Interpretation of free energies of transfer and solute partial molar volumes in mixed solvents using Kirkwood–Buff theory

Abstract

Using the Kirkwood–Buff theory for partial molar volumes in ternary mixtures and the Hall formulation of the same theory for free energies of transfer, we have demonstrated how one may obtain separately the two solute–solvent Kirkwood–Buff radial distribution function integrals for an infinitely dilute solute in a binary solvent mixture. As an example, the parameters are calculated for NaCl in MeOH–H₂O.