Molecular Forces in Liquid–Liquid Extraction
| Autor: | Jean-François Dufrêche, Mario Špadina, Stjepan Marčelja, Thomas Zemb, Stéphane Pellet-Rostaing |
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| Přispěvatelé: | Ruđer Bošković Institute (IRB), Faculty of Health Sciences, University of Ljubljana, Modélisation Mésoscopique et Chimie Théorique (LMCT), Institut de Chimie Séparative de Marcoule (ICSM - UMR 5257), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Tri ionique par les Systèmes Moléculaires auto-assemblés (LTSM), Australian National University (ANU), ANR-18-CE29-0010,MULTISEPAR,Modelisation multi-échelle des phases organiques pour l'extraction liquid-liquide(2018), European Project: 320915,EC:FP7:ERC,ERC-2012-ADG_20120216,REE-CYCLE(2013), University of Ljubljana, Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie du CNRS (INC)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS) |
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
Materials science
Entropy Liquid-Liquid Extraction Supramolecular chemistry Ionic bonding Context (language use) 02 engineering and technology Molecular Dynamics Simulation 010402 general chemistry 01 natural sciences Ion Phase (matter) Electrochemistry General Materials Science Spectroscopy Surfaces and Interfaces 021001 nanoscience & nanotechnology Condensed Matter Physics 0104 chemical sciences Condensed Matter::Soft Condensed Matter Solvent Solutions [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry Solvation shell Membrane Chemical physics Solvents 0210 nano-technology |
| Zdroj: | Langmuir Langmuir, American Chemical Society, In press, ⟨10.1021/acs.langmuir.1c00673⟩ Langmuir, 2021, 37 (36), pp.10637-10656. ⟨10.1021/acs.langmuir.1c00673⟩ |
| ISSN: | 0743-7463 1520-5827 |
| Popis: | International audience; The phase transfer of ions is driven by gradients of chemical potentials rather than concentrations alone (i.e., by both the molecular forces and entropy). Extraction is a combination of high-energy interactions that correspond to short-range forces in the first solvation shell such as ion pairing or complexation forces, with supramolecular and nanoscale organization. While the latter are similar to the long-range solvent-averaged interactions in the colloidal world, in solvent extraction they are associated with lower characteristic lengths of the nanometric domain. Modeling of such complex systems is especially complicated because the two domains are coupled, whereas the resulting free energy of extraction is around kBT to guarantee the reversibility of the practical process. Nevertheless, quantification is possible by considering a partitioning of space among the polar cores, interfacial film, and solvent. The resulting free energy of transfer can be rationalized by utilizing a combination of terms which represent strong complexation energies, counterbalanced by various entropic effects and the confinement of polar solutes in nanodomains dispersed in the diluent, together with interfacial extractant terms. We describe here this ienaics approach in the context of solvent extraction systems; it can also be applied to further complex ionic systems, such as membranes and biological interfaces. |
| Databáze: | OpenAIRE |
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