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Recommended gE-Model Parameters by Simultaneous Fitting of Different Excess Properties

  • Jürgen R. Rarey-Nies
  • Dieter Tiltmann
  • Jürgen Gmehling
Conference paper

Abstract

Many problems of practical interest require the knowledge of the equilibrium properties of multicomponent mixtures. With the availability of modern computers complex semiempirical models for the description of the real behavior of these mixtures became popular. These models typically require two or three parameters per binary pair of components, which have to be fitted to experimental mixture data.

Although the description of the real behavior as a function of the liquid phase composition is mostly of good accuracy, the parameters used are only valid for a limited temperature region.

This paper describes the structure of an interactive program package for the simultaneous correlation of different excess properties.

Results for the system ethanol-water are presented, which stress the importance of temperature-dependent interaction parameters.

The program-package RECVAL is directly interfaced to the Dortmund Data Bank (DDB), makes excessive use of graphics for data representation and may be extended for the correlation and prediction of pure component properties.

Keywords

Activity Coefficient Infinite Dilution Excess Gibbs Energy Real Behavior Simultaneous Correlation 
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. Abrams, D.S., J.M. Prausnitz: AIChE J. 21, 116 (1975)CrossRefGoogle Scholar
  2. Benedict, M., C.A. Johnson, E. Solomon, L.C. Rubin: Trans. Am. Inst. Chem. Eng. 41, 371 (1945)Google Scholar
  3. Christensen C., J. Gmehling, P. Rasmussen, U. Weidlich, T. Holderbaum: Heats of Mixing Data Collection, Vol. III, 2 parts, Supplement in preparation DECHEMA Chemistry Data Series, Frankfurt 1984–1988.Google Scholar
  4. Christensen, J.J., R.M. Izatt: Thermochim. Acta 73, 117 (1984)CrossRefGoogle Scholar
  5. Fredenslund, A., J. Gmehling, P. Rasmussen: Vapor-Liquid Equilibria Using UNIFAC Elsevier, Amsterdam (1977)Google Scholar
  6. Gmehling J., U. Onken, W. Arlt, P. Grenzheuser, B. Kolbe, U. Weidlich, R.J. Rarey-Nies: Vapor-Liquid-Equilibrium Data Collection, Vol. I, 14 parts, Supplements (6 parts) in preparation DECHEMA Chemistry Data Series, Frankfurt 1977–1988.Google Scholar
  7. Gmehling, J., B. Kolbe: Thermodynamik Georg Thieme Verlag, Stuttgart (1988)Google Scholar
  8. Gmehling, J.: CODATA Bulletin No. 58, “Hemodynamic Databases” Pergamon Press, Oxford (1985)Google Scholar
  9. Herington, E.F.G., Nature 160, 610 (1947)CrossRefGoogle Scholar
  10. Herington, E.F.G., J. Inst. Petrol., 37, 457 (1951)Google Scholar
  11. Kolbe, B.: Thesis, Dortmund 1983Google Scholar
  12. Kolbe, B., J. Gmehling: Fluid Phase Equilibria 23, 213 (1985)CrossRefGoogle Scholar
  13. Larkin, J.A.: J. Chem. Thermodyn. 7, 137 (1975)CrossRefGoogle Scholar
  14. Mertl, I.: Collect. Czech. Chem. Commun. 37, 366 (1972)Google Scholar
  15. Pemberton, R.C., C.J. Mash: J. Chem. Thermodyn. 10, 867 (1978)CrossRefGoogle Scholar
  16. Prausnitz, J.M., R.N. Lichtenthaler, E.G. Azevedo Molecular Thermodynamics of Fluid-Phase Equilibria: Prentice-Hall, New Jersey (1987)Google Scholar
  17. Redlich, O., A.T. Kister: Ind. Eng. Chem. 40, 345 (1948)CrossRefGoogle Scholar
  18. Renon, H., J.M. Prausnitz: AIChE J. 14, 135 (1968)CrossRefGoogle Scholar
  19. Sørensen J.M., W. Arlt: Liquid-Liquid Equilibrium Data Collection, Vol. V, 3 parts, DECHEMA Chemistry Data Series, Frankfurt 1979–1980Google Scholar
  20. Tiegs D., J. Gmehling, J. Bastos, A.G. Medina, M. Soares, P. Alessi, I. Kicić: Activity Coefficients at Infinite Dilution Data Collection, Vol. IX, 2 parts, Supplement in preparation DECHEMA Chemistry Data Series, Frankfurt 1986.Google Scholar
  21. Tochigi, K., K. Kojima: J. Chem. Eng. Jpn. 9, 267 (1976)CrossRefGoogle Scholar
  22. Van Ness, H.C., S.M. Byer, R.E. Gibbs: AIChE J. 19, 238 (1973)CrossRefGoogle Scholar
  23. Weidlich, U., J. Gmehling: Ind. Eng. Chem. Process Des. Dev. 26, 1372 (1987)Google Scholar
  24. Wilson, G. M.: J. Am. Chem. Soc. 86, 127 (1964)CrossRefGoogle Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 1988

Authors and Affiliations

  • Jürgen R. Rarey-Nies
    • 1
  • Dieter Tiltmann
    • 1
  • Jürgen Gmehling
    • 1
  1. 1.Lehrstuhl für Technische Chemie B, Fachbereich ChemietechnikUniversität DortmundDortmundFederal Republic of Germany

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