We calculate the mobilities ui of the metal cations Li+, Na+, K+, Rb+, Cs+, and Ca2+ and the
halides F-, Cl-, Br-, and I-at infinite dilution by molecular dynamics simulation using the …

High concentration of brine pockets formed during seawater freeze crystallisation reduces
the freeze desalination efficiency. In this study, the inhibitory effect of salt-adsorption on …

This review contains results of neutron and X-ray scattering experiments on complex liquids,
and includes structural information on molecular liquids, molten salts, aqueous and non …

Ion solvation occurs intrinsically at the microscopic level. The nature of the solvation is
thought to depend on the interplay between ion–molecule and molecule–molecule …

Several Li+-and Na+-acetonitrile models were derived from ab initio calculations at the
counterpoise-corrected MP2/TZV++ (d, p) level for distorted ion-(MeCN) n clusters with n= 1 …

Literature data on structure of coordination sphere of selected monoatomic cations in
aqueous and methanol solutions have been reviewed and compared. The following …

A molecular dynamics (MD) investigation of LiCl in water, methanol, and ethylene glycol
(EG) at 298 K is reported. Several structural and dynamical properties of the ions as well as …

Computer simulations of aqueous and methanolic electrolyte (NaCl, LiCl, NaBr, LiBr)
solutions undergoing osmosis, reverse osmosis, and electro-osmosis have been carried out …

Molecular dynamics simulations have been carried out for Sr 2+ in methanol using different
Sr 2+ Lennard-Jones parameters and methanol models. X-ray absorption fine structure …

Car− Parrinello molecular dynamics simulations have been performed on Li+ and Cl-in fully
deuterated liquid methanol. The results have been compared with available experimental …