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Hydration and Diffusion Mechanism of Uranyl in Montmorillonite Clay: Molecular Dynamics Using an Ab Initio Potential

 

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Opened Access Hydration and Diffusion Mechanism of Uranyl in Montmorillonite Clay: Molecular Dynamics Using an Ab Initio Potential
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Author: Pérez-Conesa, Sergio
Martínez Fernández, José Manuel
Sánchez Marcos, Enrique
Department: Universidad de Sevilla. Departamento de Química Física
Date: 2017-10-20
Published in: The Journal of Physical Chemistry C, 121 (49), 27437-27444.
Document type: Article
Abstract: Permanent geological repositories lined with bentonite, a montmorillonite-containing clay, is one of the options considered for the storage of high-level radioactive waste. If the fuel rods were dissolved by a water leak, the clay would exchange...
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Cite: Pérez-Conesa, S., Martínez Fernández, J.M. y Sánchez Marcos, E. (2017). Hydration and Diffusion Mechanism of Uranyl in Montmorillonite Clay: Molecular Dynamics Using an Ab Initio Potential. The Journal of Physical Chemistry C, 121 (49), 27437-27444.
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URI: https://hdl.handle.net/11441/79189

DOI: 10.1021/acs.jpcc.7b08479

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