相关论文: Three-phase fractionation of polydisperse fluids
A system of three electrolytes separated by two parallel planes is considered. Each region is described by a dielectric constant and a Coulomb fluid in the Debye-H\"uckel regime. In their book Dispersion Forces, Mahanty and Ninham have…
The equilibrium phase behaviour of hard spheres with size polydispersity is studied theoretically. We solve numerically the exact phase equilibrium equations that result from accurate free energy expressions for the fluid and solid phases,…
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,…
We describe how Monte Carlo simulation within the grand canonical ensemble can be applied to the study of phase behaviour in polydisperse fluids. Attention is focused on the case of fixed polydispersity in which the form of the `parent'…
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…
A `polydisperse' system has an infinite number of conserved densities. We give a rational procedure for projecting its infinite-dimensional free energy surface onto a subspace comprising a finite number of linear combinations of densities…
A diffuse-interface model for microstructure with an arbitrary number of components and phases was developed from basic thermodynamic and kinetic principles and formalized within a variational framework. The model includes a composition…
The cohesive energies and structural properties of recently predicted, and never synthesized, B$_2$O$_3$ polymorphs are investigated from first principles using density functional theory and high-accuracy many-body methods, namely, the…
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…
In this paper we have studied Van-Der-Waals fluid system with the generalized EOS as as discussed in the recent works of Kremer, G.M [1, 4], Vardiashvili, G [2], Jantsch, R.C [3], Capozziello, S [5]. and are functions of energy density and…
In this work, the van der Waals fluid model, a diffuse-interface model for liquid-vapor two-phase flows, is numerically investigated. The thermodynamic properties of the van der Waals fluid are first studied. Dimensional analysis is…
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…
In the framework of the thermodynamic perturbation theory for fluids we study how the phase diagram of an isotropic repulsive soft-core attractive potential, where a liquid-liquid phase transition exists in addition to the standard…
We calculate the phase behavior of hard spheres with size polydispersity, using accurate free energy expressions for the fluid and solid phases. Cloud and shadow curves, which determine the onset of phase coexistence, are found exactly by…
The conditions of multi-phase equilibrium are solved for generic polydisperse systems. The case of multiple polydispersity is treated, where several properties (e.g. size, charge, shape) simultaneously vary from one particle to another. By…
A new type of phase separation in the polyelectrolyte solutions consisting of several types of charged macromolecules differing in their degree of ionization is predicted via a general thermodynamic consideration. We show that even a small…
We propose a model that describes phase transition including meta\-stable states present in the van der Waals Equation of State. From a convex optimization problem on the Helmoltz free energy of a mixture, we deduce a dynamical system that…
The width of the distribution of species in a polydisperse system is employed in a small-variable expansion, to obtain a well-controlled and compact scheme by which to calculate phase equilibria in multi-phase systems. General and universal…
The van der Waals (vdW) theory of fluids is the first and simplest theory that takes into account interactions between the particles of a system that result in a phase transition versus temperature. Combined with Maxwell's construction,…
Recently, maximal valence model has been proposed to model liquid-liquid phase transition induced by polymerization in sulfur. In this paper we present a simple generic model to describe liquid polyamorphism in single-component fluids using…