Predicting Solvation Free Energies and Thermodynamics in Polar Solvents and Mixtures Using a Solvation-Layer Interface Condition

Amirhossein Molavi Tabrizi, Spencer Goossens, Ali Mehdizadeh Rahimi +2

We demonstrate that with two small modifications, the popular dielectric continuum model is capable of predicting, with high accuracy, ion solvation thermodynamics in numerous pola…