Modeling of Aqueous Electrolyte Solutions with Perturbed-Chain Statistical Association Fluid Theory

Effect of salts on the solubility of ionic liquids in water: experimental and electrolyte Perturbed-Chain Statistical Associating Fluid Theory†

Due to scarce available experimental data, as well as due to the absence of predictive models, the influence of salts on the solubility of ionic liquids (ILs) in water is still poorly understood. To this end, this work addresses the solubility of the IL 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C4C1im][NTf2]), at 298.15 K and 0.1 MPa, in aqueous salt solutions (from 0.1 to...

Modeling Viscosity of Aqueous and Mixed-Solvent Electrolyte Solutions

A comprehensive model has been developed for calculating the viscosity of aqueous or mixed-solvent electrolyte systems ranging from dilute solutions to fused salts. The model incorporates a mixing rule for calculating the viscosity of solvent mixtures and a method for predicting the effect of finite electrolyte concentrations. The mixing rule represents the viscosity of multicomponent solvent m...

Multicomponent Concentrated Aqueous Electrolyte Solutions

An Evaluation of Four Electrolyte Models for the Prediction of Thermodynamic Properties of Aqueous Electrolyte Solutions

In this work, the performance of four electrolyte models for prediction the osmotic and activity coefficients of different aqueous salt solutions at 298 K, atmospheric pressure and in a wide range of concentrations are evaluated. In two of these models, (electrolyte Non-Random Two-Liquid e-NRTL and Mean Spherical Approximation-Non-Random Two-Liquid MSA-NRTL), association between ions of opposit...

■ The Structure of Aqueous Electrolyte Solutions

This review compares results of neutron and X-ray diffraction experiments with computer simu­ lation and theoretical calculation for aqueous electrolyte solutions at the atomic level in terms of the partial radial distribution functions of several ionic solutions, and includes results for the ion-water and ion-ion structure of systems containing alkali ions, alkaline earth ions, transition meta...