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Effect of Magnesium Cation on the Interfacial Properties of Aqueous Salt Solutions
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SYSNO ASEP 0347200 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Effect of Magnesium Cation on the Interfacial Properties of Aqueous Salt Solutions Author(s) Callahan, K. M. (US)
Casillas-Ituarte, N. N. (US)
Xu, M. (US)
Roeselová, Martina (UOCHB-X) RID
Allen, H. C. (US)
Tobias, D. J. (US)Number of authors 6 Source Title Journal of Physical Chemistry A. - : American Chemical Society - ISSN 1089-5639
Roč. 114, č. 32 (2010), s. 8359-8368Number of pages 10 s. Language eng - English Country US - United States Keywords magnesium cation ; chloride ion ; interface ; molecular dynamics ; sum frequency Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects LC512 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) ME09064 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) 1P05ME798 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) CEZ AV0Z40550506 - UOCHB-X (2005-2011) UT WOS 000280727200020 DOI 10.1021/jp103485t Annotation 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. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Viktorie Chládková, Tel.: 232 002 434 Year of Publishing 2011
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