Effect of Magnesium Cation on the Interfacial Properties of Aqueous Salt Solutions

0347200 - ÚOCHB 2011 RIV US eng J - Článek v odborném periodiku
Callahan, K. M. - Casillas-Ituarte, N. N. - Xu, M. - Roeselová, Martina - Allen, H. C. - Tobias, D. J.
Effect of Magnesium Cation on the Interfacial Properties of Aqueous Salt Solutions.
Journal of Physical Chemistry A. Roč. 114, č. 32 (2010), s. 8359-8368. ISSN 1089-5639. E-ISSN 1520-5215
Grant CEP: GA MŠMT LC512; GA MŠMT ME09064; GA MŠMT 1P05ME798
Grant ostatní: NSF(US) CHE-0749807
Výzkumný záměr: CEZ:AV0Z40550506
Klíčová slova: magnesium cation * chloride ion * interface * molecular dynamics * sum frequency
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 2.732, rok: 2010

Mg2+ is naturally occurring in ocean waters from mineral deposits in the Earth’s crust and biological sources. Unlike Na+ , which has been used for many studies of the interfaces of salt solutions, Mg2+ has a double charge. In this study we use molecular dynamics simulations and sum frequency generation spectroscopy to explore the effect of a divalent cation with a tightly bound solvation shell on the surface propensity of chloride, ion-ion interactions, and water structure of the interface that may be relevant to the heterogeneous reactions of chloride.
Trvalý link: http://hdl.handle.net/11104/0006013