Hostname: page-component-77c89778f8-cnmwb Total loading time: 0 Render date: 2024-07-18T04:52:51.791Z Has data issue: false hasContentIssue false
  • English
  • Français

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 ,
Hao Gan  and
L. Pegg
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
Get access

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
Information
MRS Online Proceedings Library (OPL) , Volume 757: Symposium II – Scientific Basis for Nuclear Waste Management XXVI , 2002 , II1.11
Copyright
Copyright © Materials Research Society 2003

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

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, 251–259 (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, 581–588 (2002).Google Scholar
[3] Christian, J.W., The Theory of Transformations in Metals and Alloys, 2nd edition, Pergamon Press, Oxford (1975).Google Scholar
[4] Pathria, R.K., Statistical Mechanics, 2nd edition, Butterworth-Heinemann, Oxford (2001).Google Scholar
[5] Kubo, R., Statistical Mechanics, 7th edition, Elsevier, The Netherlands (1988).Google Scholar
[6] Chandrasekhar, , “Stochastic Problems in Physics and Astronomy”, Rev. Mod. Phys. 15, 1–89 (1943).Google Scholar
[7] Aertens, M. and Van Iseghem, P., “Modelling Glass Dissolution with a Monte Carlo Technique”, Mat. Res. Soc. Symp. Proc. 412, 271–278 (1996).Google 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, 311–322 (2001).Google Scholar