Phase equilibrium of asymmetric systems by predictive equations of state models

Orbey H., Balci C., Guruz G.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, vol.41, no.5, pp.963-967, 2002 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 41 Issue: 5
  • Publication Date: 2002
  • Doi Number: 10.1021/ie0102697
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.963-967
  • Middle East Technical University Affiliated: No


In this study the modified Wong-Sandler (WS), the modified Huron-Vidal second-order (MHV2), and the Orbey-Sandler (HVOS) mixing rules were used for phase equilibrium correlation of carbon dioxide in n-alkanes, alcohols and water systems. Their correlative and predictive capabilities were compared. In all of these calculations, the Peng-Robinson-Stryjek-Vera (PRSV) equation of state (EOS) was used. It was found that the correlation capacity of the WS mixing rule is better than the HVOS mixing rule. The MHV2 mixing rule failed for highly asymmetric systems, especially in the critical region. The prediction capacities of the WS and HVOS mixing rules, based on the extrapolation of model parameters obtained at the lowest available temperature and pressure to higher values, were found to be acceptable. Also, for carbon dioxide-alkane binaries model parameters were expressed successfully as a function of temperature and the number of carbon atoms in the solvent using the WS mixing rule.