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Open Journal of Physical Chemistry
Article . 2012 . Peer-reviewed
License: CC BY
Data sources: Crossref
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Molecular Simulation of Ion Transport at the Water/Vapor Interface

Authors: Jalal Dweik; Mahmoud Srour; Khaled Karaky; Marwan Kobeissi; Wissam Joumaa; Khalil Abou-Saleh;

Molecular Simulation of Ion Transport at the Water/Vapor Interface

Abstract

Molecular dynamics was used to quantify the role of the size, charge and polarisability of F–, Cl–, Br–, I– and Na+ ions in their distribution in the water/vapour interface system. Our results show that the larger polarizable anions I– and Br– is attracted to the surface which is traced back to surface-modified ion hydration, while the F– was repelled from the interface and the Cl– occupied the total volume of the water slab. Moreover, by artificially increasing the ions charge, anions were localized to the center of the water slab. These results demonstrate that the effect of polarizability cannot be neglected in the transport mechanism.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
1
Average
Average
Average
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