Probing membrane and interface properties in concentrated electrolyte solutions

Multicomponent Concentrated Aqueous Electrolyte Solutions

Ionic self-diffusion in concentrated aqueous electrolyte solutions.

A self-consistent microscopic theory is developed to understand the anomalously weak concentration dependence of ionic self-diffusion coefficient D(ion) in electrolyte solutions. The self-consistent equations are solved by using the mean spherical approximation expressions of the static pair correlation functions for unequal sizes. The results are in excellent agreement both with the known expe...

Modeling of Nanofiltration for ‎Concentrated Electrolyte Solutions using ‎Linearized Transport Pore Model

   In this study, linearized transport pore model (LTPM) is applied for modeling nanofiltration (NF) membrane separation process. This modeling approach is based on the modified extended Nernst-Planck equation enhanced by Debye-Huckel theory to take into account the variations of activity coefficient especially at high salt concentrations. Rejection of single-salt (NaCl) electrolyte is inve...

Molecular Dynamics simulations of concentrated aqueous electrolyte solutions

Transport properties of concentrated electrolytes have been analyzed using classical molecular dynamics simulations with the algorithms and parameters typical of simulations describing complex electrokinetic phenomena. The electrical conductivity and transport numbers of electrolytes containing monovalent (KCl), divalent (MgCl2), a mixture of both (KCl + MgCl2), and trivalent (LaCl3) cations ha...

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...