On the calculations of azeotropes from the NRTL and UNIQUAC models

Y. Demirel

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

The local composition models of NRTL and UNIQUAC have been used in predicting of azeotropic data for binary and ternary liquid mixtures of various types. Activity coefficients have been calculated using the temperature dependent parameters of the models. In order to avoid the convergence problem of Newton's method due to initializing the unknowns,the step controlled Newton's method has been used. The results show that the performance of the UNIQUAC model is slightly better than that of the NRTL model. However the performances of the models change from one mixture to another.

Original languageEnglish (US)
Pages (from-to)1-13
Number of pages13
JournalFluid Phase Equilibria
Volume86
Issue numberC
DOIs
StatePublished - Jul 1 1993

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azeotropes
Azeotropes
Newton methods
Newton-Raphson method
Activity coefficients
Liquids
coefficients
liquids
Chemical analysis

Keywords

  • NRTL and UNIQUAC models
  • Newton's method
  • azeotropes
  • theory

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

On the calculations of azeotropes from the NRTL and UNIQUAC models. / Demirel, Y.

In: Fluid Phase Equilibria, Vol. 86, No. C, 01.07.1993, p. 1-13.

Research output: Contribution to journalArticle

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