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Comparative study of the effect of tail corrections on surface tension determined by molecular simulation

Authors :
Shen, Vincent K.
Mountain, Raymond D.
Errington, Jeffrey R.
Source :
Journal of Physical Chemistry B. June 7, 2007, Vol. 111 Issue 22, 6198-6207
Publication Year :
2007

Abstract

Results from a comparative study of recently introduced tail corrections are presented to calculate surface tension in systems where the dominant long-range interaction is dispersive. It is found that with standard tail corrections the surface tension decreases with increasing cutoff distance reaching a limiting value corresponding to the maximum cutoff possible.

Details

Language :
English
ISSN :
15206106
Volume :
111
Issue :
22
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry B
Publication Type :
Academic Journal
Accession number :
edsgcl.167366606