Improvement of predictive accuracy of the UNIFAC model for vapor-liquid equilibria of polymer solutions

Chongli Zhong, Yoshiyuki Sato, Hirokatsu Masuoka, Xiaoning Chen

Research output: Contribution to journalArticle

51 Citations (Scopus)

Abstract

The UNIFAC model is extended to the prediction of vapor-liquid equilibria of polymer solutions using a proposed relation between the volume parameter r(n) for an n-mer polymer and that r(1) for the monomer. The modified UNIFAC model does not require a free-volume term as does the UNIFAC-FV model. As a result, no additional information is needed for the vapor-liquid equilibria Eq. (1a) calculation of polymer solutions other than the original UNIFAC group parameters. For 51 binary polymer-solvent systems, the total average absolute deviation of solvent activities in polymer solutions was 6.8% for the modified UNIFAC model versus 7.4% for the UNIFAC-FV model and 18.7% for the original UNIFAC model.

Original languageEnglish
Pages (from-to)97-106
Number of pages10
JournalFluid Phase Equilibria
Volume123
Issue number1-2
DOIs
Publication statusPublished - 1996 Aug 15

Keywords

  • Excess function
  • Polymer solution
  • UNIFAC model
  • Vapor-liquid equilibria

ASJC Scopus subject areas

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

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