An Analytical Theory for the Ion-Specific Surface Tension of Nonaqueous Electrolyte Solutions

Analytical prediction of the ion-specific surface tension of nonaqueous electrolyte solutions remains an open challenge. In a previous work [J. Chem. Theory Comput. 2024, 20, 10158–10166], we have developed an analytical theory for the surface tension of aqueous electrolyte solutions by mapping an aqueous electrolyte solution to a restricted primitive model (RPM). In this work, we extend this prescription to nonaqueous solutions by also mapping a nonaqueous solution to a RPM. Our theory is applied to several 1:1 nonaqueous electrolyte solutions and compared with experimental data. Without introducing any adjustable parameters, our theory leads to a good prediction of surface tension increments of several nonaqueous solutions with a salt concentration up to 1 mol/L.