A review of group contribution methods for the prediction of phase equilibria

M. Aznar, S. Mattedi, F. W. Tavares, M. Castier, A. Silva Telles

Research output: Contribution to journalReview article

2 Citations (Scopus)

Abstract

The use of group contribution methods in phase equilibrium calculations, their fundamental hypotheses and limitations, and their application ranges, are reviewed with the help of an ample literature survey. The main and competing methods, ASOG and UNIFAC, used for the prediction of activity coefficients, are critically compared. Methods of phase equilibrium calculations, based upon equations of state are also considered. Firstly in view of the recent modifications of mixing rules introduced by Huron and Vidal, which incorporate the excess Gibbs free energy, allowing the use of the two previous methods. Secondly the more recent approach which brings in the group contribution method from the genesis of the equation of state.

Original languageEnglish
Pages (from-to)1-24
Number of pages24
JournalLatin American Applied Research
Volume27
Issue number1-2
Publication statusPublished - 1997
Externally publishedYes

Fingerprint

Equations of state
Phase equilibria
Activity coefficients
Gibbs free energy

Keywords

  • Equation of state
  • Excess Gibbs free energy
  • Group contribution
  • Phase equilibrium

ASJC Scopus subject areas

  • Chemical Engineering(all)

Cite this

Aznar, M., Mattedi, S., Tavares, F. W., Castier, M., & Telles, A. S. (1997). A review of group contribution methods for the prediction of phase equilibria. Latin American Applied Research, 27(1-2), 1-24.

A review of group contribution methods for the prediction of phase equilibria. / Aznar, M.; Mattedi, S.; Tavares, F. W.; Castier, M.; Telles, A. Silva.

In: Latin American Applied Research, Vol. 27, No. 1-2, 1997, p. 1-24.

Research output: Contribution to journalReview article

Aznar, M, Mattedi, S, Tavares, FW, Castier, M & Telles, AS 1997, 'A review of group contribution methods for the prediction of phase equilibria', Latin American Applied Research, vol. 27, no. 1-2, pp. 1-24.
Aznar, M. ; Mattedi, S. ; Tavares, F. W. ; Castier, M. ; Telles, A. Silva. / A review of group contribution methods for the prediction of phase equilibria. In: Latin American Applied Research. 1997 ; Vol. 27, No. 1-2. pp. 1-24.
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