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Thermodynamic Functions of Zirconolite and their Uses in Computer Simulation

Published online by Cambridge University Press:  21 March 2011

George A. Bergman ,
Alexandra Navrotsky ,
Michael I. Ojovan ,
Vsevolod L. Klimov ,
Olga K. Karlina  and
Galina Yu. Pavlova
George A. Bergman
Affiliation:
Scientific and Industrial Association “Radon”, 7th Rostovsky Lane, 2/14, Moscow, 119121, Russia, [email protected]
Alexandra Navrotsky
Affiliation:
Thermochemistry Facility, Department of Chemical Engineering and Material Science, University of California at Davis, Davis, CA 95616, U.S.A., [email protected]
Michael I. Ojovan
Affiliation:
Scientific and Industrial Association “Radon”, 7th Rostovsky Lane, 2/14, Moscow, 119121, Russia, [email protected]
Vsevolod L. Klimov
Affiliation:
Scientific and Industrial Association “Radon”, 7th Rostovsky Lane, 2/14, Moscow, 119121, Russia, [email protected]
Olga K. Karlina
Affiliation:
Scientific and Industrial Association “Radon”, 7th Rostovsky Lane, 2/14, Moscow, 119121, Russia, [email protected]
Galina Yu. Pavlova
Affiliation:
Scientific and Industrial Association “Radon”, 7th Rostovsky Lane, 2/14, Moscow, 119121, Russia, [email protected]
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Abstract

The enthalpy of melting and the heat capacity of liquid zirconolite (CaZrTi2O7) are estimated as equal to 200 ± 20 kJ·dmol−1 and 350 ± 50 J·mol−1·K−1, respectively. Thermodynamic functions of solid and liquid zirconolite are calculated based on these estimated data and the results of Navrotsky et al. On the basis of these thermodynamic functions, computational thermodynamic simulation is performed on the thermochemical synthesis of zirconolite-bearing materials. Demonstration indicates that synthesis of zirconolite-like matrix materials is possible using the self-sustaining exothermic reaction.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 713: Symposium JJ – Scientific Basis for Nuclear Waste Management XXV , 2002 , JJ11.20
Copyright
Copyright © Materials Research Society 2002

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References

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