The performance of UNIFAC and related group contribution models part I. Prediction of infinite dilution activity coefficients

Halime Ö Paksoy, Sermin Örnektekin, Bilgin Balcl, Yasar Demirel

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

Infinite dilution activity coefficients have been calculated for 24 systems including highly non-ideal and nearly non-ideal using original, modified UNIFAC and UNIFAC-FV models. The calculations are compared with experimental results. The performance of the models in predictions and the significance of free volume effects on solvent activities in solutions containing small compounds are discussed.

Original languageEnglish (US)
Pages (from-to)235-249
Number of pages15
JournalThermochimica Acta
Volume287
Issue number2
DOIs
StatePublished - Oct 1 1996

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Activity coefficients
Dilution
dilution
Free volume
coefficients
predictions

Keywords

  • Activity coefficient
  • Infinite dilution
  • UNIFAC
  • UNIFAC-FV

ASJC Scopus subject areas

  • Instrumentation
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Cite this

The performance of UNIFAC and related group contribution models part I. Prediction of infinite dilution activity coefficients. / Paksoy, Halime Ö; Örnektekin, Sermin; Balcl, Bilgin; Demirel, Yasar.

In: Thermochimica Acta, Vol. 287, No. 2, 01.10.1996, p. 235-249.

Research output: Contribution to journalArticle

Paksoy, Halime Ö ; Örnektekin, Sermin ; Balcl, Bilgin ; Demirel, Yasar. / The performance of UNIFAC and related group contribution models part I. Prediction of infinite dilution activity coefficients. In: Thermochimica Acta. 1996 ; Vol. 287, No. 2. pp. 235-249.
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