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

The Journal of Chemical Physics
F GoujonDominic J Tildesley

Abstract

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))(z1, cos θ12, r12). 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.

References

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Citations

Feb 8, 2016·The Journal of Chemical Physics·Stephan WerthHans Hasse
Nov 18, 2015·Journal of Chemical Theory and Computation·Florent GoujonDominic J Tildesley
Sep 24, 2015·The Journal of Chemical Physics·Jason R MickJeffrey J Potoff
Jul 17, 2015·The Journal of Chemical Physics·Julien O Sindt, Philip J Camp
Jul 14, 2016·Journal of Chemical Theory and Computation·Linnea Lundberg, Olle Edholm
Jan 9, 2016·Chemical Society Reviews·Aziz GhoufiDominic J Tildesley
Apr 14, 2020·Physical Review Letters·JingCun FanFengChao Wang
Jul 3, 2017·The Journal of Chemical Physics·Maryna Vlasiuk, Richard J Sadus
Jun 30, 2019·The Journal of Physical Chemistry. B·Konstantinos D PapavasileiouIoannis G Economou
Jul 26, 2017·Journal of Chemical Theory and Computation·Jiří JanečekPatrice Paricaud

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