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

E. C. Voutsas; M. V. Flores; N. Spiliotis; George Bell; P. J. Halling; D. P. Tassios

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

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

School of Engineering & Physical Sciences

Research output: Contribution to journal › Article › peer-review

22 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.

Original language	English
Pages (from-to)	2362-2366
Number of pages	5
Journal	Industrial and Engineering Chemistry Research
Volume	40
Issue number	10
Publication status	Published - 16 May 2001

Cite this

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title = "Prediction of critical micelle concentrations of nonionic surfactants in aqueous and nonaqueous solvents with UNIFAC",

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.",

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AU - Voutsas, E. C.

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AU - Bell, George

AU - Halling, P. J.

AU - Tassios, D. P.

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AB - 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.

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

Abstract

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