A high throughput method to determine selectivity of ion phase transfer in multi- component chemical systems: towards predictive modelling of extraction

Johannes Theisen; Julien Rey; Christophe Penisson; Jean Duhamet; Véronique Dubois; Nicolas Verplanck; Olivier Diat; Stéphane Pellet-Rostaing; Jean-Francois Dufrêche; Daniel Meyer; Helmuth Möhwald; Thomas Zemb; Jean-Christophe Gabriel

A high throughput method to determine selectivity of ion phase transfer in multi- component chemical systems: towards predictive modelling of extraction

Johannes Theisen ^{1, 2} Julien Rey ² Christophe Penisson ^{1, 2} Jean Duhamet ^{3, 2} Véronique Dubois ² Nicolas Verplanck ^{4, 2} Olivier Diat ¹ Stéphane Pellet-Rostaing ² Jean-Francois Dufrêche ⁵ Daniel Meyer ⁶ Helmuth Möhwald ^{7, 2, *} Thomas Zemb ² Jean-Christophe Gabriel ^{8, 2}

* Auteur correspondant

1 L2IA - Ions aux Interfaces Actives

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

3 CEA Marcoule

4 SBSC - Service Bio-System on Chip

DTBS - Département Microtechnologies pour la Biologie et la Santé : DRT/LETI/DTBS

5 LMCT - Modélisation Mésoscopique et Chimie Théorique

ICSM - UMR 5257 - Institut de Chimie Séparative de Marcoule

6 LHyS - Systèmes HYbrides pour la Séparation

ICSM - UMR 5257 - Institut de Chimie Séparative de Marcoule

7 Max Planck Institute of Colloids and Interfaces

8 DSM/DPNS, CEA

Abstract : Liquid-liquid extraction is a crucial process for recycling chemistry. In order to reuse and to avoid mining of rare earths, recycling has often to be performed by separating and purifying the rare earths from iron. This known technology relies on ion equilibria in coexisting phases located between binodal tie-lines in the Winsor II regime of a microemulsion with excess brine. Since the systems contain ten components, the phase diagram in seven dimensions must be projected in tetrahedron. The selectivity and differences of free energy of transfer can be determined with good reliability and with reasonable time: days instead of months needed by batch methods. Availability of data with variable composition allows to challenge the very few predictive models based on first principles and evaluating the free energy of transfer terms.

Keywords : First principles modeling Free energy Liquid-liquid extraction Recycling Rare earth recovery Microfluidiques Phase diagram determination

Type de document :

Communication dans un congrès

PACIFICHEM, Nov 2015, Honolulu, Hawai, United States. 2015, 〈http://www.pacifichem.org/〉

Domaine :

Chimie

Sciences de l'ingénieur [physics]

Liste complète des métadonnées

https://hal-cea.archives-ouvertes.fr/cea-01555685
Contributeur : Jean Christophe Gabriel <>
Soumis le : mardi 4 juillet 2017 - 12:12:03
Dernière modification le : lundi 11 février 2019 - 16:48:05
Document(s) archivé(s) le : vendredi 15 décembre 2017 - 00:05:15

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A high throughput method to determine selectivity of ion phase transfer in multi- component chemical systems: towards predictive modelling of extraction

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A high throughput method to determine selectivity of ion phase transfer in multi- component chemical systems: towards predictive modelling of extraction

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