A microscopic view of ion solvation in aqueous and non-aqueous electrolyte solutions from molecular dynamics simulations
Molecular dynamics simulations were performed to understand the ionic association and its effect on the structure and dynamics of ion solvation shell in aqueous and non-aqueous electrolyte solutions (water and methanol). The simulation results show that the probability of ion pairing depends on the interplay between ion-solvent interactions on the one hand, and Coulomb forces between ion and its counter-ion on the other hand.