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Volumn 75, Issue 22, 2011, Pages 7277-7290

Heterogeneous reduction of U6+ by structural Fe2+ from theory and experiment

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL; ELECTRON MICROSCOPY; EXPERIMENTAL STUDY; HETEROGENEOUS MEDIUM; IRON; MAGNETITE; MOLECULAR ANALYSIS; NUMERICAL METHOD; REDUCTION; THERMODYNAMICS; URANIUM; X-RAY SPECTROSCOPY;

EID: 80055040842     PISSN: 00167037     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.gca.2011.08.006     Document Type: Article
Times cited : (69)

References (79)
  • 2
    • 0033566022 scopus 로고    scopus 로고
    • Spectroscopic confirmation of uranium(VI)-carbonato adsorption complexes on hematite
    • Bargar J.R., Reitmeyer R., Davis J.A. Spectroscopic confirmation of uranium(VI)-carbonato adsorption complexes on hematite. Environ. Sci. Technol. 1999, 33(14):2481-2484.
    • (1999) Environ. Sci. Technol. , vol.33 , Issue.14 , pp. 2481-2484
    • Bargar, J.R.1    Reitmeyer, R.2    Davis, J.A.3
  • 5
    • 79951665528 scopus 로고    scopus 로고
    • Effect of amorphous Fe(III) oxide transformation on the Fe(II)-mediated reduction of U(VI)
    • Boland D.D., Collins R.N., Payne T.E., Waite T.D. Effect of amorphous Fe(III) oxide transformation on the Fe(II)-mediated reduction of U(VI). Environ. Sci. Technol. 2011, 45:1327-1333.
    • (2011) Environ. Sci. Technol. , vol.45 , pp. 1327-1333
    • Boland, D.D.1    Collins, R.N.2    Payne, T.E.3    Waite, T.D.4
  • 6
    • 34047135015 scopus 로고    scopus 로고
    • Adsorption of Fe(II) and U(VI) to carboxyl-functionalized microspheres: The influence of speciation on uranyl reduction studied by titration and XAFS
    • Boyanov M.I., O'Loughlin E.J., Roden E.E., Fein J.B., Kemner K.M. Adsorption of Fe(II) and U(VI) to carboxyl-functionalized microspheres: The influence of speciation on uranyl reduction studied by titration and XAFS. Geochim. Cosmochim. Acta 2007, 71:1898-1912.
    • (2007) Geochim. Cosmochim. Acta , vol.71 , pp. 1898-1912
    • Boyanov, M.I.1    O'Loughlin, E.J.2    Roden, E.E.3    Fein, J.B.4    Kemner, K.M.5
  • 7
    • 34248644595 scopus 로고    scopus 로고
    • Spent nuclear fuel
    • Bruno J., Ewing R.C. Spent nuclear fuel. Elements 2006, 2(6):343-349.
    • (2006) Elements , vol.2 , Issue.6 , pp. 343-349
    • Bruno, J.1    Ewing, R.C.2
  • 9
    • 0033378279 scopus 로고    scopus 로고
    • Wyartite: crystallographic evidence for the first pentavalent-uranium mineral
    • Burns P.C., Finch R.J. Wyartite: crystallographic evidence for the first pentavalent-uranium mineral. Am. Mineral. 1999, 84(9):1456-1460.
    • (1999) Am. Mineral. , vol.84 , Issue.9 , pp. 1456-1460
    • Burns, P.C.1    Finch, R.J.2
  • 10
    • 33750542355 scopus 로고    scopus 로고
    • The crystal chemistry of uranium
    • Mineralogical Society of America and the Geochemical Society, Chantilly, VA, R. Finch, P.C. Burns (Eds.)
    • Burns P.C. The crystal chemistry of uranium. Uranium: Mineralogy, Geochemistry, and the Environment. Reviews in Mineralogy and Geochemistry 1999, Mineralogical Society of America and the Geochemical Society, Chantilly, VA, 38, pp. 23-86. R. Finch, P.C. Burns (Eds.).
    • (1999) Uranium: Mineralogy, Geochemistry, and the Environment. Reviews in Mineralogy and Geochemistry , vol.38 , pp. 23-86
    • Burns, P.C.1
  • 17
    • 0037107881 scopus 로고    scopus 로고
    • Uranium co-precipitation with iron oxide minerals
    • Duff M.C., Coughlin J.U., Hunter D.B. Uranium co-precipitation with iron oxide minerals. Geochim. Cosmochim. Acta 2002, 66(20):3533-3547.
    • (2002) Geochim. Cosmochim. Acta , vol.66 , Issue.20 , pp. 3533-3547
    • Duff, M.C.1    Coughlin, J.U.2    Hunter, D.B.3
  • 18
    • 42149132639 scopus 로고    scopus 로고
    • Study of the interaction between U(VI) and the anoxic corrosion products of carbon steel
    • Duro L., El Aamrani S., Rovira M., de Pablo J., Bruno J. Study of the interaction between U(VI) and the anoxic corrosion products of carbon steel. Appl. Geochem. 2008, 23:1094-1100.
    • (2008) Appl. Geochem. , vol.23 , pp. 1094-1100
    • Duro, L.1    El Aamrani, S.2    Rovira, M.3    de Pablo, J.4    Bruno, J.5
  • 19
    • 80055062553 scopus 로고    scopus 로고
    • Experimental and modeling study of the interaction between uranium(IV) and magnetite. Technical Report TR-99-21, SKB.
    • El Aamrani F., Casas I., de Pablo J., Duro L., Grivé M. and Bruno J. (1999) Experimental and modeling study of the interaction between uranium(IV) and magnetite. Technical Report TR-99-21, SKB, 7-30.
    • (1999) , pp. 7-30
    • El Aamrani, F.1    Casas, I.2    de Pablo, J.3    Duro, L.4    Grivé, M.5    Bruno, J.6
  • 23
    • 0000046536 scopus 로고
    • The structure of magnetite
    • Fleet M.E. The structure of magnetite. Acta Cryst. 1981, B37:917-920.
    • (1981) Acta Cryst. , vol.37 B , pp. 917-920
    • Fleet, M.E.1
  • 25
    • 0001671477 scopus 로고
    • X-ray studies of synthetic coffinite, thorite and uranothorites
    • Fuchs L.H., Gebert E. X-ray studies of synthetic coffinite, thorite and uranothorites. Am. Mineral. 1958, 43:243-248.
    • (1958) Am. Mineral. , vol.43 , pp. 243-248
    • Fuchs, L.H.1    Gebert, E.2
  • 26
    • 10144223417 scopus 로고
    • Gaussian basis sets for molecular calculations. The representation of 3d orbitals in transition-metal atoms
    • Hay P.J. Gaussian basis sets for molecular calculations. The representation of 3d orbitals in transition-metal atoms. J. Chem. Phys. 1977, 66(10):4377-4384.
    • (1977) J. Chem. Phys. , vol.66 , Issue.10 , pp. 4377-4384
    • Hay, P.J.1
  • 27
    • 68149103358 scopus 로고    scopus 로고
    • Speciation and structural study of U(IV) and-(VI) in perchloric and nitric acid solutions
    • Ikeda-Ohno A., Hennig C., Tsushima S., Scheinost A.C., Bernhard G., Yaita T. Speciation and structural study of U(IV) and-(VI) in perchloric and nitric acid solutions. Inorg. Chem. 2009, 48:7201-7210.
    • (2009) Inorg. Chem. , vol.48 , pp. 7201-7210
    • Ikeda-Ohno, A.1    Hennig, C.2    Tsushima, S.3    Scheinost, A.C.4    Bernhard, G.5    Yaita, T.6
  • 30
    • 33846783153 scopus 로고    scopus 로고
    • Beam induced reduction of U(VI) during X-ray photoelectron spectroscopy: The utility of the U4f satellite structure for identifying uranium oxidation states in mixed valence uranium oxides
    • Ilton E.S., Boily J.-F., Bagus P.S. Beam induced reduction of U(VI) during X-ray photoelectron spectroscopy: The utility of the U4f satellite structure for identifying uranium oxidation states in mixed valence uranium oxides. Surf. Sci. 2007, 601(4):908-916.
    • (2007) Surf. Sci. , vol.601 , Issue.4 , pp. 908-916
    • Ilton, E.S.1    Boily, J.-F.2    Bagus, P.S.3
  • 34
    • 41949135683 scopus 로고    scopus 로고
    • Reduction of U(VI) by Fe(II) in the presence of hydrous ferric oxide and hematite: Effects of solid transformation, surface coverage, and humic acid
    • Jang J.-H., Dempsey B.A., Burgos W.D. Reduction of U(VI) by Fe(II) in the presence of hydrous ferric oxide and hematite: Effects of solid transformation, surface coverage, and humic acid. Water Res. 2008, 42:2269-2277.
    • (2008) Water Res. , vol.42 , pp. 2269-2277
    • Jang, J.-H.1    Dempsey, B.A.2    Burgos, W.D.3
  • 35
    • 23244465664 scopus 로고    scopus 로고
    • Chemical reduction of U(VI) by Fe(II) at the solid-water interface using natural and synthetic Fe(III) oxides
    • Jeon B.-H., Dempsey B.A., Burgos W.D., Barnett M.O., Roden E.E. Chemical reduction of U(VI) by Fe(II) at the solid-water interface using natural and synthetic Fe(III) oxides. Environ. Sci. Technol. 2005, 39:5642-5649.
    • (2005) Environ. Sci. Technol. , vol.39 , pp. 5642-5649
    • Jeon, B.-H.1    Dempsey, B.A.2    Burgos, W.D.3    Barnett, M.O.4    Roden, E.E.5
  • 37
    • 36449007808 scopus 로고
    • Energy-adjusted pseudopotentials for the actinides. Parameter sets and test calculations for thorium and thorium monoxide
    • Küchle W., Dolg M., Stoll H., Preuss H. Energy-adjusted pseudopotentials for the actinides. Parameter sets and test calculations for thorium and thorium monoxide. J. Chem. Phys. 1994, 100(10):7535-7542.
    • (1994) J. Chem. Phys. , vol.100 , Issue.10 , pp. 7535-7542
    • Küchle, W.1    Dolg, M.2    Stoll, H.3    Preuss, H.4
  • 38
    • 0033384616 scopus 로고    scopus 로고
    • Surface catalysis of uranium(VI) reduction by iron(II)
    • Liger E., Charlet L., Van Cappellen P. Surface catalysis of uranium(VI) reduction by iron(II). Geochim. Cosmochim. Acta 1999, 63(19/20):2939-2955.
    • (1999) Geochim. Cosmochim. Acta , vol.63 , Issue.19-20 , pp. 2939-2955
    • Liger, E.1    Charlet, L.2    Van Cappellen, P.3
  • 40
    • 0022004980 scopus 로고
    • Electron transfers in chemistry and biology
    • Marcus R.A., Sutin N. Electron transfers in chemistry and biology. Biochim. Biophys. Acta 1985, 811:265-322.
    • (1985) Biochim. Biophys. Acta , vol.811 , pp. 265-322
    • Marcus, R.A.1    Sutin, N.2
  • 42
    • 0042267865 scopus 로고    scopus 로고
    • Uranium (VI) sorption on colloidal magnetite under anoxic environment: Experimental study and surface complexation modelling
    • Missana T., García-Gutiérrez M., Fernndez V. Uranium (VI) sorption on colloidal magnetite under anoxic environment: Experimental study and surface complexation modelling. Geochim. Cosmochim. Acta 2003, 67(14):2543-2550.
    • (2003) Geochim. Cosmochim. Acta , vol.67 , Issue.14 , pp. 2543-2550
    • Missana, T.1    García-Gutiérrez, M.2    Fernndez, V.3
  • 43
    • 10444278210 scopus 로고    scopus 로고
    • Structural changes of uranyl moiety with reduction from U(VI) to U(V)
    • Mizuoka K., Ikeda Y. Structural changes of uranyl moiety with reduction from U(VI) to U(V). Radiochim. Acta 2004, 92:631-635.
    • (2004) Radiochim. Acta , vol.92 , pp. 631-635
    • Mizuoka, K.1    Ikeda, Y.2
  • 44
    • 0034653451 scopus 로고    scopus 로고
    • Uranium uptake from aqueous solution by interaction with goethite, lepidorocite, muscovite, and mackinawite: An X-ray absorption spectroscopy study
    • Moyes L.N., Parkman R.H., Charnock J.M., Vaughan D.J., Livens F.R., Hughes C.R., Braithwaite A. Uranium uptake from aqueous solution by interaction with goethite, lepidorocite, muscovite, and mackinawite: An X-ray absorption spectroscopy study. Environ. Sci. Technol. 2000, 34:1062-1068.
    • (2000) Environ. Sci. Technol. , vol.34 , pp. 1062-1068
    • Moyes, L.N.1    Parkman, R.H.2    Charnock, J.M.3    Vaughan, D.J.4    Livens, F.R.5    Hughes, C.R.6    Braithwaite, A.7
  • 45
    • 11644266970 scopus 로고
    • Electronic population analysis on LCAO-MO molecular wave functions
    • Mulliken R.S. Electronic population analysis on LCAO-MO molecular wave functions. I. J. Chem. Phys. 1955, 23:1833-1846.
    • (1955) I. J. Chem. Phys. , vol.23 , pp. 1833-1846
    • Mulliken, R.S.1
  • 46
    • 70349611319 scopus 로고    scopus 로고
    • Incorporation of oxidized uranium into Fe (hydr)oxides during Fe(II) catalyzed remineralization
    • Nico P.S., Stewart B.D., Fendorf S. Incorporation of oxidized uranium into Fe (hydr)oxides during Fe(II) catalyzed remineralization. Environ. Sci. Technol. 2009, 43:7391-7396.
    • (2009) Environ. Sci. Technol. , vol.43 , pp. 7391-7396
    • Nico, P.S.1    Stewart, B.D.2    Fendorf, S.3
  • 52
    • 84961979580 scopus 로고    scopus 로고
    • Outer-sphere electron transfer kinetics of metal ion oxidation by molecular oxygen
    • Rosso K.M., Morgan J.J. Outer-sphere electron transfer kinetics of metal ion oxidation by molecular oxygen. Geochim. Cosmochim. Acta 2002, 66(24):4223-4233.
    • (2002) Geochim. Cosmochim. Acta , vol.66 , Issue.24 , pp. 4223-4233
    • Rosso, K.M.1    Morgan, J.J.2
  • 54
    • 33748265331 scopus 로고    scopus 로고
    • Electron transfer in environmental systems: A frontier for theoretical chemistry
    • Rosso K.M., Dupuis M. Electron transfer in environmental systems: A frontier for theoretical chemistry. Theor. Chem. Acc. 2006, 116:124-136.
    • (2006) Theor. Chem. Acc. , vol.116 , pp. 124-136
    • Rosso, K.M.1    Dupuis, M.2
  • 56
    • 1142304483 scopus 로고    scopus 로고
    • X-ray photoelectron spectroscopy study of anodically oxidized SIMFUEL surfaces
    • Santos B.G., Nesbitt H.W., Noël J.J., Shoesmith D.W. X-ray photoelectron spectroscopy study of anodically oxidized SIMFUEL surfaces. Electrochim. Acta 2004, 49:1863-1873.
    • (2004) Electrochim. Acta , vol.49 , pp. 1863-1873
    • Santos, B.G.1    Nesbitt, H.W.2    Noël, J.J.3    Shoesmith, D.W.4
  • 57
    • 0039209924 scopus 로고
    • Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
    • Schäfer A., Huber C., Ahlrichs R. Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr. J. Chem. Phys. 1994, 100(8):5829-5835.
    • (1994) J. Chem. Phys. , vol.100 , Issue.8 , pp. 5829-5835
    • Schäfer, A.1    Huber, C.2    Ahlrichs, R.3
  • 58
    • 63249121159 scopus 로고    scopus 로고
    • XPS spectra of uranyl minerals and synthetic uranyl compounds I. The U 4f spectrum
    • Schindler M., Hawthorne F.C., Freund M.S., Burns P.C. XPS spectra of uranyl minerals and synthetic uranyl compounds I. The U 4f spectrum. Geochim. Cosmochim. Acta 2009, 73:2471-2487.
    • (2009) Geochim. Cosmochim. Acta , vol.73 , pp. 2471-2487
    • Schindler, M.1    Hawthorne, F.C.2    Freund, M.S.3    Burns, P.C.4
  • 61
    • 84944648082 scopus 로고
    • Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
    • Shannon R.D. Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides. Acta Crystallogr. 1976, A32:751-767.
    • (1976) Acta Crystallogr. , vol.32 A , pp. 751-767
    • Shannon, R.D.1
  • 62
    • 0034324911 scopus 로고    scopus 로고
    • Fuel corrosion processes under waste disposal conditions
    • Shoesmith D.W. Fuel corrosion processes under waste disposal conditions. J. Nucl. Mater. 2000, 282:1-31.
    • (2000) J. Nucl. Mater. , vol.282 , pp. 1-31
    • Shoesmith, D.W.1
  • 63
    • 80055041514 scopus 로고    scopus 로고
    • An experimental basis for a mixed potential model for nuclear fuel corrosion within a failed waste container. In Scientific Basis for Nuclear Waste Management XXVIII (eds. J. M. Hanchar, S. Stroes-Gascoyne, L. Browning), Proceedings of the Materials Research Society Symposium Proceedings.
    • Shoesmith D. W., Noël J. J. and Garisto F. (2004) An experimental basis for a mixed potential model for nuclear fuel corrosion within a failed waste container. In Scientific Basis for Nuclear Waste Management XXVIII (eds. J. M. Hanchar, S. Stroes-Gascoyne, L. Browning), Proceedings of the Materials Research Society Symposium Proceedings, vol. 824.
    • (2004) , vol.824
    • Shoesmith, D.W.1    Noël, J.J.2    Garisto, F.3
  • 65
    • 0036247989 scopus 로고    scopus 로고
    • Modelling the adsorption of uranyl on the surface of goethite
    • Steele H.M., Wright K., Hillier I.H. Modelling the adsorption of uranyl on the surface of goethite. Geochim. Cosmochim. Acta 2002, 66(8):1305-1310.
    • (2002) Geochim. Cosmochim. Acta , vol.66 , Issue.8 , pp. 1305-1310
    • Steele, H.M.1    Wright, K.2    Hillier, I.H.3
  • 66
    • 67650002625 scopus 로고    scopus 로고
    • Stability of uranium incorporated into Fe (hydr)oxides under fluctuating redox conditions
    • Stewart B.D., Nico P.S., Fendorf S. Stability of uranium incorporated into Fe (hydr)oxides under fluctuating redox conditions. Environ. Sci. Technol. 2009, 43:4922-4927.
    • (2009) Environ. Sci. Technol. , vol.43 , pp. 4922-4927
    • Stewart, B.D.1    Nico, P.S.2    Fendorf, S.3
  • 71
    • 0036334672 scopus 로고    scopus 로고
    • The local uranium environment in cesium uranates: A combined XPS, XAS, XRD, and neutron diffraction analysis
    • Van den Berghe S., Verwerft M., Laval J.P., Gaudreau B., Allen P.G., Van Wyngarden A. The local uranium environment in cesium uranates: A combined XPS, XAS, XRD, and neutron diffraction analysis. J. Solid State Chem. 2002, 166(2):320-329.
    • (2002) J. Solid State Chem. , vol.166 , Issue.2 , pp. 320-329
    • Van den Berghe, S.1    Verwerft, M.2    Laval, J.P.3    Gaudreau, B.4    Allen, P.G.5    Van Wyngarden, A.6
  • 72
  • 73
    • 33747029981 scopus 로고    scopus 로고
    • Some quantum chemical aspects on outer-sphere electron-transfer reactions: The U(V)/Fe(III)-U(VI)/Fe(II) system
    • Wahlgren U., Tsushima S., Grenthe I. Some quantum chemical aspects on outer-sphere electron-transfer reactions: The U(V)/Fe(III)-U(VI)/Fe(II) system. J. Phys. Chem. A 2006, 110:9025-9027.
    • (2006) J. Phys. Chem. A , vol.110 , pp. 9025-9027
    • Wahlgren, U.1    Tsushima, S.2    Grenthe, I.3
  • 74
    • 0028554504 scopus 로고
    • Uranium(VI) adsorption to ferrihydrite: Application of a surface complexation model
    • Waite T.D., Davis J.A., Payne T.E., Waychunas G.A., Xu N. Uranium(VI) adsorption to ferrihydrite: Application of a surface complexation model. Geochim. Cosmochim. Acta 1994, 58(24):5465-5478.
    • (1994) Geochim. Cosmochim. Acta , vol.58 , Issue.24 , pp. 5465-5478
    • Waite, T.D.1    Davis, J.A.2    Payne, T.E.3    Waychunas, G.A.4    Xu, N.5
  • 75
    • 33748249317 scopus 로고    scopus 로고
    • Kinetics of triscarbonato uranyl reduction by aqueous ferrous iron: A theoretical study
    • Wander M.C.F., Kerisit S., Rosso K.M., Schoonen M.A.A. Kinetics of triscarbonato uranyl reduction by aqueous ferrous iron: A theoretical study. J. Phys. Chem. A 2006, 110:9694-9701.
    • (2006) J. Phys. Chem. A , vol.110 , pp. 9694-9701
    • Wander, M.C.F.1    Kerisit, S.2    Rosso, K.M.3    Schoonen, M.A.A.4
  • 76
    • 34548215137 scopus 로고    scopus 로고
    • Structure and charge hopping dynamics in green rust
    • Wander M.C., Rosso K.M., Schoonen M.A. Structure and charge hopping dynamics in green rust. J. Phys. Chem. C 2007, 111(30):11414-11423.
    • (2007) J. Phys. Chem. C , vol.111 , Issue.30 , pp. 11414-11423
    • Wander, M.C.1    Rosso, K.M.2    Schoonen, M.A.3
  • 77
    • 0005867244 scopus 로고
    • Gaussian basis set for molecular wavefunctions containing third-row atoms
    • Watchers A.J.H. Gaussian basis set for molecular wavefunctions containing third-row atoms. J. Chem. Phys. 1970, 52(3):1033-1036.
    • (1970) J. Chem. Phys. , vol.52 , Issue.3 , pp. 1033-1036
    • Watchers, A.J.H.1


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