A comparison of classical interatomic potentials applied to highly concentrated aqueous lithium chloride solutions

None of the investigated models yield satisfactory results for all the tested quantities. Only two parameter sets provide acceptable predictions for the structure of highly concentrated aqueous LiCl solutions. Some approaches for adjusting potential parameters, such as those of Aragones [Aragones et al., J. Phys. Chem. B 118 (2014) 7680] and Pluharova [Pluharova et al., J. Phys. Chem. A 117 (2013) 11766], were tested as well; the simulations presented here underline their usefulness. These refining methods are suited to obtain more appropriate ion/water potentials.