Liquid-Liquid Equilibria in Binary Systems:Monte-Carlo Simulations for Calculating the Effect of Nonrandom Mixing

Prediction of Liquid-Liquid Equilibria of Binary Systems Containing Alcohols Using EoS-GE Models

Effect of Magnetic Field on the Liquid-liquid Equilibria of (Water + Acetic Acid + Organic Solvent) Ternary Systems

The effect of magnetic field on the liquid-liquid equilibrium of two ternary systems (water + acetic acid + butyl acetate and water + acetic acid + dimethyl succinate) at 298.15 K under atmospheric pressure was investigated. The results obtained show that the strength of the magnetic field (0.02 T) affects the solubility of acetic acid in the used organic solvents. Distribution coefficients and...

New Local Composition-Equation of State Mixing Rules for High Pressure Vapor-Liquid Equilibria Using EOS/AE

In this study using Equation of State/ Helmholtz excess energy function,  EOS/AE, two new local composition-Equation-of State mixing rules, LCEOS1 and LCEOS2 were developed in which the energy interaction parameters were expressed in terms of attractive and repulsive parameters of the cubic equation of state. The EOS/AE models are applied for equilibrium calculation of nat...

Direct calculation of solid-liquid equilibria from density-of-states Monte Carlo simulations.

A density-of-states Monte Carlo method is proposed for simulations of solid-liquid phase equilibria. A modified Wang-Landau density-of-states sampling approach is used to perform a random walk in regions of potential energy and volume relevant to solid-liquid equilibrium. The method provides a direct estimate of the relative density of states [Omega(U,V)] and thus the relative free energy withi...

Enthalpies of Mixing for Binary Liquid Mixtures of Acids

For the binary liquid systems formic acid + acetic acid, formic acid + propionic acid, and acetic acid + propionic acid, we give the results of new calorimetric measurements of the molar excess enthalpy H at 25 °C, 30 °C, 40 °C, and 60°C, covering the entire range of compositions. H is always positive, increases linearly with the temperature, and is slightly asymmetric with respect to the mole ...