Liquid-liquid equilibria in solutions with potential ecological importance

Polymer Gel-Liquid Equilibria Using Uniface-FV

Based on Gibbs-Duhem law and using UNIFAC-FV computer algorithm, the activity of polymer component in polymer-solvent systems is determined. The variation of activity of components with concentration at different temperatures are used to find the equilibrium concentration, UCST, and LCST for the systems. Also by generalization of the method, Gel-Liquid equilibrium is studied in some three c...

Modeling phase equilibria and speciation in mixed-solvent electrolyte systems: II. Liquid–liquid equilibria and properties of associating electrolyte solutions

A comprehensive mixed-solvent electrolyte model has been extended to calculate liquid– liquid equilibria in water–organic salt systems. Also, it has been applied to calculate phase equilibria and speciation in strongly associating systems such as sulfuric acid/oleum (H2SO4+SO3+H2O) in the entire concentration range. The model combines an excess Gibbs energy model with detailed speciation calcul...

Fast Method for Computing Chemical Potentials and Liquid-Liquid Phase Equilibria of Macromolecular Solutions.

Chemical potential is a fundamental property for determining thermodynamic equilibria involving exchange of molecules, such as between two phases of molecular systems. Previously, we developed the fast Fourier transform (FFT)-based method for Modeling Atomistic Protein-crowder interactions (FMAP) to calculate excess chemical potentials according to the Widom insertion. Intermolecular interactio...

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

Modeling of liquid–liquid equilibria of aqueous alcohol + salt systems using amodified NRTL

The modified NRTL (m-NRTL) model is used to represent the excess Gibbs free energy of aqueous (alcohol + electrolyte) solutions. In this work, the m-NRTL model previously developed for representation of vapor-liquid equilibria for (polymer + salt + water) systems has been extended to represent liquid-liquid equilibria of (alcohol + salt + water) systems. The proposed extension is a modified of ...