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H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. DiNola and J. R. Haak, “Molecular Dynamics with Coupling to an External Bath,” Journal of Chemical Physics, Vol. 81, 1984, pp. 3684-3690. doi:10.1063/1.448118

has been cited by the following article:

• TITLE: Molecular Simulation of Ion Transport at the Water/Vapor Interface

  AUTHORS: Jalal Dweik, Mahmoud Srour, Khaled Karaky, Marwan Kobeissi, Wissam Joumaa, Khalil Abou-Saleh

  KEYWORDS: Molecular Dynamics; Ions; Interface; Interaction potentials; Solvation; Polarization

  JOURNAL NAME: Open Journal of Physical Chemistry, Vol.2 No.3, August 31, 2012

  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.