Thermodynamic data provided through the FUNMIG project: Analyses and prospective

Applied Geochemistry

Volumn 27, Issue 2, 2012, Pages 414-426

  Reiller, Pascal E ^a   Vercouter, Thomas ^a   Duro, Lara ^b   Ekberg, Christian ^c  

^a DIF   (France)

^b Amphos 21 ^*  (Spain)

^c CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

INTEGRATED PROJECT; LATEST DEVELOPMENT; RADIONUCLIDE MIGRATION; THERMODYNAMIC DATA;

AMERICIUM; RADIOACTIVE WASTES; RARE EARTH ELEMENTS; SILICATES; THERMOANALYSIS; WASTE MANAGEMENT;

THERMODYNAMICS;

AQUEOUS SOLUTION; DATA SET; INORGANIC SALT; INTEGRATED APPROACH; RADIOACTIVE WASTE; RADIONUCLIDE; THERMODYNAMICS; THORIUM; WASTE MANAGEMENT;

EID: 84855591128     PISSN: 08832927     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apgeochem.2011.09.011     Document Type: Article

References (77)

1. 2 solution. Radiochim. Acta 2004, 92:537-543.
2. ANDRA Dossier 2005 - Argile. Tome Architecture et gestion du stockage 2005, ANDRA, Chatenay Malabry, France.
3. ANDRA Dossier 2005 - Argile. Tome évolution phénoménologique du stockage géologique 2005, ANDRA, Chatenay Malabry, France.
4. Bailey A.R., Larson J.W. Heats of dilution and thermodynamics of dissociation of uranyl and vanadyl sulfates. J. Phys. Chem. 1971, 75:2368-2372.
5. Beaucaire C., Michelot J.L., Savoye S., Cabrera J. Groundwater characterisation and modelling of water-rock interaction in an argillaceous formation (Tournemire, France). Appl. Geochem. 2008, 23:2182-2197.
6. Bion L. BASSIST: an applied thermodynamic database for radionuclide chemistry. Radiochim. Acta 2003, 91:633-638.
7. Bion L., Ansoborlo E., Moulin V., Reiller P., Collins R., Gilbin R., Février L., Perrier T., Denison F., Cote G. Influence of thermodynamic database on the modelisation of americium (III) speciation in a simulated biological medium. Radiochim. Acta 2005, 93:715-718.
8. Blanc, P., Gailhanou, H., 2007. Thermochimie: Estimation des entropies, capacités calorifiques et volumes molaires des phyllosilicates deshydratés et hydratés. Rapport final. Report BRGM/RP-55966-FR, Orléans, France. http://www.thermoddem.brgm.fr.
9. Brown P., Curti E., Grambow B., Ekberg C. Chemical Thermodynamics. Chemical Thermodynamics of Zirconium 2005, vol. 8. North Holland Elsevier Science Publishers B.V., Amsterdam, The Netherlands.
10. Bussian P., Sobott F., Brutschy B., Schrader W., Schuth F. Speciation in solution: silicate oligomers in aqueous solutions detected by mass spectrometry. Angew. Chem. Int. Edit. 2000, 39:3901-3905.
11. Ciavatta L., De Tommaso G., Iuliano M. On the complex formation equilibria between dioxouranium(VI) and sulfate ions. Ann. Chim. - Rome 2003, 93:269-279.
12. de Craen M., Wang L., van Geet M., Moors H. Geochemistry of Boom Clay pore water at the Mol site. Report SCK•CEN-BLG-990 2004, SCK•CEN, Mol, Belgium.
13. Degueldre C., Scholtis A., Laube A., Turrero M.J., Thomas B. Study of the pore water chemistry through an argillaceous formation: a paleohydrochemical approach. Appl. Geochem. 2003, 18:55-73.
14. Denison F.H., Garnier-LaPlace J. The effects of database parameter uncertainty on uranium(VI) equilibrium calculations. Geochim. Cosmochim. Acta 2005, 69:2183-2191.
15. Duro L., Grivé M., Cera E., Domènec C., Bruno J. Update of a Thermodynamic Data-base for Radionuclides to Assist Solubility Limits Calculation for Performance Assessment. Report SKB TR-06-17 2006, SKB, Stockholm, Sweden, http://www.skb.se/upload/publications/pdf/TR-06-17webb.pdf.
16. Eggers K., Eichner T., Woenckhaus J. Mass spectrometric investigation of small silicate polyhedra in solution. Int. J. Mass Spectrom. 2005, 244:72-75.
17. Ekberg C. Sensitivity Analysis and Simulation Uncertainties in Predictive Geochemical Modelling. Report 1999, Freiberg Online Geoscience, Freiberg, Germany, http://www.geo.tu-freiberg.de/fog/FOG_Vol_2.pdf.
18. Ekberg C., Knutsson A., Albinsson Y., Brown P. Complexation of thorium with phosphate. Radiochim. Acta 2010, 99:31-35.
19. Ekberg, C., Persson, I., Knutsson, A., Svensson, G., Larsson, K., 2011. On the formation and structure of thorium(IV) phosphate gels. Unpublished work.
20. Fanghänel T., Weger H.T., Könnecke T., Neck V., Paviet-Hartmann P., Steinle E., Kim J.I. Thermodynamics of Cm(III) in concentrated electrolyte solutions. Carbonate complexation at constant ionic strength (1mNaCl). Radiochim. Acta 1998, 82:47-53.
21. Fanghänel T., Könnecke T., Weger H., Paviet-Hartmann P., Neck V., Kim J.I. Thermodynamics of Cm(III) in concentrated salt solutions: carbonate complexation in NaCl solution at 25°C. J. Sol. Chem. 1999, 28:447-462.
22. Faucherre J., Fromage F., Gobron R. Préparation à l'état solide et structure en solution des carbonates complexes des lanthanides. Rev. Chim. Mineral. 1966, 3:953-991.
23. Ferri D., Grenthe I., Hietanen S., Salvatore F. Studies on metal carbonate equilibria. 5. The cerium(III) carbonate complexes in aqueous perchlorate media. Acta Chem. Scand. A 1983, 37:359-365.
24. Fourest B., Lagarde G., Perrone J., Brandel V., Dacheux N., Genet M. Solubility of thorium phosphate-diphosphate. New J. Chem. 1999, 23:645-649.
25. Gamsjäger H., Bugajski J., Gajda T., Lemire R.J., Preis W. Chemical Thermodynamics. Chemical Thermodynamics of Nickel 2005, vol. 6. North Holland Elsevier Science Publishers B.V., Amsterdam, The Netherlands.
26. Gaucher E.C., Altmann S., Blanc P., Bardot F., Jacquot E., Lassin A., Tournassat C., Braibant G., Crouzet C., Gautier A., Negrel G. Modelling the porewater chemistry of the Callovian-Oxfordian formation at a regional scale. C.R. Géosci. 2006, 338:917-930.
27. Gaucher E.C., Tournassat C., Pearson F.J., Blanc P., Crouzet C., Lerouge C., Altmann S. A robust model for pore-water chemistry of clayrock. Geochim. Cosmochim. Acta 2009, 73:6470.
28. Geipel G., Brachmann A., Brendler V., Bernhard G., Nitsche H. Uranium(VI) sulfate complexation studied by time-resolved laser-induced fluorescence spectroscopy (TRLFS). Radiochim. Acta 1996, 75:199-204.
29. Giffaut, E., 1994. Influence des ions chlorures sur la chimie des actinides, Influence de la radiolyse et de la température. PhD thesis, Paris Sud. Orsay, France.
30. Grenthe I., Puigdomènech I. Modelling in Aquatic Chemistry 1997, Nuclear Energy Agency, OECD, Paris, France.
31. Grenthe I., Fuger L., Konings R.G.M., Lemire R.J., Muller A.B., Nguyen-Trung C., Wanner H. Chemical Thermodynamics. Chemical Thermodynamics of Uranium 1992, vol. 1. North Holland Elsevier Science Publishers B.V., Amsterdam, The Netherlands.
32. Guillaumont R., Fanghänel T., Fuger J., Grenthe I., Neck V., Palmer D.A., Rand M. Chemical Thermodynamics. Update on the Chemical Thermodynamics of Uranium, Neptunium, Plutonium, Americium and Technetium 2003, vol. 5. North Holland Elsevier Science Publishers B.V., Amsterdam, The Netherlands.
33. o in the range of 0 to 350°C at Psat. Geochim. Cosmochim. Acta 2000, 64:2295-2307.
34. Hummel W., Berner U., Curti E., Pearson F.J., Thoenen T. NAGRA/PSI Chemical Thermodynamic Data Base 01/01. Report NTB 02-06 2002, NAGRA, Parkland, FL, USA.
35. Hummel W., Anderegg G., Rao L.F., Puigdomènech I., Tochiyama O. Chemical Thermodynamics. Chemical Thermodynamics of Compounds and Complexes of U, Np, Pu, Am, Tc, Se, Ni and Zr with Selected Organic Ligands 2005, vol. 9. North Holland Elsevier Science Publishers B.V., Amsterdam, The Netherlands.
36. Jensen M.P., Choppin G.R. Complexation of europium(III) by aqueous orthosilicic acid. Radiochim. Acta 1996, 72:143-150.
37. Kimura T., Choppin G.R., Kato Y., Yoshida Z. Determination of the hydration number of Cm(III) in various aqueous solutions. Radiochim. Acta 1996, 72:61-64.
38. Kinniburgh, D.G., Copper, D.M., 2009. Creating Graphical Output with PHREEQC. Report. http://www.phreeplot.org/PhreePlot.pdf.
39. Lemire R.J., Fuger J., Nitsche H., Potter P., Rand M., Rydberg J., Spahiu K., Sullivan J.C., Ullman W.J., Vitorge P., Wanner H. Chemical Thermodynamics. Chemical Thermodynamics of Neptunium and Plutonium 2001, vol. 4. North Holland Elsevier Science Publishers B.V., Amsterdam, The Netherlands.
40. Neck V., Fanghänel T., Kim J.I. Aquatische Chemie und Thermodynamische Modellierung von Trivalenten Actiniden. Report FZKA 6110 1998, Forshungszentrum Karlsruhe, Karlsruhe, Germany, http://bibliothek.fzk.de/zb/berichte/FZKA6110.pdf.
41. 2+x(s, hyd). Radiochim. Acta 2007, 95:193-207.
42. NIREX Radionuclide Content for a Range of Irradiated Fuels. Report 17503/74/1 Rev. 2 2002, ElectroWatt Ekono Ltd. NIREX, http://www.nda.gov.uk/documents/upload/Radionuclide-content-for-a-range-of-irradiated-fuels-Electrowatt-Ekono-Ltd-Report-to-Nirex-September-2002.pdf.
43. Olin A., Noläng B., Osadchii E.G., öhman L.O., Rosén E. Chemical Thermodynamics. Chemical Thermodynamics of Selenium 2005, vol. 7. North Holland Elsevier Science Publishers B.V., Amsterdam, The Netherlands.
44. 2 in phosphate media. Radiochim. Acta 1995, 68:185-190.
45. Panak P.J., Kim M.A., Klenze R., Kim J.I., Fanghänel T. Complexation of Cm(III) with aqueous silicic acid. Radiochim. Acta 2005, 93:133-139.
46. Pathak P.N., Choppin G.R. Thermodynamic study of metal silicate complexation in perchlorate media. Radiochim. Acta 2006, 94:81.
47. 4 solutions. Radiochim. Acta 1996, 74:99-104.
48. Pelster S.A., Schuth F., Schrader W.G. Detailed study on the use of electrospray mass spectrometry to investigate speciation in concentrated silicate solutions. Anal. Chem. 2007, 79:6005-6012.
49. Philippini V., Vercouter T., Aupiais J., Topin S., Ambard C., Chausse A., Vitorge P. Evidence of different stoichiometries for the limiting carbonate complexes across the lanthanide(III) series: a capillary electrophoresis-mass spectrometry study. Electrophoresis 2008, 29:2041-2050.
50. Philippini V., Vercouter T., Vitorge P., Chaussé A. Evidence of different stoichiometries for the limiting carbonate complexes across the lanthanide(III) series. J. Sol. Chem. 2010, 39:747-769.
51. Purvis O.W., Bailey E.H., McLean J., Kasama T., Williamson B.J. Uranium biosorption by the lichen Trapelia involuta at a uranium mine. Geomicrobiol. J. 2004, 21:159-167.
52. Quiroz N.G.A., Hung C.C., Santschi P.H. Binding of thorium(IV) to carboxylate, phosphate and sulfate functional groups from marine exopolymeric substances (EPS). Mar. Chem. 2006, 100:337-353.
53. Rand M., Fuger J., Grenthe I., Neck V., Rai D. Chemical Thermodynamics. Chemical Thermodynamics of Thorium 2009, vol. 11. OECD Publications, Paris, France.
54. Rao R.R., Chatt A. Studies on stability-constants of europium(III) carbonate complexes and application of SIT and ion-pairing models. Radiochim. Acta 1991, 54:181-188.
55. Rard J.A., Rand M., Anderegg G., Wanner H. Chemical Thermodynamics. Chemical Thermodynamics of Technecium 1999, vol. 3. North Holland Elsevier Science Publishers B.V., Amsterdam, The Netherlands.
56. Rydberg J. Solvent extraction studies by AKUFVE method.1. Principle and general problems. Acta Chem. Scand. 1969, 23:647-659.
57. Silva R.J., Bidoglio G., Rand M., Robouch P., Wanner H., Puigdomènech I. Chemical Thermodynamics. Chemical Thermodynamics of Americium with an Appendix on Chemical Thermodynamics of Uranium 1995, vol. 2. North Holland Elsevier Science Publishers B.V., Amsterdam, The Netherlands. I. Grenthe, M.C.A. Sandino, I. Puigdomènech, M.H. Rand (Eds.).
58. Steinle E., Fanghänel T., Klenze R. Komplexierung von Cm (III) mit monokieselsäure. Sammlung der Vorträge anläßlich des internen INE-Mitarbeiterseminars am 3-4 Juli 1997. Report FZKA-6036 1997, 143-152. FZK-INE, Karlsruhe, Germany. A. Loida (Ed.).
59. Stumm W., Morgan J.J. Aquatic Chemistry, Chemical Equilibria and Rates in Natural Waters 1996, Wiley, New York, NY, USA. third ed.
60. 4 and complexation with Am(III), Eu(III) and Cm(III). Inorg. Chim. Acta 2007, 360:3705-3711.
61. Tian G., Rao L. Spectrophotometric and calorimetric studies of U(VI) complexation with sulfate at (25 to 70)°C. J. Chem. Thermodyn. 2009, 41:569-574.
62. Vercouter, T., 2004. Complexes aqueux de lanthanides (III) et actinides (III) avec les ions carbonates et sulfates. Etude thermodynamique par spectrofluorimétrie Laser résolue en temps et spectrométrie de masse à ionisation électrospray. PhD thesis. Evry-Val d'Essonne. Evry, France.
63. Vercouter T., Vitorge P., Amekraz B., Giffaut E., Hubert S., Moulin C. Stabilities of the aqueous complexes Cm(CO3)33-andAm(CO3)33- in the temperature range 10-70°C. Inorg. Chem. 2005, 44:5833-5843.
64. Vercouter T., Amekraz B., Moulin C., Giffaut E., Vitorge P. Sulfate complexation of trivalent lanthanides probed by nanoelectrospray mass spectrometry and time-resolved laser-induced luminescence. Inorg. Chem. 2005, 44:7570-7581.
65. 3+ f-elements in aqueous solutions: a solubility and TRLFS study. New J. Chem. 2005, 29:544-553.
66. Vercouter T., Vitorge P., Amekraz B., Moulin C. Stoichiometries and thermodynamic stabilities for aqueous sulfate complexes of U(VI). Inorg. Chem. 2008, 47:2180-2189.
67. Vercouter T., Casanova F., Calvo A., Amekraz B., Moulin C. Influence of silicate ions on Eu(III) aqueous speciation. 4th Ann. Workshop Proc. of integrated project " Fundamental processes of Radionuclide Migration" (6th EC FP IP FUNMIG). Report FZKA 7461 2009, 263-270. Forschungszentrum Karlsruhe, Karlsruhe, Germany, http://bibliothek.fzk.de/zb/berichte/FZKA7461.pdf G. Buckau, L. Duro, B. Kienzler, V. Montoya, A. Delos (Eds.).
68. Vercouter T., Vitorge P., Amekraz B., Moulin C. Complexation constant update: carbonate and sulphate complexes of actinides and lanthanides. 4th Ann. Workshop Proceeding of integrated project " Fundamental processes of Radionuclide Migration" (6th EC FP IP FUNMIG). Report FZKA 7461 2009, 359-366. Springer Forschungszentrum Karlsruhe, Karlsruhe, Germany, http://bibliothek.fzk.de/zb/berichte/FZKA7461.pdf G. Buckau, L. Duro, B. Kienzler, V. Montoya, A. Delos (Eds.).
69. Vercouter T., Amekraz B., Moulin C. Silicate complexation of trivalent lanthanides and actinides. 4th Ann. Workshop Proc. of integrated project " Fundamental processes of Radionuclide Migration" (6th EC FP IP FUNMIG). Report FZKA 7461 2009, 367-374. Forshungszentrum Karlsruhe, Karlsruhe, Germany, http://bibliothek.fzk.de/zb/berichte/FZKA7461.pdf G. Buckau, L. Duro, B. Kienzler, V. Montoya, A. Delos (Eds.).
70. Voigt W., Brendler V., Marsh K., Rarey R., Wanner H., Gaune-Escard M., Cloke R., Vercouter T., Bastrakov E., Hagemann S. Quality assurance in thermodynamic databases for performance assessment studies in waste disposal. Pure Appl. Chem. 2007, 79:883-894.
71. Wadsak W., Hrnecek E., Irlweck K. Formation of americium(III) complexes with aqueous silicic acid. Radiochim. Acta 2000, 88:61-64.
72. Walther C. Comparison of colloid investigations by single particle analytical techniques: a case study on thorium-oxyhydroxides. Colloids Surf., A 2003, 217:81-92.
73. Wang Z.M., Felmy A.R., Xia Y.X., Buck E.C. Observation of aqueous Cm(III)/Eu(III) and UO22+ nanoparticulates at concentrations approaching solubility limit by laser-induced fluorescence spectroscopy. J. Alloys Compd. 2006, 418:166-170.
74. Wanner H. The NEA Thermochemical Data Base Project. Report TDB-0.2 1991, Nuclear Energy Agency, OECD, Issy-les-Moulineaux, France.
75. Yui M. Database development of glass dissolution and radionuclide migration for performance analysis of HLW repository in Japan. J. Nucl. Mater. 2001, 298:136-144.
76. Yun J.I., Cho H.R., Neck V., Altmaier M., Seibert A., Marquardt C.M., Walther C., Fanghänel T. Investigation of the hydrolysis of plutonium(IV) by a combination of spectroscopy and redox potential measurements. Radiochim. Acta 2007, 95:89-95.
77. Zebroski E.L., Alter H.W., Heumann F.K. Thorium complexes with chloride, fluoride, nitrate, phosphate and sulfate. J. Am. Chem. Soc. 1951, 73:5646-5650.