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Computer Simulations of Hydration, Alteration, and Release from Waste Glasses Using A Cell Model

Published online by Cambridge University Press:  11 February 2011

Fernando C. Pérez-Cárdenas
Affiliation:
Vitreous State Laboratory, The Catholic University of America, Washington, DC 20064
Hao Gan
Affiliation:
Vitreous State Laboratory, The Catholic University of America, Washington, DC 20064
L. Pegg
Affiliation:
Vitreous State Laboratory, The Catholic University of America, Washington, DC 20064
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Abstract

A probabilistic cell model to study the hydration, alteration, and elemental release into solution from nuclear waste glasses is presented. This computational model considers the glass alteration as the product of hydration and multiple phase transformations. The model reveals that the elemental redistribution occurring as a consequence of these transformations can produce transport barriers that would affect the glass alteration and release into a surrounding aqueous solution. Importantly, the model also exhibits an apparent saturation concentration in solution, which has a kinetic origin and is lower than the true thermodynamic value. We also highlight the interplay among the different mechanisms that give rise to the glass corrosion process.

Type
Research Article
Copyright
Copyright © Materials Research Society 2003

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References

[1] Buechele, A.C., Lai, S.T., and Pegg, I.L., “Alteration Phases on High-Sodium Waste Glasses After Short- and Long-Term Hydration”, Ceramic Transactions 107, 251259 (2000).Google Scholar
[2] Perez-Cardenas, F.C., Gan, H., Lu, X., and Pegg, I.L., “Mechanism of Vapor Hydration in High-Sodium Waste Glasses from Computer Simulations”, Mat. Res. Soc. Symp. Proc. 713, 581588 (2002).CrossRefGoogle Scholar
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[7] Aertens, M. and Van Iseghem, P., “Modelling Glass Dissolution with a Monte Carlo Technique”, Mat. Res. Soc. Symp. Proc. 412, 271278 (1996).CrossRefGoogle Scholar
[8] Lu, X., Perez-Cardenas, F.C., Gan, H., Buechele, A.C., and Pegg, I.L., “Kinetics of Alteration in Vapor Phase Hydration Test on High Sodium Waste Glass”, Ceramic Transactions 132, 311322 (2001).Google Scholar

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