Prediction of critical micelle concentrations of nonionic surfactants in aqueous and nonaqueous solvents with UNIFAC

E.C. Voutsas, M.V. Flores, N. Spiliotis, G. Bell, P.J. Halling, D.P. Tassios

Research output: Contribution to journalArticle

16 Citations (Scopus)

Abstract

The UNIFAC group-contribution model is used to predict the critical micelle concentration (cmc) of nonionic surfactants in aqueous and nonaqueous solvents. For predicting the cmc, the phase-separation thermodynamic framework approach is used, where the micellar phase is approximated as a second liquid phase resulting from the liquid-liquid equilibrium between the solvent and the surfactant. The necessary activity coefficients are predicted by UNIFAC. The most promising UNIFAC model for this purpose was found to be the UNIFAC-Lyngby (Ind. Eng. Chem. Res. 1987, 26, 2274). To improve the results for surfactants containing oxyethylene chains, a new set of parameters was evaluated for this group, leading to still better cmc predictions for both water and organic solvents, as well as binary solvent systems.
LanguageEnglish
Pages2362-2366
Number of pages4
JournalIndustrial and Engineering Chemistry Research
Volume40
Issue number10
DOIs
Publication statusPublished - 16 May 2001

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Critical micelle concentration
Nonionic surfactants
Surface-Active Agents
Liquids
Surface active agents
Activity coefficients
Phase separation
Organic solvents
Thermodynamics
Water

Keywords

  • Vapor liquid equilibrium
  • poly(ethylene glycols)
  • activity- coefficients
  • water
  • model
  • aggregation
  • parameter
  • mixtures
  • behavior

Cite this

Voutsas, E.C. ; Flores, M.V. ; Spiliotis, N. ; Bell, G. ; Halling, P.J. ; Tassios, D.P. / Prediction of critical micelle concentrations of nonionic surfactants in aqueous and nonaqueous solvents with UNIFAC. In: Industrial and Engineering Chemistry Research. 2001 ; Vol. 40, No. 10. pp. 2362-2366.
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Prediction of critical micelle concentrations of nonionic surfactants in aqueous and nonaqueous solvents with UNIFAC. / Voutsas, E.C.; Flores, M.V.; Spiliotis, N.; Bell, G.; Halling, P.J.; Tassios, D.P.

In: Industrial and Engineering Chemistry Research, Vol. 40, No. 10, 16.05.2001, p. 2362-2366.

Research output: Contribution to journalArticle

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AU - Voutsas, E.C.

AU - Flores, M.V.

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AU - Bell, G.

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KW - model

KW - aggregation

KW - parameter

KW - mixtures

KW - behavior

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