Journal Article

FZJ-2015-03509

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Salt effects on water/hydrophobic liquid interfaces: a molecular dynamics study

Zhang, C.GRS* ; Carloni, P. (Corresponding Author)FZJ*

2012
IOP Publ. Bristol

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Please use a persistent id in citations: doi:10.1088/0953-8984/24/12/124109

Abstract: We investigate structural and dynamical properties of NaCl and KCl solution/n-decane interfaces. We find that K+ and Cl− ions localize close to the interface and modify the orientations of both first-layer and second-layer water molecules in the interfacial region. Na+ and Cl− ions are also localized; however, they do not affect the orientation significantly. NaCl salts cause an increase of the surface tension and the residence time of interfacial water molecules. They also decrease the residence time of interfacial n-decane molecules. KCl salt has similar effects, although to a smaller extent. These findings may help us to better understand biological interfaces in physiological solutions.

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Contributing Institute(s):

1. GRS (GRS)
2. Computational Biomedicine (IAS-5)

Research Program(s):

1. 899 - ohne Topic (POF2-899) (POF2-899)

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Database coverage:
; Current Contents - Physical, Chemical and Earth Sciences ; IF < 5 ; JCR ; NCBI Molecular Biology Database ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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