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Monte Carlo Modelling of Glass Dissolution: Comparison with Experiments

Published online by Cambridge University Press:  21 March 2011

M. Lobanova ,
L. Maurer ,
P. Barboux ,
F. Devreux  and
Y. Minet
M. Lobanova
Affiliation:
Laboratoire de Physique de la Matière Condensée, Ecole Polytechnique & CNRS, 91128 Palaiseau Cedex, France
L. Maurer
Affiliation:
Laboratoire de Physique de la Matière Condensée, Ecole Polytechnique & CNRS, 91128 Palaiseau Cedex, France
P. Barboux
Affiliation:
Laboratoire de Physique de la Matière Condensée, Ecole Polytechnique & CNRS, 91128 Palaiseau Cedex, France
F. Devreux
Affiliation:
Laboratoire de Physique de la Matière Condensée, Ecole Polytechnique & CNRS, 91128 Palaiseau Cedex, France Email: [email protected]
Y. Minet
Affiliation:
Laboratoire d'Etude de l'Altérabilité des Matériaux, DCC/DRDD/SCD, CEA-Marcoule, BP 171, 30207 Bagnols-sur-Cèze Cedex, France
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Abstract

One presents the results of numerical simulations of glass leaching. The glass is modelled as a random mixture of partly and totally soluble species, which represent silica, and boron or alkali oxides, respectively. It is shown that the dissolution rate and the thickness of the altered surface layer are strongly dependent on the glass composition, whereas the equilibrium solubility is not. The dependence of the layer thickness on the glass surface area to solution volume ratio is also emphasized. The protective role of the surface layer is shown to arise from its restructuring after the extraction of the soluble species. The simulation results are compared to an experimental study performed on series of SiO2-B2O3-Na2O glasses.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 663: Symposium – Scientific Basis for Nuclear Waste management XXIV , 2000 , 237
Copyright
Copyright © Materials Research Society 2001

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References

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