Wetting in electrolyte solutions

Wetting layers in electrolyte solutions

2014 When a predominantly nonpolar mixture is in contact with a chemically ionizable substrate, thick wetting layers of a predominantly polar phase can form on the substrate. This paper considers the effects of added salt on such layers. In the limit of low salt concentrations, the equilibrium thickness reduces to a result previously derived by the author. In the limit of high salt concentratio...

Molecular Modelling and Simulation of Electrolyte Solutions, Biomolecules, and Wetting of Component Surfaces

Massively-parallel molecular dynamics simulation is applied to systems containing electrolytes, vapour-liquid interfaces, and biomolecules in contact with water-oil interfaces. Novel molecular models of alkali halide salts are presented and employed for the simulation of electrolytes in aqueous solution. The enzymatically catalysed hydroxylation of oleic acid is investigated by molecular dynami...

Prediction of Surface Tension in Single and Mixed 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...

Multicomponent Concentrated Aqueous Electrolyte Solutions