P. Gallo, M. Martin Conde, D. Corradini, P. Pugliese, M. Rovere, Angilella, G G N, Amovilli, Claudio, Gallo, P., MARTIN CONDE, Maria, Corradini, D., Pugliese, Pietro, Rovere, M.
المصدر:
Many-body Approaches at Different Scales ISBN: 9783319723730
On the occasion of the 90th birthday of Norman March, we present here a short review of results on the structural properties of ionic aqueous solutions that we obtained in recent years by computer simulation. In particular we compare structural properties of alkali halides NaCl(aq), KCl(aq), KI(aq) to account for the role of cations and anions of different size. The modifications of the hydration shells and the changes in the water structure induced by the presence of the ions are investigated. It is found that the oxygen–oxygen structure can be strongly distorted at high ionic concentration. The hydrogen bonding however is preserved at all concentrations and temperatures. The relation between the perturbation induced by the ions and the different high density and low density liquid local order of water is also discussed.
