Fluid phase stability and equilibrium calculations in binary mixtures

Phase separation in binary fluid mixtures with continuously ramped temperature.

We consider the demixing of a binary fluid mixture, under gravity, which is steadily driven into a two-phase region by slowly ramping the temperature. We assume, as a first approximation, that the system remains spatially isothermal, and we examine the interplay of two competing nonlinearities. One of these arises because the supersaturation is greatest far from the meniscus, creating inversion...

Traveling-Wave Phase Boundaries in Compressible Binary Fluid Mixtures

On the theory of phase transitions in binary fluid mixtures

The microscopic approach to the description of the phase behaviour and critical phenomena in binary fluid mixtures is proposed. It is based on the method of collective variables with a reference system. The physical nature of the order parameter in a binary mixture is discussed. The basic density measure (GinsburgLandau-Wilson Hamiltonian) is obtained in the collective variable phase space whic...

Particle Swarm Optimization for Phase Stability and Equilibrium Calculations in Reactive Systems

Particle Swarm Optimization for Phase Stability and Equilibrium Calculations in Reactive Systems Adrián Bonilla-Petriciolet a and Juan Gabriel Segovia-Hernández b a Departamento de Ingeniería Química, Instituto Tecnológico de Aguascalientes, Av. López Mateós 1801, Aguascalientes, 20256, México. [email protected] b Departamento de Ingeniería Química, División de Ciencias Naturales y Exacta...

Stability of supercooled binary liquid mixtures.

Recently, the supercooled Wahnstrom binary Lennard-Jones mixture was partially crystallized into MgZn(2) phase crystals in lengthy molecular dynamics simulations. We present molecular dynamics simulations of a modified Kob-Andersen binary Lennard-Jones mixture that also crystallizes in lengthy simulations here, however, by forming pure fcc crystals of the majority component. The two findings mo...