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

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.


Published in:
Journal Of Chemical Physics, 140, 24
Year:
2014
Publisher:
Melville, Amer Inst Physics
ISSN:
0021-9606
Laboratories:




 Record created 2014-10-23, last modified 2018-03-17


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