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Three-body interactions and the phase equilibria of mixtures
Gianluca Marcelli, Richard J Sadus

Gibbs ensemble Monte-Carlo simulations are reported for the vapour – liquid phase coexistence of the binary argon + krypton mixture. The calculations employ accurate two-body potentials in addition to contributions from three-body dispersion resulting from third-order triple-dipole interactions. The calculations are in good overall agreement with experiment. The composition of coexisting vapour and liquid phases is relatively unaffected by three-body interactions. In contrast, three-body interactions affect substantially the density of the liquid phase.

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