2011
ACLN
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C.Bessada, O.Pauvert, L.Maksoud, D.Zanghi, V.Sarou-Kanian, M.Gobet, A.L.Rollet, A.Rakhmatullin, M.Salanne, C.Simon, D.Thiaudiere, H.Matsuura, 'In situ experimental approach of speciation in molten fluorides: a combination of NMR, EXAFS and Molecular Dynamics', Proceeding of the 9th International Symposium on Molten Salts Chemistry and Technology (2011)
Because of their strong reactivity at high temperature towards a great number of materials, the experimental analysis of molten fluorides is extremely difficult and requires specific developments especially in the case of actinide fluorides. The combination of high temperature NMR and EXAFS spectroscopy in situ in the melts with Molecular Dynamics simulation allow determining the nature and the distribution of the different complexes depending on different parameters such as composition, temperature or oxide content. The structural description in terms of coordination number, of bridging or free fluorines, can be now combined with a dynamical approach given by self-diffusion coefficients measurements using PFG NMR adapted to high temperature and corrosive media such as molten fluorides.
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