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A predictive model of reverse micelles solubilizing water for solvent extraction

Michael Bley 1 Bertrand Siboulet 1 Anwesa Karmakar 1 Thomas Zemb 2 Jean-François Dufrêche 1
1 LMCT - Modélisation Mésoscopique et Chimie Théorique
ICSM - UMR 5257 - Institut de Chimie Séparative de Marcoule
2 LTSM - Tri ionique par les Systèmes Moléculaires auto-assemblés
ICSM - UMR 5257 - Institut de Chimie Séparative de Marcoule
Abstract : Herein, a minimal model for the common case of W/O solubilization of badly soluble compounds present in an excess phase by reverse micellar aggregates in chemical equilibrium with its single compounds is introduced. A simple model of such liquid-liquid extractions is crucial for obtaining predictive parameter for the modelling of nuclear waste management and hydrometallurgic recycling strategies. The standard Gibbs free energy of aggregation and the concentration of the corresponding aggregate is calculated within a multiple-equilibria approach for a set of aggregate compositions of solute and amphiphilic extractant molecules. This minimal model provides potential surfaces estimating the stability of different aggregate compositions with 6.2 kJ mol−1 as a generalized bending constant. The complete concentrations of free and aggregated extractant species as well as the favored aggregation numbers, the polydispersity, the activity of the organic solvent, and the critical concentrations are captured by this thermodynamic model. An increase of the apparent critical micelle concentration for an increasing solute content in the aqueous phase is detected by this method.
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https://hal.umontpellier.fr/hal-02000058
Contributeur : Magali Duvail <>
Soumis le : mercredi 30 janvier 2019 - 13:24:01
Dernière modification le : samedi 6 mars 2021 - 03:12:04

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Michael Bley, Bertrand Siboulet, Anwesa Karmakar, Thomas Zemb, Jean-François Dufrêche. A predictive model of reverse micelles solubilizing water for solvent extraction. Journal of Colloid and Interface Science, Elsevier, 2016, 479, pp.106-114. ⟨10.1016/j.jcis.2016.06.044⟩. ⟨hal-02000058⟩

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