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Prediction of Solid-Aqueous Equilibria in Cementitious Systems Using Gibbs Energy Minimization: II. Dual Thermodynamic Approach to Estimation of the Nonideality of End-Member Parameters

Published online by Cambridge University Press:  10 February 2011

D.A. Kulik ,
V.A. Sinitsyn  and
I.K. Karpov
D.A. Kulik
Affiliation:
State Scientific Centre for Environmental Radiogeochemistry, 34 Palladin str., 252180 Kyiv, Ukraine; R&D Centre “META”, Minchornobyl Ukraine, 255620 Chornobyl, Ukraine;
V.A. Sinitsyn
Affiliation:
R&D Centre “META”, Minchornobyl Ukraine, 255620 Chornobyl, Ukraine; Institute of Geochemistry, Mineralogy & Ore Formation, NAS Ukraine, 252180 Kyiv, Ukraine;
I.K. Karpov
Affiliation:
Institute of Geochemistry SB RAS, 664033 Irkutsk, Russia
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Extract

Prediction of pathways of radionuclides, heavy metals and other harmful components isolated in cementitious matrices is considered critical in geochemical studies related to hazardous waste disposal [1-3]. Hence, rigorous multi-phase multi-aggregate thermodynamic models with appropriate kinetic and metastability constraints can be very helpful in solving this difficult problem. In a companion contribution [4], we demonstrate that usage of the Gibbs energy minimization (GEM) algorithms permits direct calculation of solid solution – aqueous solution (SSAS) equilibria which adequately describe the solubility data. The suggested "core" thermodynamic dataset can be extended and tuned on the basis of solubility, mineralogical and petrographical studies of fresh, aged and doped cements.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 506: Symposium – Scientific Basis for Nuclear Waste Management XXI , 1997 , 983
Copyright
Copyright © Materials Research Society 1998

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References

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