Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 140, Issue 24, Pages -Publisher
AIP Publishing
DOI: 10.1063/1.4885351
Keywords
-
Ask authors/readers for more resources
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.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available