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• W2001817967 abstract "In order to understand, at a molecular level, the mechanisms involved in the interactions between radionuclides and minerals, both thermodynamic and structural investigations, using spectroscopic techniques, are presented. However, the natural clays are rather complex minerals. Therefore, it is first necessary to perform these studies on simple substrates such as single crystal and oxides, and then extrapolate the obtained results on the natural minerals. We examine in this review the sorption processes of the hexavalent uranium onto montmorillonite, TiO2 (powder and single crystal), silica and alumina as well. The corresponding sorption constants are determined using the results obtained with the following techniques: laser-induced spectrofluorimetry, X-ray photoelectron spectroscopy, second-harmonic generation and X-ray absorption spectroscopy. In addition, for TiO2, these results are compared with theoretical calculations using periodic density functional theory, which gives the atom distribution at the interface and the relative energy stabilities of the different surface complexes. Afin de comprendre, à l'échelle moléculaire, les mécanismes impliqués dans les interactions entre radionucléides et minéral, des études thermodynamiques et structurales sont présentées. Les argiles constituant une famille de substrats complexes, il est nécessaire de réaliser ce type d'étude sur des phases unitaires représentatives, afin d'extrapoler ensuite ces résultats aux solides naturels. Sont examinés, dans cette revue, les processus de sorption de l'uranium hexavalent sur la montmorillonite, TiO2 (poudre et monocristal) et également sur l'alumine et la silice. Les constantes de sorption correspondantes sont déterminées en utilisant les résultats structuraux obtenus à l'aide des techniques spectroscopiques suivantes : spectrofluorimétrie laser, spectroscopie de photoélectrons X, génération de seconde harmonique et spectroscopie d'absorption X. De plus, pour TiO2, ces résultats sont comparés à des calculs périodiques utilisant la théorie de la fonctionnelle de la densité, qui permettent d'accéder à la distribution des atomes à l'interface ainsi qu'à la stabilité relative des complexes de surface." @default.
• W2001817967 created "2016-06-24" @default.
• W2001817967 creator A5001278291 @default.
• W2001817967 creator A5009043932 @default.
• W2001817967 creator A5029570494 @default.
• W2001817967 date "2007-10-01" @default.
• W2001817967 modified "2023-10-18" @default.
• W2001817967 title "Molecular approach of the uranyl/mineral interfacial phenomena" @default.
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• W2001817967 doi "https://doi.org/10.1016/j.crci.2007.01.014" @default.
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