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

Voutsas, E.C. and Flores, M.V. and Spiliotis, N. and Bell, G. and Halling, P.J. and Tassios, D.P. (2001) Prediction of critical micelle concentrations of nonionic surfactants in aqueous and nonaqueous solvents with UNIFAC. Industrial and Engineering Chemistry Research, 40 (10). pp. 2362-2366. ISSN 0888-5885

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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.