Extended statistical associating fluid theory (SAFT) equations of state for dipolar fluids

Eirini K. Karakatsani, Theodora Spyriouni, Ioannis Economou

Research output: Contribution to journalArticle

80 Citations (Scopus)

Abstract

Polar forces have a considerable effect on the thermodynantie and phase equilibrium properties of pure and mixture fluids. In this work, the statistical associating fluid theory (SAFT) and perturbed chain-SAFT (PC-SAFT) are extended to explicitly account for dipole-dipole interactions. A recently proposed perturbation theory for pure dipolar fluids is incorporated in both models and further extended to mixtures. Polar SAFT (PSAFT) and PC-polar SAFT (PC-PSAFT) are applied to alcohols, ketones, water, and other dipolar fluids. Vapor pressure and saturated liquid densities are correlated over a wide temperature range from low temperature up to very near the critical point. Critical constants, second virial coefficients, and monomer fraction predictions are reported. Furthermore, the models are applied to correlate the vapor-liquid equilibria of binary mixtures. A temperature-independent binary interaction parameter is regressed from experimental data. Finally, model predictions for representative polar ternary mixtures are presented. In all cases, very good agreement with experimental data is obtained.

Original languageEnglish
Pages (from-to)2328-2342
Number of pages15
JournalAICHE Journal
Volume51
Issue number8
DOIs
Publication statusPublished - Aug 2005
Externally publishedYes

Fingerprint

Equations of state
Temperature
Fluids
Vapor Pressure
Ketones
Phase equilibria
Alcohols
Water
Density of liquids
Binary mixtures
Vapor pressure
Monomers

Keywords

  • Dipolar fluids
  • Equation of state (EoS)
  • Perturbation theory
  • Phase equilibria
  • SAFT

ASJC Scopus subject areas

  • Biotechnology
  • Environmental Engineering
  • Chemical Engineering(all)

Cite this

Extended statistical associating fluid theory (SAFT) equations of state for dipolar fluids. / Karakatsani, Eirini K.; Spyriouni, Theodora; Economou, Ioannis.

In: AICHE Journal, Vol. 51, No. 8, 08.2005, p. 2328-2342.

Research output: Contribution to journalArticle

Karakatsani, Eirini K. ; Spyriouni, Theodora ; Economou, Ioannis. / Extended statistical associating fluid theory (SAFT) equations of state for dipolar fluids. In: AICHE Journal. 2005 ; Vol. 51, No. 8. pp. 2328-2342.
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