Title of article
How does the electronic continuum model perform in the prediction of the surface tension of salt solutions?
Author/Authors
Neyt، نويسنده , , Jean Claude and Wender، نويسنده , , Aurélie and Lachet، نويسنده , , Véronique and Szymczyk، نويسنده , , Anthony and Ghoufi، نويسنده , , Aziz and Malfreyt، نويسنده , , Patrice، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2014
Pages
5
From page
209
To page
213
Abstract
The electronic continuum (EC) model uses a scaling of the charges of the ions in order to model implicitly the polarization into nonpolarizable models. This scaling procedure is applied here to two standard nonpolarizable force fields to investigate the salt concentration dependence of the surface tension and density of NaCl aqueous solutions. The composition of the interface and the orientation of the water molecules at the water surface are reported for different combinations of force fields.
Journal title
Chemical Physics Letters
Serial Year
2014
Journal title
Chemical Physics Letters
Record number
1936339
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