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

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


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.


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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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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