Phase equilibria of binary Lennard-Jones mixtures with cubic equations of state

Vassilis I. Harismiadis, Athanassios Z. Panagiotopoulos, Dimitrios P. Tassios

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Harismiadis, V.I., Panagiotopoulos, A.Z. and Tassios, D.P., 1994. Phase equilibria of binary Lennard-Jones mixtures with cubic equations of state. Fluid Phase Equilibria, 94: 1-18. The ability of cubic equations of state to predict the phase behavior of the Lennard-Jones pure fluid and asymmetric binary mixtures obeying the Lorentz-Berthelot combining rules is examined. It is shown that the commonly used Soave-Redlich-Kwong and Peng-Robinson equations of state give good vapor pressures but incorrect saturated liquid densities for the pure fluid. A modification of the Peng-Robinson equation of state that uses a volume translation term to describe accurately the saturated liquid densities is proposed. For the mixture calculations, we use the van der Waals one-fluid conformal solution mixing rules. All the cubic equations of state tested give excellent pressure-composition phase diagrams for the binary mixtures. Predictions of pressure-density phase envelopes are less satisfactory, but equivalent to those of other more complex equations of state previously developed for the Lennard-Jones fluid. Our results suggest that cubic equations of state can be used to model mixtures of significantly different compounds provided that appropriate combining and mixing rules are used.

Original languageEnglish (US)
Pages (from-to)1-18
Number of pages18
JournalFluid Phase Equilibria
Issue numberC
StatePublished - Mar 15 1994
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • General Chemical Engineering
  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


  • Lennard-Jones
  • cubic
  • equation of state
  • mixing rules
  • mixtures.
  • theory
  • vapor-liquid equilibria


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