title: The gas-liquid surface tension of argon: a reconciliation between experiment and simulation.
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.
authors.affiliation: ICCF, UMR CNRS 6296, Université Blaise Pascal, 63177 Aubière Cedex, France.
authors.forename: Florent
authors.initials: F
authors.lastname: Goujon
authors.affiliation: ICCF, UMR CNRS 6296, Université Blaise Pascal, 63177 Aubière Cedex, France.
authors.forename: Patrice
authors.initials: P
authors.lastname: Malfreyt
authors.affiliation: EPFL-CECAM, Batochime (BCH), CH-1015 Lausanne, Switzerland.
authors.forename: Dominic J
authors.initials: DJ
authors.lastname: Tildesley