The Gibbs free energies and enthalpies of formation of U6+ phases: An empirical method of prediction

American Mineralogist

Volumn 84, Issue 4, 1999, Pages 650-664

  Chen, Fanrong ^a,c   Ewing, Rodney C ^a   Clark, Sue B ^b  

^a UNIVERSITY OF MICHIGAN   (United States)

^b WASHINGTON STATE UNIVERSITY   (United States)

^c GUANGZHOU INSTITUTE OF GEOCHEMISTRY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CALCIUM OXIDE; CORROSION; ENTHALPY; FREE ENERGY; NUCLEAR FUELS; OXIDE MINERALS; SILICA; URANIUM DIOXIDE;

EMPIRICAL METHOD; ENTHALPIES OF FORMATION; MULTIPLE REGRESSIONS; OXIDIZING CONDITIONS; STABILITY RELATIONS; STRUCTURAL COMPONENT; THERMODYNAMIC DATA; THERMODYNAMIC DATABASE;

GIBBS FREE ENERGY;

ENTHALPY; FORMATION MECHANISM; GIBBS FREE ENERGY; URANIUM;

EID: 0032859548     PISSN: 0003004X     EISSN: None     Source Type: Journal    
DOI: 10.2138/am-1999-0418     Document Type: Article

References (146)

1. 2O. Acta Chemica Scandinavica, A32, 101-107.
2. 2O. Journal of Chemical Society Dalton Transactions, 1982, 869-873.
3. 7 Journal of Inorganic and Nuclear Chemistry, 27, 1521-1527.
4. Alwan, A.K. and Williams, P.A. (1980) The aqueous chemistry of uranyl minerals. Part 2. Minerals of liebigile group. Mineralogical Magazine, 43, 665-667.
5. 8 American Mineralogist, 50, 825-842.
6. Atencio, D., Neumann, R., Silva, A.J.G.C., and Mascarenhas, Y.P. (1991) Phurcalite from Perus, São Paulo, Brazil and redetermination of its crystal structure. Canadian Mineralogist, 29, 95-105.
7. Baran, V. (1992) Uranium (VI)-oxygen chemistry (uranyl hydroxo complexes, uranates, oxides). Nuclear Research Institute, Rez Czechoslovakia, 135 p.
8. Barner, J.O. (1985) Characterization of LWR spent fuel MCC-approved testing material-ATM-101. Richland. WA PNL-5109, Rev.1 UC-70. Richland, WA: Pacific Northwest Laboratory.
9. 2O. Doklady Akademii Nauk SSSR, 282, 1132-1136 (in Russian).
10. 2O. Bulletin de la Société Francaise Minéralogie Cristallographie, 93, 426-432.
11. 2O. Bulletin Société Francaise Minéralogie Cristallographie, 94, 8-14.
12. 2O. Crystal Structure Communication, 2, 243-246.
13. _ (1978) β-uranyl sulphate and uranyl selenate. Acta Crystallographica, B34, 3734-3736.
14. Bruton, C.J. and Shaw, H.F. (1988) Geochemical simulation of reaction between spent fuel waste form and J-13 water at 25°C and 90°C. In M.J. Apted and R.E. Westerman, Eds., Scientific Basis for Nuclear Waste Management XI, Materials Research Society Proceedings, 112, 473-484.
15. Burns, P.C. (1998) The structure of bollwoodite and implications of solid solution toward boltwoodile. Canadian Mineralogist, 36, 1069-1075.
16. 6+ minerals and inorganic phases: A comparison and hierarchy of crystal structures. Canadian Mineralogist, 34, 845-880.
17. 6+ phases formed during the oxidation of spent nuclear fuel. Journal of Nuclear Materials, 245, 1-9.
18. Burns, P.C., Ewing, R.C., and Hawthorne, F.C. (1997b) The crystal chemistry of hexavalent uranium: Polyhedral geometries, bond-valence parameters and polymerization of polyhedral. Canadian Mineralogist, 35, 1551-1570.
19. 4+ incorporation during the oxidation of spent nuclear fuel. Journal of Nuclear Materials, 249, 199-206.
20. Casas, I., Bruno, J., Cera, E., Finch, R.J., and Ewing R.C (1997a) Characterization and dissolution of a becquerelite from Shinkolobwe, Zaire. Geochimica et Cosmochimica Acta, 61, 3879-3884.
21. Casas, I., Perez, I., Torrero, E., Bruno, J., Cera, E., and Duro, L. (1997b) Dissolution studies of synthetic soddyite and uranophane, SKB Technical Report, 97-15, 36p.
22. Cejka, J. and Urbanec, Z. (1990) Secondary Uranyl Minerals. Academia Czechoslovak Academy of Sciences, Prague, 93 p.
23. Chen, C.-H. (1975) A method of estimate Gibbs free energies of formation of silicate minerals at 298.15K. American Journal of Science, 275, 801-817.
24. 1) of silicate minerals at 298K from the sum of polyhedral contributions. American Mineralogist, 74, 1023-1031.
25. 3. Science, 121, 472-473.
26. 2O system. Journal of Alloys and Compounds, 271, 189-193.
27. Cremers, T.L., Eller, P.G., Larson, E.M., and Rosenzweig, A. (1986) Single-crystal structure of lead uranate (VI). Acta Crystallographica, C42, 1684-1685.
28. Dalley, N.K., Mueller, M.H., and Simonsen, S.H. (1971) A neutron diffraction study of tranyl nitrate dihydrate. Inorganic Chemistry, 10, 323-328.
29. 3 Acta Crystallographica, B24, 400-402.
30. Deliens, M., Piret, P., and Comblain, G. (1981) Les Minéraux secondaires d'Uranium du Zaire. Musée Royale de l'Afrique Centrale. Tervuren, 113 p.
31. 2O. Acta Crystallographica, C48, 1-4.
32. 2O. Acta Crystallographica, B47, 439-446.
33. 5. Journal of Material Chemistry, 2, 161-166.
34. Evans, H.T. Jr. (1963) Uranyl ion coordination. Science, 141, 154-157.
35. Finch, R.J. (1994) Paragenesis and crystal chemistry of the uranyl oxide hydrates. Ph.D. thesis, 261 p. University of New Mexico.
36. _ (1997) Thermodynamic stabilities of U(VI) minerals: Estimated and observed relationships. In W.J. Gray and I.R. Triay , Eds., Scientific Basis for Nuclear Waste Management XX, Materials Research Society Proceedings, 465, 1185-1192.
37. 12. Canadian Mineralogist, 34, 1071-1088.
38. 2 under oxidizing conditions from Shinkolobwe, Katanga, Zaire: A natural analogue for the corrosion of spent fuel. Radiochimica Acta, 52/53, 395-401.
39. _ (1992) The corrosion of uraninite under oxidizing conditions. Journal of Nuclear Materials, 190, 133-156.
40. 2O refined from neutron and synchrotron radiation powder diffraction data. Materials Research Bulletin, 26, 407-414.
41. Freeze, R.A. and Cherry, A.J. (1979) Groundwater, p. 254-289. Prentice-Hall, Inc. Englewood Cliffs, New Jersey.
42. Frondel, C. (1958) Systematic Mineralogy of Uranium and Thorium. U.S. Geological Survey Bulletin 1064, Washington, D.C., U.S. Government Printing Office, 400 p.
43. Garrels, R.M. and Christ, C.L. (1959) Behavior of uranium minerals during oxidation. U.S. Geological Survey Professional Paper, 320 (part 1), 2-13.
44. Garrels, R.M. and Weeks, A.D. (1959) Geological selling of the Colorado Plateau ores. U.S. Geological Survey Professional Paper, 320 (part 6), 81-90.
45. 6. Acta Crystallographica, C43, 404-406.
46. 10. Acta Crystallographica, C43, 1247-1250.
47. 7. Acta Crystallographica, C43, 2264-2266.
48. 5 Acta Crystallographica, C44, 415-416.
49. 5 Acta Crystallographica, C46, 372-374.
50. Gebert, E., Hoekstra, H.R., Reis, A.H., and Peterson, S.W. (1978) The crystal structure of lithium uranate. Journal of Inorganic and Nuclear Chemistry, 40, 65-68.
51. 2O. Acta Crystallographica, C44, 421-424.
52. Grenthe, I., Fuger, J, Konings, R.J.M, Lemire, R.J., Muller, A.B., Nguyen-Trung, C., and Wanner, H. (1992) Chemical Thermodynamics of Uranium, 713 p. North-Holland, Amsterdam.
53. 2O. Czechoslovak Journal of Physics, 10, 169-181.
54. Hazen, R.M. (1985) Comparative crystal chemistry and the polyhedral approach. In Mineralogical Society of America Reviews in Mineralogy, 14, 317-345.
55. _ (1988) A useful fiction: Polyhedral modelling of mineral properties. American Journal of Science, 288-A, 242-269.
56. Hemingway, B.S. (1982) Thermodynamic properties of selected uranium compounds and aqueous species at 298.15K and 1 bar and at higher temperatures-preliminary model for the origin of coffinite deposits. U.S. Geological survey open-file report 82, 619, 90 p.
57. 2O at 298.15K and 1 bar pressure and at high temperatures. U.S. Geological Survey Bulletin 1544, 70p.
58. Hoekstra, H.R. and Siegel, S. (1973) The uranium trioxide-water system. Journal of Inorganic and Nuclear Chemistry, 35, 761-779.
59. Johnson, L.H. and Shoesmith, D.W. (1988) Spent fuel. In W. Lutze and R.C. Ewing, Eds. Radioactive Waste Forms for the Future, p. 635-698. North-Holland, Amsterdam.
60. Johnson, L.H. and Werme, L.O. (1994) Materials characteristics and dissolution behavior of spent nuclear fuel. Materials Research Society (MRS) Bulletin, 19(2), 24-27.
61. Karpov, I.K. and Kashik, S.A. (1968) Computer calculation of standard isobaric-isothermal potentials of silicates by multiple regression from a crystallochemical classification. Geochemistry International, 5, 706-713.
62. 2O. Tschermaks Mineralogische und Petrographische Mitteilungen, 29, 193-204.
63. _ (1982b) On the space group of threadgoldite. Tschermaks Mineralogische und Petrographische Mitteilungen, 30, 111-115.
64. Kovba, L.M. (1971) The crystal structure of potassium and sodium monouranates. Radiokhimiya, 13, 309-331 (in Russia).
65. 22. Journal of Structural Chemistry, 13, 235-238.
66. Kovba, L.M., Ippolitova, E.A., Simanov, Yu. P., and Spitsyn, V.I. (1958) The X-ray investigation of uranates of alkali elements. Doklady Akademii Nauk SSSR, 242, 1083-1085 (in Russian).
67. Langmuir, D. (1978) Uranium solution-mineral equilibria at low temperatures with applications to sedimentary ore deposits. Geochimica et Cosmochimica Acta, 42, 547-569.
68. 16. Journal of Solid State Chemistry, 67, 364-368.
69. 3 crystals. Doklady Akademii Nauk SSSR, 242, 1083-1085 (in Russian).
70. 2. Zhurnal Neoganicheskoi Khimii, 25, 1992-1994 (in Russian).
71. 7. Zhumal Neoganicheskoi Khimii, 29, 1533-1537 (in Russian).
72. 3. Recueil des Travaux Chimiques des Pay-Bas et de la Belgique RTCPA, 85, 135-142.
73. Loopstra, B.O. and Rietveld, H.M. (1969) The structure of some alkaline-earth metal uranates. Acta Crystallographica, B25, 787-791.
74. Loopstra, B.O., Taylor, J.C., and Waugh, A.B. (1977) Neutron powder profile studies of the gamma uranium trioxide phases. Journal of Solid State Chemistry, 20, 9-19.
75. 2O. Geochemistry, 14-21.
76. 2O. Doklady Academy of Sciences SSSR. Earth Science Section, 132, 601-603.
77. 1.298 15) of smectites. Geochimica et Cosmochimica Acta, 42, 1753-1762.
78. 2O: thermochemistry, crystallography and crystal structure. Tschermaks Mineralogische und Petrographische Mitteilungen, 35, 133-146.
79. th Anniversary Volume), 464-533.
80. 2O. Tschermaks Mineralogische und Petrographische Mitteilungen, 30, 129-139.
81. 2O: crystallography and crystal structure. Neues Jahrbuch für Mineralogie-Monatshefte, 1986, 481-492.
82. _ (1986b) Neue kristallographische Daten ueher das Uranmineral Andersonit. Anzeiger der Oesterreichischen Akademie der Wissenschaften, Mathematisch-Naturwissenschaftliche Klasse OSAWA, 3, 39-41.
83. _ (1986c) Structure of strontium tricarbonato-dioxouranate(VI) octahydrate. Acta Crystallographica, C42, 1678-1681.
84. 2O. Neues Jahrbuch für Mineralogie-Monatshefte, 1986, 552-560.
85. Mereiter, K. (1988) Structure of caesium tricarbonato-dioxouranate(VI) hexahydrate. Acta Crystallographica, C44, 1175-1178.
86. 2O. Zeitschrift für Kristallographie, 177, 247-253.
87. 2O in aqueous system. Radiochimica Acta, 74, 3-7.
88. Morosin, B. (1978) Hydrogen uranyl tetrahydrate, a hydrogen ion solid electrolyte. Acta Crystallographica, B34, 3732-3734.
89. Murphy, W.M. and Pabalan, R.T. (1995) Review of empirical thermodynamic data for uranyl silicate minerals and experimental plan. Center for Nuclear Waste Regulation Analyses, San Antonio, Texas, CNWRA 95-014, 43 p.
90. Nguyen, S.N., Silva, R.J., Weed, H.C., and Andrews J.E. Jr. (1992) Standard Gibbs free energies of formation at temperature 303.15K of four uranyl silicates: soddyite, uranophane, sodium boltwoodite, and sodium weeksite. Journal of Chemical Thermodynamics, 24, 259-276.
91. 2O. Acta Chemica Scandinavica, A33, 621-624.
92. Nriagu, J.O. (1975) Thermodynamical approximations for clay minerals. American Mineralogist, 60, 834-839.
93. Overshy, V.M. (1994) Nuclear waste materials. In B.R.T. Frost, Eds., Nuclear Materials, Vol. 10B, Material Science and Technology. A comprehensive treatment, VCH, Weinheim, Germany, 392-442.
94. Pagoaga, M.K., Appleman, D.E., and Stewart, J.M. (1987) Crystal structure and crystal chemistry of the uranyl oxide hydrates becquerelite, billielite, and protasite. American Mineralogist, 72, 1230-1238.
95. Pearcy, E.C., Prikryl, J.D., Murphy, W.M., and Leslie, B.W. (1994) Alteration of uraninite from the Nopal I deposit, Peña Bianca district, Chihuahua, Mexico, compared to degradation of spent nuclear fuel in the proposed U.S. high-level nuclear waste repository at Yucca Mountain, Nevada. Applied Geochemistry, 9, 713-732.
96. Perrin, A. (1976) Structure cristalline du nitrate de dihydroxo diuranyle tetrahydrate. Acta Crystallographica, B32, 1658-1661.
97. 2O. Bulletin de Minéralogie, 108, 659-665.
98. 27O: Un example de made mimétique. Bulletin de Minéralogie, 106, 383-389.
99. 2O. Nouveau minéral propriétés et structure cristalline. Bulletin de Minéralogie, 110, 443-449.
100. Piret, P. and Wauters-Stoop, D. (1980) Structure cristalline de la sengiérite. Bulletin de Minéralogie, 103, 176-178.
101. Piret, P., Piret-Meunier, J.. and Declereq, J.-P. (1979) Structure of phuralumite. Acta Crystallographica, B35, 1880-1882.
102. 2O: Nouveau minéral propriétés et structure cristalline. Bulletin de Minéralogie, 106, 299-304.
103. Reis, A.H. Jr., Hoekstra, H.R., Geben, E., and Peterson, S.W. (1976) Redetermination of the crystal structure of barium uranate. Journal of Inorganic and Nuclear Chemistry, 38, 1481-1485.
104. 5. Journal of Structural Chemistry, 7, 589-590.
105. 2O. American Mineralogist, 60, 448-453.
106. 2O. Crystal Structure Communication, 6, 617-621.
107. 3. Journal of Inorganic and Nuclear Chemistry, 15, 338-351.
108. 2O. American Mineralogist, 49, 1578-1602.
109. 2O. Crystal Structure Communication, 6, 611-615.
110. 3] monoclinique. Journal of Less-Common Metals, 154, 361-365.
111. 2O system: Transformation of schoepite into becquerelite and compreignacite. Radiochimica Acta, 66/67, 37-43.
112. Serezhkin, V.A., Chuvaev, V.F., Kovba, L.M., and Trunov, V.K. (1973) The structure of synthetic iriginite. Doklady Akademii Nauk SSSR, 210, 873-876 (in Russian).
113. 2O. Kristallografiya, 25, 861-865 (in Russian).
114. 2O. Journal of Structural Chemistry, 22, 454-457.
115. Shoemaker, E.M. (1956) Occurrence of uranium in diatremes on the Navajo and Hopi Reservations, Arizona, New Mexico, and Utah. U.S. Geological Survey Professional Paper 300, 179-185.
116. 2) dissolution rates under waste-disposal conditions. Journal of Nuclear Materials, 190, 20-35.
117. 2. Acta Crystallographica, B28, 3469-3473.
118. Smith, D.K. (1984) Uranium mineralogy. In. F. Ippolito, B. DeVero, and G. Capaldi, Eds., Uranium Geochemistry, Mineralogy, Geology Exploration and Resources. 43-88. Institute of Mining and Metallurgy, London.
119. Sposito, G. (1986) The polymer model of thermodynamical clay mineral stability. Clays and Clay minerals, 34, 198-203.
120. Stergiou A.C., Rentzeperis, P.J., and Sklavounos, S. (1993) Refinement of crystal structure of metatorbernite. Zeitschrift für Kristallographie, 205, 1-7.
121. Stohl, F.V. and Smith, D.K. (1981) The crystal chemistry of the uranyl silicate minerals. American Mineralogist, 66, 610-625.
122. Sunder, S., Shoesmith, D.W., Kolar, M., and Leneveu, D.M. (1998) From laboratory experiments to geological disposal vault: Calculation of used nuclear fuel dissolution rates. In I.G. McKinley and C. McCombie, Eds., Scientific Basis for Nuclear Waste Management XXI, Materials Research Society Proceedings, 506, 273-280.
123. 8 (m=Mg, Zn). Koordinatsionnaya Khimiya, 9, 1568-1571 (in Russian).
124. 2O. Koordinatsionnaya Khimiya, 10, 854-857 (in Russian).
125. 2O. Koordinatsionnaya Khimiya, 9, 558-562 (in Russian).
126. Tardy, Y. and Garrels, R.M. (1974) A method of estimating the Gibbs free energies of formation of layer silicates. Geochimica et Cosmochimica Acta, 38, 1101-1116.
127. _ (1976) Prediction of Gibbs free energies of formation-I. Relationships among Gibbs free energies of formation of hydroxides, oxides and aqueous ions. Geochimica et Cosmochimica Acta, 40, 1051-1056.
128. _ (1977) Prediction of Gibbs free energies of formation-II. Monovalent and divalent metal silicates. Geochimica et Cosmochimica Acta, 41, 87-92.
129. Taylor, J.C. (1971) The structure of α-form uranyl hydroxide. Acta Crystallographica, B27, 1088-1091.
130. Taylor, J.C. and Bannister, M.J. (1972) A neutron diffraction study of the anisotropic thermal expansion of β-uranyl dihidroxide. Acta Crystallographica, B28, 2995-2999.
131. Taylor, J.C. and Mueller, M.H. (1965) A neutron diffraction study of uranyl nitrate hexahydrate. Acta Crystallographica, 19, 536-543.
132. Taylor, J.C., Stuart, W.I., and Mumme, I.A. (1981) The crystal structure of curite. Journal of Inorganic and Nuclear Chemistry, 43, 2419-2423.
133. 2O. Crystal Structure Communication, 3, 377-380.
134. 46. Journal of Inorganic and Nuclear Chemistry, 38, 1649-16517
135. Van Egmond, A.B. and Cordfunke, E.H.P. (1976) Investigation on potassium and rubidium uranates. Journal of Inorganic and Nuclear Chemistry, 38, 2245-2247.
136. Van Genderen, L.C.G. and Van Der Weijden, C.H. (1984) Prediction of Gibbs free energies of formation and stability constants of some secondary uranium minerals containing the uranyl group. Uranium, 1, 249-256.
137. Vieillard, P. and Tardy, Y. (1988) Estimation on enthalpies of formation of minerals based on their refined crystal structures. American Journal of Science, 288, 997-1040.
138. 3OH)·5HO. American Mineralogist, 71, 1489-1493.
139. Vochten, E.M. and Van Haverbeke, L. (1990) Transformation of schoepite into the uranyl oxide hydrates: becquerelite, billietite and wolsendorfite. Mineralogy and Petrology, 43, 65-72.
140. Vochten, R., Van Haverbeke, L., Van Springer, K., Blaton, N., and Peeters, O.M. (1995) The structure and physicochemical characteristic of synthetic zippeite. Canadian Mineralogist, 33, 1091-1101.
141. Weeks, A.D. and Thompson, M.E. (1954) Identification and occurrence of uranium and vanadium minerals from the Colorado Plateau: U.S. Geological Survey Bulletin, 1009-B, 13-62.
142. Wilson, C.N. (1988) Summary of results from the series 2 and series 3 NNWAI bare fuel dissolution test. In M.J. Apted and R.E. Westerman, Eds., Scientific Basis for Nuclear Waste Management XX. Materials Research Society Proceeding, 112, 473-484.
143. 5. Revue de Chimie Minérale, 23, 828-848.
144. 2 at 90°C. Journal of Nuclear Materials, 190, 107-127.
145. Zachariasen, W.H. (1954) Crystal structure studies of the 5f-series of elements. XXI. The crystal structure of magnesium orthouranate. Acta Crystallographica, 7, 788-791.
146. Zalkin, A., Templeton, L.K., and Templelon, D.H. (1989) Structure of rubidium uranyl(VI) trinitrate. Acta Crystallographica, C45, 810-811.