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  4. The gas-liquid surface tension of argon: A reconciliation between experiment and simulation
 
research article

The gas-liquid surface tension of argon: A reconciliation between experiment and simulation

Goujon, Florent
•
Malfreyt, Patrice
•
Tildesley, Dominic J.  
2014
Journal Of Chemical Physics

We present a simulation of the liquid-vapor interface of argon with explicit inclusion of the three-body interactions. The three-body contributions to the surface tension are calculated using the Kirkwood-Buff approach. Monte Carlo calculations of the long-range corrections to the three-body contribution are calculated from the radial distribution function g ((2))(Z(1) cos theta(12), r(12)). Whereas the effective two-body potentials overestimate the surface tension by more than 15%, the inclusion of the three-body potential provides an excellent agreement with the experimental results for temperatures up to 15?K below the critical temperature. We conclude that the three-body interactions must be explicitly included in accurately modelling the surface tension of argon. (C) 2014 AIP Publishing LLC.

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Type
research article
DOI
10.1063/1.4885351
Web of Science ID

WOS:000338634200076

Author(s)
Goujon, Florent
Malfreyt, Patrice
Tildesley, Dominic J.  
Date Issued

2014

Publisher

Amer Inst Physics

Published in
Journal Of Chemical Physics
Volume

140

Issue

24

Article Number

244710

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
ISIC-GE  
Available on Infoscience
October 23, 2014
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/107937
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