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Prediction of Mixture Properties Using UNIFAC

  • Jürgen Gmehling

Abstract

In the last 20 years great progress has been achieved in the calculation and prediction of the real behavior of multicomponent systems using gE-models or EOS and binary information alone.

When the required binary data are missing, the group contribution method UNIFAC can be applied to complete the available experimental information; however, this method also shows some weaknesses.

In this paper results for the UNIFAC method will be presented together with the improvements which are obtained when a modified form of the UNIFAC method and a larger data base are used.

Keywords

Infinite Dilution Extractive Distillation Combinatorial Part UNIFAC Model Azeotropic Data 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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References

  1. Christensen C., J. Gmehling, P. Rasmussen, U. Weidlich, 1984. Heats of Mixing Data Collection, DECHEMA Chemistry Data Series, Vol. III, 2 parts, Frankfurt.Google Scholar
  2. Fredenslund A., J. Gmehling, P. Rasmussen, 1977. Vapor-Liquid Equilibria Using UNIFAC Elsevier, Amsterdam.Google Scholar
  3. Fredenslund, A., Jones R.L., Prausnitz, J.M., 1975 AIChE J. 21: 1086CrossRefGoogle Scholar
  4. Gmehling J., U. Onken, W. Arlt, P. Grenzheuser, B. Kolbe, U. Weidlich, 1977–1984. Vapor-Liquid Equilibrium Data Collection, DECHEMA Chemistry Data Series, Vol. I, 13 parts, Frankfurt.Google Scholar
  5. Gmehling, J., P. Rasmussen, A. Fredenslund, 1982. Vapor-Liquid Equilibria by UNIFAC Group Contribution Revision and Extension II, Ind. Eng. Chem., Process Des. Dev., 21: 118.CrossRefGoogle Scholar
  6. Gmehling J. CODATA Bulletin 58, November 1985 Dortmund Data Bank — Basis for the Development of Prediction methodsGoogle Scholar
  7. Horsley, L.H., 1973, Azeotropic Data III, American Chemical Society, WashingtonGoogle Scholar
  8. Hansch C., Leo A. 1979, Substituent Constants for Correlation Analysis in Chemistry and Biology, Wiley, New YorkGoogle Scholar
  9. Macedo, E., U. Weidlich, J. Gmehling, P. Rasmussen, 1983. UNIFAC, Revision and Extension 3, Ind. Eng. Chem., Process Des. Dev., 22: 676.CrossRefGoogle Scholar
  10. Sørensen J.M., W. Arlt, 1979. Liquid-Liquid Equilibrium Data Collection, DECHEMA Chemistry Data Series, Vol. V, 3 parts, Frankfurt.Google Scholar
  11. Tiegs D., J. Gmehling, A. Medina, M. Soares, J. Bastos, P. Alessi, I. Kikic, 1986. Activity Coefficients at Infinite Dilution, DECHEMA Chemistry Data Series, Vol. IX, 2 parts, Frankfurt.Google Scholar
  12. Tiegs, D., J. Gmehling, P. Rasmussen, A. Fredenslund, 1987. Vapor-Liquid Equilibria by UNIFAC Group Contribution: Revision and Extension. 4, Ind. Eng. Chem. Research, 26: 159.CrossRefGoogle Scholar
  13. Weidlich, U., J. Gmehling, 1987. A Modified UNIFAC Model Part I Prediction of VLE, hE and ∞γ, Ind. Eng. Chem. Res., 26: 1372.CrossRefGoogle Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 1988

Authors and Affiliations

  • Jürgen Gmehling
    • 1
  1. 1.Lehrstuhl für Technische Chemie B, Fachbereich ChemietechnikUniversität DortmundDortmundFederal Republic of Germany

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