Ion pairing and counterion condensation in aqueous electrolyte and polyelectrolyte solutions: Insights from molecular simulation

We discuss the molecular-based study of ion-pair formation in LiCl aqueous solutions and its implications on the interpretation of the raw data from neutron diffraction with isotopic substitution experiments, the counterion condensation in aqueous polyelectrolyte solutions comprising short-chain lithium poly-styrene sulfonate (Li+-PSS−), as well as their interplay leading to the occurrence of “like-charge” attractive interactions in the presence of salts of polyvalent counterions.