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Pure Appl. Chem., 2007, Vol. 79, No. 5, pp. 883-894

http://dx.doi.org/10.1351/pac200779050883

Quality assurance in thermodynamic databases for performance assessment studies in waste disposal

W. Voigt1, V. Brendler2, K. Marsh3, R. Rarey4, H. Wanner5, M. Gaune-Escard6, P. Cloke7, Th. Vercouter8, E. Bastrakov9 and S. Hagemann10

1 TU Bergakademie Freiberg, Institut für Anorganische Chemie, LeipzigerStrasse 29, D-09596 Freiberg, Germany
2 Institute für Radiochemie,FZ Dresden-Rossendorf, Postfach 51 01 19, D-01314 Dresden, Germany
3 Department of Chemical and Process Engineering, University of Canterbury, Private Bag 4800, Christchurch, New Zealand
4 Universität Oldenburg,Postfach 2503, D-26111 Oldenburg, Germany
5 Swiss Federal Nuclear Safety Inspectorate, CH-5232 Villigen-HSK, Switzerland
6 I.U.S.T.I., TechnopoleChateau-Gombert, 5 rue Enrico Fermi, 13453 Marseille cédex 13, France
7 1713 States Street, Prescott, AZ 86301-5541, USA
8 CEA Saclay DEN/DPC/SECR/LSRM, bât. 391, F-91191 Gif-sur-Yvette, France
9 Geoscience Australia, GPO Box 378, Canberra, ACT, 2601, Australia
10 Gesellschaft für Anlagen- und Reaktorsicherheit (GRS) mbH Theodor-Heuss-Strasse 4, 38122 Braunschweig, Germany

References

  • 1. <www.unileoben.ac.at/~IUPAC/welcome.html>.
  • 2. Chem. Int. 26, No. 2 (2004).
  • 3. <www.nea.fr/html/dbtdb>.
  • 4. J. D. Cox, D. D. Wagman, V. A. Medvedev. CODATA Key Values for Thermodynamics, Hemisphere, New York (1989).
  • 5. M. W. Chase. J. Phys. Chem. Ref. Data, Monograph No. 9, NIST-JANAF Thermochemical Tables, 4th ed., ACS, AIP, NIST (1998).
  • 6. I. Barin. Thermochemical Data of Pure Substances, VCH, Weinheim (1989)
  • 7. V. P. Glushko, V. A. Medvedev, L. V. Gurvich (Ed.). Thermal Constants of Substances, Wiley-VCH, Weinheim (1999).
  • 8. K. S. Pitzer. In Activity Coefficients in Electrolyte Solutions, 2nd ed., K. S. Pitzer (Ed.), pp. 75-153, CRC Press, Boca Raton (1991).
  • 9. I. Grenthe, I. Puigdomenech. Modelling in Aquatic Chemistry, Organization for Economic Cooperation and Development, Paris (1997).
  • 10. D. S. Abrams, J. M. Prausnitz. AIChE J. 21 116 (1975). (http://dx.doi.org/10.1002/aic.690210115)
  • 11. A. Fredenslund. Fluid Phase Equilib. 52, 135 (1989). (http://dx.doi.org/10.1016/0378-3812(89)80320-6)
  • 12. H. C. Helgeson, D. H. Kirkham, G. C. Flowers. Am. J. Sci. 281, 1249 (1981).
  • 13. M. C. Iliuta, K. Thomsen, P. Rasmussen. AIChE J. 48, 2664 (2002). (http://dx.doi.org/10.1002/aic.690481125)
  • 14. K. Thomsen, P. Rasmussen, R. Gani. Chem. Eng. Sci. 51, 3675 (1996). (http://dx.doi.org/10.1016/0009-2509(95)00418-1)
  • 15. H. Wanner, I. Forest (Eds.). Chemical Thermodynamics of Uranium, North-Holland, Amsterdam (1992).
  • 16. R. J. Silva (Ed.). Chemical Thermodynamics of Americium, North-Holland, Amsterdam (1995).
  • 17. M. C. A. Sandino, E. Osthols (Eds.). Chemical Thermodynamics of Technetium, North-Holland, Amsterdam (1999).
  • 18. OECD Nuclear Agency (Ed.). Chemical Thermodynamics of Neptunium and Plutonium, North-Holland, Amsterdam (2001).
  • 19. OECD Nuclear Agency (Ed.). Update of Chemical Thermodynamics of Uranium, Neptunium, Plutonium, Americium and Technetium, North-Holland, Amsterdam (2003).
  • 20. F. J. Mompean, M. Illemassene, J. Perrone (Eds.). Chemical Thermodynamics of Nickel, Elsevier, Amsterdam (2005).
  • 21. F. J. Mompean, M. Illemassene, J. Perrone (Eds.). Chemical Thermodynamics of Selenium, Elsevier, Amsterdam (2005).
  • 22. F. J. Mompean, M. Illemassene, J. Perrone (Eds.). Chemical Thermodynamics of Zirconium, Elsevier, Amsterdam (2005).
  • 23. OECD Nuclear Agency (Ed.). Chemical Thermodynamics of Compounds and Complexes of U, Np, Pu, Am, Tc, Se, Ni and Zr with Selected Organic Ligands, North-Holland, Amsterdam (2005).
  • 24. M. Alai, M. Sutton, S. Carroll. Geochem. Trans. 6, 31 (2005). (http://dx.doi.org/10.1186/1467-4866-6-31)
  • 25. T. Wolery, C. Jove-Colon, J. Rard, A. Wijesinghe. A Pitzer database development: Description of the Pitzer geochemical thermodynamic database data0.ypf. Appendix I in In-Drift Precipitates/Salts Model (P. Mariner) Report ANL-EBS-MD-000045 REV 02, Las Vegas, Nevada, Bechtel SAIC Company (2004).
  • 26. J. Kiepe, O. Noll, J. Gmehling. Ind. Eng. Chem. Res. 45, 2361 (2006). (http://dx.doi.org/10.1021/ie0510122)
  • 27. C. Robelin, P. Chartrand, A. D. Pelton. J. Chem. Thermodyn. 36, 809 (2004). (http://dx.doi.org/10.1016/j.jct.2004.05.005)
  • 28. W. Bale, P. Chartrand, S. A. Degterov, G. Eriksson, K. Hack, M. R. Ben, J. Melancon, A. D. Pelton, S. Petersen. CALPHAD 26, 189 (2002). (http://dx.doi.org/10.1016/S0364-5916(02)00035-4)
  • 29. R. Chirico, M. Frenkel, V. V. Diky, Q. Dong, K. N. Marsh, J. H. Dymond, W. A. Wakeham, S. E. Stein, E. Konigsberger, A.R. H. Goodwin. Pure Appl. Chem. 78, 541 (2006). (http://dx.doi.org/10.1351/pac200678030541)
  • 30. M. Frenkel, R. D. Chirico, V. V. Diky, Q. Dong, S. Frenkel, P. R. Franchois, D. L. Embry, T. L. Teague, K. N. Marsh, R. C. Wilhoit. J. Chem. Eng. Data 48, 2 (2003). (http://dx.doi.org/10.1021/je025645o)
  • 31. R. D. Chirico, M. Frenkel, V. V. Diky, K. N. Marsh, R. C. Wilhoit. J. Chem. Eng. Data 48, 1344 (2003). (http://dx.doi.org/10.1021/je034088i)
  • 32. M. Frenkel, R. D. Chirico, V. V. Diky, K. N. Marsh, J. H. Dymond, W. A. Wakeham. J. Chem. Eng. Data 48, 381 (2004). (http://dx.doi.org/10.1021/je049890e)
  • 33. V. V. Diky, R. D. Chirico, R. C. Wilhoit, Q. Dong, M. Frenkel. J. Chem. Inf. Comput. Sci. 43, 15 (2003). (http://dx.doi.org/10.1021/ci025534t)