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Examination of the short-range structure of molten salts: ThF$_{4}$, UF$_{4}$, and related alkali actinide fluoride systems

Ocádiz-Flores, J. A.; Gheribi, A. E.; Vlieland, J.; De Haas, D.; Dardenne, K. ORCID iD icon 1; Rothe, J. ORCID iD icon 1; Konings, R. J. M.; Smith, A. L.
1 Institut für Nukleare Entsorgung (INE), Karlsruher Institut für Technologie (KIT)

Abstract:
The short-range structures of LiF–ThF$_{4}$, NaF–AnF$_{4}$, KF–AnF$_{4}$, and Cs–AnF$_{4}$ (An = Th, U), were probed using in situ high temperature Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy. Signally, the EXAFS spectra of pure molten ThF$_{4}$ and UF$_{4}$ were measured for the first time. The data were interpreted with the aid of Molecular Dynamics (MD) and standard fitting of the EXAFS equation. As in related studies, a speciation distribution dominated by [AnFx]$^{4-x}$ (x = 7, 8, 9) coordination complexes was observed. The average coordination number was found to decrease with the increasing size of the alkali cation, and increase with AnF$_{4}$ content. An average coordination number close to 6, which had not been detected before in melts of alkali actinide fluorides, was seen when CsF was used as solvent.


Verlagsausgabe §
DOI: 10.5445/IR/1000133647
Veröffentlicht am 09.06.2021
Originalveröffentlichung
DOI: 10.1039/d1cp00566a
Scopus
Zitationen: 6
Dimensions
Zitationen: 7
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Nukleare Entsorgung (INE)
Publikationstyp Zeitschriftenaufsatz
Publikationsdatum 14.05.2021
Sprache Englisch
Identifikator ISSN: 1463-9076, 1463-9084
KITopen-ID: 1000133647
HGF-Programm 32.11.03 (POF IV, LK 01) Fundamental Scientific Aspects
Weitere HGF-Programme 54.11.11 (POF IV, LK 01) Accelerator Operation, Research and Development
Erschienen in Physical Chemistry Chemical Physics
Verlag Royal Society of Chemistry (RSC)
Band 23
Heft 18
Seiten 11091-11103
Vorab online veröffentlicht am 29.04.2021
Nachgewiesen in Dimensions
Web of Science
Scopus
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