UO22+ structure in solvent extraction phases resolved at molecular and supramolecular scales: a combined molecular dynamics, EXAFS and SWAXS approach-Reference-Cited by-同舟云学术

UO22+ structure in solvent extraction phases resolved at molecular and supramolecular scales: a combined molecular dynamics, EXAFS and SWAXS approach

Published:2019 Issue:15 Volume:21 Page:7894-7906
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Duvail Magali¹²³⁴⁵^ORCID,Dumas Thomas²⁶⁷⁸⁹^ORCID,Paquet Amaury²⁶⁷⁸⁹^ORCID,Coste Amaury¹²³⁴⁵^ORCID,Berthon Laurence²⁶⁷⁸⁹^ORCID,Guilbaud Philippe²⁶⁷⁸⁹^ORCID

Affiliation:

1. ICSM

2. CEA

3. CNRS

4. ENSCM

5. Univ Montpellier

6. DEN

7. MAR

8. DMRC

9. SPDS

Abstract

We developed a polarizable force field for unraveling the UO₂²⁺ structure in both aqueous and solvent extraction phases.

Funder

Agence Nationale de la Recherche

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP07230B

Reference100 articles.

1. Probing organic phase ligand exchange kinetics of 4f/5f solvent extraction systems with NMR spectroscopy

2. Recycling metals by controlled transfer of ionic species between complex fluids: en route to “ienaics”

3. Influence of the extracted solute on the aggregation of malonamide extractant in organic phases: Consequences for phase stability

4. Recent advances on the chemistry of solvent extraction applied to the reprocessing of spent nuclear fuels and radioactive wastes

5. Multi-scale modelling of uranyl chloride solutions

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