Unfortunately, accurately predicting the effects of polydispersity on phase…
We develop a systematic procedure to approximate generalized free energy in out of equilibrium stochastic systems. The procedure only requires knowledge of the averages of macroscopic observables and uses quasi-equilibrium distribution to…
Polymorphism rationalizes how processing can control the final structure of a material. The rugged free-energy landscape and exceedingly slow kinetics in the solid state have so far hampered computational investigations. We report for the…
Phase behavior of the Yukawa hard-sphere polydisperse mixture with high degree of polydispersity is studied using high temperature approximation (HTA) and mean spherical approximation (MSA). We have extended and applied the scheme developed…
The statistical mechanics of phase transitions in dense systems of polydisperse particles presents distinctive challenges to computer simulation and analytical theory alike. The core difficulty, namely dealing correctly with particle size…
The fluid - crystal equilibria of polydisperse mixtures of hard spheres have been studied by computer simulation of the solid phase and using an accurate equation of state for the fluid. A new scheme has been developed to evaluate the…
Diffuse interface models are widely used to describe evolution of multi-phase systems of different nature. Dispersed "inclusions", described by the phase field distribution, are usually three dimensional objects. When describing elastic…
The recently proposed universal relations between the moments of the polydispersity distributions of a phase-separated weakly polydisperse system are analyzed in detail using the numerical results obtained by solving a simple density…
Specialized Monte Carlo simulation techniques and moment free energy method calculations, capable of treating fractionation exactly, are deployed to study the crystalline phase behaviour of an assembly of spherical particles described by a…
We analyze the phase equilibria of systems of polydisperse hydrocarbons by means of the recently introduced moment method. Hydrocarbons are modelled with the Soave-Redlick-Kwong and Peng-Robinson equations of states. Numerical results show…
Polydispersity is believed to have important effects on the formation of liquid crystal phases in suspensions of rod-like particles. To understand such effects, we analyse the phase behaviour of thin hard rods with length polydispersity.…
The phase behavior of a system composed of spherical particles with a monomodal size distribution is investigated theoretically within the context of the van der Waals approximation for polydisperse fluids. It is shown how the binodals,…
The bending energy of any freely deformable closed surface is quadratic in its curvature. In the absence of constraints, it will be minimized when the surface adopts the form of a round sphere. If the surface is confined within a…
We describe a lattice-gas model suitable for studying the generic effects of polydispersity on liquid-vapor phase equilibria. Using Monte Carlo simulation methods tailored for the accurate determination of phase behaviour under conditions…
We consider a dynamical system consisting of subsystems indexed by a lattice. Each subsystem has one conserved degree of freedom ("energy") the rest being uniformly hyperbolic. The subsystems are weakly coupled together so that the sum of…
The phase behaviour of a weakly polydisperse system, such as a colloid with a small spread of particle sizes, can be related perturbatively to that of its monodisperse counterpart. I show how this approach can be generalized to remain…
We present a new multiphase-field theory for describing pattern formation in multi-domain and/or multi-component systems. The construction of the free energy functional and the dynamic equations is based on criteria that ensure mathematical…
The maximum particle kinetic energy that can be extracted from an initial six-dimensional phase space distribution motivates the concept of free or available energy. The free energy depends on the allowed operations that can be performed. A…
The liquid-gas phase diagram for polydisperse dipolar hard-sphere fluid with polydispersity in the hard-sphere size and dipolar moment is calculated using extension of the recently proposed thermodynamic perturbation theory for central…