journal article·2001

Three-body interactions and the phase equilibria of mixtures

Gianluca Marcelli, Richard Sadus

High Temperatures-High Pressures· Volume 33· Issue 1
Publisher page

Abstract

Gibbs ensemble Monte-Carlo simulations are reported for the vapour-liquid phase \ncoexistence of the binary argon - krypton mixture. The calculations employ accurate two-body \npotentials in addition to contributions from three-body dispersion resulting from third-order \ntriple-dipole interactions. The calculations are in good overall agreement with experiment. The \ncomposition of coexisting vapour and liquid phases is relatively unaffected by three-body interactions. \nIn contrast, three-body interactions affect substantially the density of the liquid phase.
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Research context

OpenAlex topics: Advanced Chemical Physics Studies · Phase Equilibria and Thermodynamics · nanoparticles nucleation surface interactions

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