Potentials of mean force of sodium chloride ion pair in dimethyl sulfoxide-methanol mixtures

► The potentials of mean force (PMFs) of the Na+ Cl− are computed in DMSO-MeOH mixtures. ► Contact ion pairs (CIPs) are more stable than the solvent separated ion pairs (SSIPs). ► CIPs dominate over the solvent assisted ion pairs (SAIPs). ► As the mole fraction of DMSO increases, the stabilies of CIPs increase. ► In mixtures, the Na+Cl− ion pair is preferentially solvated by MeOH molecules.