Modeling of liquid-liquid phase equilibria in aqueous solutions of poly(ethylene glycol) with a UNIFAC-based model

Efthimia A. Tritopoulou, Georgia D. Pappa, Epaminondas C. Voutsas, Ioannis Economou, Dimitrios P. Tassios

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

An activity coefficient model, which is a combination of the entropic-free volume combinatorial term and a UNIFAC residual term, referred to as EFV/UNIFAC, is applied to the correlation and prediction of the molecular weight effect on liquid-liquid equilibria (LLE) of aqueous poly-(ethylene glycol) (PEG) solutions. Interaction parameters between the end group of PEG and its repeating unit, as well as between the end group and the water molecule, are estimated by fitting activity coefficient experimental data of mixtures containing low molecular weight compounds. Interaction parameters between the water molecule and the repeating unit of PEG are determined from experimental LLE data for a single PEG molecular weight with water. These interaction parameters are used to predict the effect of the polymer molecular weight on miscibility. The proposed model provides a good compromise between accuracy and simplicity.

Original languageEnglish
Pages (from-to)5399-5408
Number of pages10
JournalIndustrial and Engineering Chemistry Research
Volume42
Issue number21
Publication statusPublished - 15 Oct 2003
Externally publishedYes

Fingerprint

phase equilibrium
Phase equilibria
ethylene
Polyethylene glycols
aqueous solution
liquid
Molecular weight
activity coefficient
Liquids
modeling
Activity coefficients
Water
Molecules
water
Free volume
polymer
Polymers
Solubility
prediction
parameter

ASJC Scopus subject areas

  • Chemical Engineering (miscellaneous)
  • Environmental Science(all)
  • Polymers and Plastics

Cite this

Modeling of liquid-liquid phase equilibria in aqueous solutions of poly(ethylene glycol) with a UNIFAC-based model. / Tritopoulou, Efthimia A.; Pappa, Georgia D.; Voutsas, Epaminondas C.; Economou, Ioannis; Tassios, Dimitrios P.

In: Industrial and Engineering Chemistry Research, Vol. 42, No. 21, 15.10.2003, p. 5399-5408.

Research output: Contribution to journalArticle

Tritopoulou, Efthimia A. ; Pappa, Georgia D. ; Voutsas, Epaminondas C. ; Economou, Ioannis ; Tassios, Dimitrios P. / Modeling of liquid-liquid phase equilibria in aqueous solutions of poly(ethylene glycol) with a UNIFAC-based model. In: Industrial and Engineering Chemistry Research. 2003 ; Vol. 42, No. 21. pp. 5399-5408.
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