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
Link To Document :
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