An increasingly popular approach when solving the phase and chemical equilibrium problem is to pose it as an optimization problem. However, diiculties are encountered due to the highly nonlinear nature of the models used to represent the behavior of the uids, and because of the existence of multiple local solutions. This work shows how it is possible to guarantee-global solutions for a certain ...

The interaction energy parameters of the Nonrandom two-liquid (NRTL) equation for Bi–Se, Pb–Se, Sb–Se, and Tl–Se binary systems were determined. difference in goodness fit between was discussed each system. activities components at corresponding temperatures four calculated using NRTL equation. mixing enthalpies Gibbs free energies these obtained. calculations are agreement with experimental da...

A concentration-dependent surface area parameter model (Iwai, Fluid Phase Equilibria, 465 (2018) 24–32) was modified to avoid the restriction conditions for parameters of pure components. The is applied correlate ternary liquid-liquid equilibria and constituent binary phase with one set parameters. correlated results both vapor-liquid obtained by are better than those NRTL UNIQUAC models. simul...

Ionic liquids (ILs) have been suggested as potential "green" solvents to replace volatile organic solvents in reaction and separation processes due to their negligible vapor pressure. To develop ILs for these applications, it is important to gain a fundamental understanding of the factors that control the phase behavior of ionic liquids with other liquids. In this work, we continue our study of...

Modeling of thermodynamic properties mixed-solvent electrolyte solutions is challenging. Reliable experimental data are essential for any model development and parametrization. In this work, a benchmark database (water + methanol/ethanol alkali halide) presented. The available mean ionic activity coefficient (MIAC) vapor–liquid equilibrium (VLE) comprehensively collected critically evaluated 61...

experimental determination of solubility and ternary phase diagram of chiral compound are of tedious and time consuming tasks, and in many cases, there is not enough experimental data for different enantiomeric compositions to access the experimental ternary phase diagram. using thermodynamic models with predictive capability, having less dependency on experimental data, affords a great advanta...

−− The aim of this work is to simulate and analyze an extractive distillation process (extractive distillation and recovery columns) for the separation of Tetrahydrofuran (THF)-Water azeotropic mixture using Aspen Plus® and Aspen Split simulators. Calculation of vapor liquid equilibrium of Tetrahydrofuran–Water–Entrainer system was done using the NRTL model, which binary interaction parameters ...

The liquid-liquid equilibrium (LLE) phase boundaries were determined experimentally for the ternary systems containing refined sunflower oil, methanol, and one of ten potential cosolvents at 308.2 K under atmospheric pressure by using cloud point method. n-Butylamine was found to be one of the best cosolvents, which could substantially enhance the miscibility between the oil and methanol. The L...

• Aqueous solution of diethylene glycol diethyl ether (DEGDEE) near lower critical temperature (LCST) was studied. Scattering data shows segregation DEGDEE and water in a nanometer length scale without short-range ordering. Fluctuation compared with thermodynamic calculation using the nonrandom two-liquid (NRTL) equation. Disadvantages NRTL model LCST can be attributed to its mean-field charact...