Partial molar volume of NaCl and CsCl in mixtures of water and methanol by experiment and molecular simulation

Densities of solutions of NaCl and CsCl in mixtures of water and methanol are determined by experiment and molecular dynamics simulation. Both experiments and simulations cover the concentration range up to the solubility limit of the salt in the temperature range 288.15 <= T /K <= 318.15 at ambient pressure. Non-polarizable molecular models from the literature are used for the ions and solvents. The partial molar volume of the salts at infinite dilution in the mixed solvent is determined from an empirical correlation of the data. The mixed solvent effects on the density and the partial molar volumes of the salts are well predicted by the molecular models. (C) 2017 Elsevier B.V. All rights reserved.