Publication

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

Dominic John Tildesley
2014
Journal Articles

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))(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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https://infoscience.epfl.ch/entities/publication/3ee064b9-8714-4a1d-9df9-2d78ea1ce6ee

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Dominic John Tildesley
2014
Journal Articles

Abstract

Official source

https://infoscience.epfl.ch/entities/publication/3ee064b9-8714-4a1d-9df9-2d78ea1ce6ee

About this result

Related concepts (16)

Surface tension

Surface tension is the tendency of liquid surfaces at rest to shrink into the minimum surface area possible. Surface tension is what allows objects with a higher density than water such as razor blades and insects (e.g. water striders) to float on a water surface without becoming even partly submerged. At liquid–air interfaces, surface tension results from the greater attraction of liquid molecules to each other (due to cohesion) than to the molecules in the air (due to adhesion). There are two primary mechanisms in play.

Surface energy

In surface science, surface free energy (also interfacial free energy or surface energy) quantifies the disruption of intermolecular bonds that occurs when a surface is created. In solid-state physics, surfaces must be intrinsically less energetically favorable than the bulk of the material (the atoms on the surface have more energy compared with the atoms in the bulk), otherwise there would be a driving force for surfaces to be created, removing the bulk of the material (see sublimation).

Interface (matter)

In the physical sciences, an interface is the boundary between two spatial regions occupied by different matter, or by matter in different physical states. The interface between matter and air, or matter and vacuum, is called a surface, and studied in surface science. In thermal equilibrium, the regions in contact are called phases, and the interface is called a phase boundary. An example for an interface out of equilibrium is the grain boundary in polycrystalline matter.

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