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ThermoChimie, the ANDRA Thermodynamic Database

Published online by Cambridge University Press:  28 March 2012

Lara Duro ,
Mireia Grivé  and
Eric Giffaut
Lara Duro
Affiliation:
Amphos 21 Consulting S.L., P de Garcia Faria 49-51, Barcelona E-08019 Spain
Mireia Grivé
Affiliation:
Amphos 21 Consulting S.L., P de Garcia Faria 49-51, Barcelona E-08019 Spain
Eric Giffaut
Affiliation:
ANDRA 1/7 rue Jean Monnet - 92298 Chatenay Malabry cedex – France.
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Abstract

ThermoChimie is the thermodynamic data base initially created by ANDRA in 1996, especially designed and qualified for systems of interest for the French high level waste repository concept. This database is supported by an experimental program on actinides and fission products and also on major components of the systems of interest, and it has been continuously updated since its creation. The validation of the database is continuously on-going through geochemical calculations related to the performance assessment of different backfill/buffer materials and/or geological formations. ThermoChimie contains data on major elements (including stability of minerals such as clays, zeolites, cementitious phases), a long list of radioelements, such as actinides and lanthanides, chemotoxic metals, as well as organic and inorganic ligands.

Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1475: Symposium NW – Scientific Basis for Nuclear Waste Management XXXV , 2012 , imrc11-1475-nw35-o71
Copyright
Copyright © Materials Research Society 2012

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References

REFERENCES

1. Johnson, J.W, Oelkers, E.H., and Helgeson, H.C., SUPCRT92: A software package for calculating the standard molal thermodynamic properties of minerals, gases, aqueous species, and reactions from 1 to 5000 bar and 0 to 1000 ºC, Computers and Geosciences, 18, 899–947 (1992)10.1016/0098-3004(92)90029-QGoogle Scholar
2. Wagman, D.D., Evans, W.H., Parker, V.B., Schumm, R.H., Halow, I., Bailey, S.M., Churney, K.L. and Nuttall, R.L., The NBS tables of chemical thermodynamic properties, selected values for inorganic and c1 and c2 organic substances in SI units. J. Phys. Chem. Ref. Data 11 (2), 392 (1982)Google Scholar
3. Robie and Hemingway, Thermodynamic properties of minerals and related substances at 298.15 K and 1 bar (105 pascals) pressure and at higher temperatures, U.S. G.P.O. (Washington and Denver, CO, 1995).Google Scholar
4. Grenthe, I., Fuger, J., Konings, R.J.M., Lemire, R.J., Muller, A.B., Nguyen-Trung, C., Wanner, H., Chemical Thermodynamics 1; Chemical Thermodynamics of Uranium . NEA OECD, Elsevier (1992).Google Scholar
5. Lemire, R.J., Fuger, J., Nitsche, H., Potter, P., Rand, M.H., Rydberg, J., Spahiu, K., Sullivan, J.C., Ullman, W.J., Vitorge, P., Wanner, H., Chemical Thermodynamics 4. Chemical thermodynamics of neptunium and plutonium . NEA OECD, Elsevier (2001).Google Scholar
6. Guillaumont, R., Fanghänel, J., Neck, V., Fuger, J., Palmer, D.A., Grenthe, I., Rand, M.H., Chemical Thermodynamics 5. Update on the Chemical Thermodynamics of Uranium, Neptunium, Plutonium, Americium and Technetium . NEA OECD, Elsevier (2003).Google Scholar
7. Brown, P., Curti, E., Grambow, B. (with a collaboration from C. Ekberg), Chemical Thermodynamics 8. Chemical Thermodynamics of Zirconium. NEA Data bank, OECD . North Holland Elsevier Science Publishers B.V., Amsterdam, Netherlands, (2005)Google Scholar
8. Hummel, W., Anderegg, G., Rao, L., Puigdomènech, I., Tochiyama, O., Chemical Thermodynamics 9: Chemical Thermodynamics of Compounds and Complexes of U, Np, Pu, Am, Tc, Se, Ni and Zr with Selected Organic Ligands . NEA OECD, Elsevier (2005)Google Scholar
9. Gamsjäger, H., Bugajski, J., Gajda, T., Lemire, R.J. and Preis, W., Chemical Thermodynamics 6: Chemical Thermodynamics of Nickel . NEA OECD, Elsevier (2005)Google Scholar
10. Olin, A., Noläng, B., Osadchii, E.G., Öhman, L.O. and Rosén, E., Chemical Thermodynamics 7: Chemical Thermodynamics of Selenium . NEA OECD, Elsevier (2005).Google Scholar
11. Rand, M.H., Fuger, J., Grenthe, I., Neck, V. and Rai, D., Chemical Thermodynamics of Thorium. Chemical Thermodynamics 11 . NEA OECD. Issy-les- Moulineaux, France, (2009)Google Scholar
12. Bruno, J., Duro, L., Cera, E., Grivé, M., El Aamrani, F., Rovira, M., Revision of the ThermoChimie Thermodynamic Database for radioelements. Version A. ANDRA report C.RP. 0ENQ.01.002, pp.211 (2001)Google Scholar
13. Duro, L., Cera, E. and Bruno, J., Revision of the thermodynamic database for radioelements. Version B. Final report. ANDRA report C.RP.0ENQ.02-001. pp. 352 (2002).Google Scholar
14. Fuger, J. and Oetting, F.L., The chemical thermodynamics of actinide elements and compounds: Part 2. The actinide aqueous ions , Vienna: International Atomic Energy Agency, p.65 (1976).Google Scholar