Chapter 21 Applying surface complexation modeling to radionuclide sorption

Interface Science and Technology

Volumn 11, Issue C, 2006, Pages 553-604

  Turner, D R ^a   Bertetti, F P ^a   Pabalan, R T ^a  

^a Center for Nuclear Waste Regulatory Analyses   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77957203466     PISSN: 15734285     EISSN: None     Source Type: Book Series    
DOI: 10.1016/S1573-4285(06)80065-7     Document Type: Chapter

References (152)

1. National Research Council. Disposition of high-level radioactive waste and spent nuclear fuel: The continuing societal and technical challenges (2001), National Academy Press, Washington, D.C.
2. Bechtel SAIC Company, LLC (BSC). Technical basis document No. 11: Saturated zone flow and transport (2003), Bechtel SAIC Company, LLC, North Las Vegas, Nevada
3. Freeze R.A., and Cherry J.A. Groundwater (1979), Prentice-Hall, Inc., Englewood Cliffs, New Jersey
4. Kohler M., Wieland E., and Leckie J.O. Metal-ligand-surface interactions during sorption of uranyl and neptunyl on oxides and silicates. In: Kharaka Y.K. (Ed). Proceedings of the 7th International Symposium on Water-Rock Interaction-WRI-7, Volume 1: Low temperature Environments (1992), A.A. Balkema, Rotterdam, The Netherlands
5. CNWRA 95-001. Turner D.R. A uniform approach to surface complexation modeling of radionuclide sorption (1995), CNWRA, San Antonio, Texas
6. Nuclear Energy Agency. Using thermodynamic sorption models for guiding radioelement distribution (Kd) investigations: A status report (2001), NEA, Organization for Economic Cooperation and Development, Paris, France
7. Wang P., Anderko A., and Turner D.R. Thermodynamic modeling of radionuclide adsorption on selected minerals. I: Cations. Industrial and Engineering Chemistry Research 40 (2001) 4428
8. Wang P., Anderko A., and Turner D.R. Thermodynamic modeling of radionuclide adsorption on selected minerals. II: Anions. Industrial and Engineering Chemistry Research 40 (2001) 4444
9. Colorado, NUREG/CR-6820. Davis J.A., and Curtis G.P. Application of surface complexation modeling to describe uranium(vi) adsorption and retardation at the uranium mill tailings site at Naturita (2003), NRC, Washington, D.C.
10. d s-Can they be used to describe reversible ion sorption reactions in contaminant migration?. Groundwater 19 (1981) 279
11. NUREG/CR-4807. Kent D.B., Tripathi V.S., Ball N.B., Leckie J.O., and Siegel M.D. Surface-complexation modeling of radionuclide adsorption in subsurface environments (1988), NRC, Washington, D.C.
12. Davis J.A., and Kent D.B. Surface complexation modeling in aqueous geochemistry, reviews in Mineralogy, Volume 23: Mineral-water interface geochemistry. In: Hochella Jr. M.F., and White A.F. (Eds) (1990), Mineralogical Society of America, Washington, D.C.
13. SAND93-2675. Wilson M.L., et al. Total system performance assessment for Yucca Mountain-SNL Second Iteration (TSPA-1993) (1994), Sandia National Laboratories Albuquerque, New Mexico
14. Milestone 3784M, LA-13262- MS. Triay I.R., Meijer A., Conca J.L., Kung K.S., Rundberg R.S., Strietelmeier E.A., Tait C.D., Clark D.L., Neu M.P., and Hobart D.E. Summary and synthesis report on radionuclide retardation for the Yucca Mountain site characterization project (1997), Chemical Science and Technology Division, Los Alamos National Laboratory, Los Alamos, New Mexico
15. U.S. Department of Energy (DOE). Viability assessment of a repository at Yucca Mountain: Total system performance assessment. DOE/RW-0508 Volume 3 (1998), Office of Civilian Radioactive Waste Management, Washington, D.C.
16. Civilian Radioactive Waste Management System, Management Operating Contractor (CRWMS M&O). Unsaturated zone and saturated zone transport properties (U0100). ANL- NBS-HS-000019, Rev 00, ICN 02 (2001), Civilian Radioactive Waste Management System, Management and Operating Contractor, North Las Vegas, Nevada
17. Bechtel SAIC, LLC (BSC). SZ Flow and Transport Model Abstraction. MDL-NBS-HS- 00021, REV 00 (2003), Bechtel SAIC Company, LLC, North Las Vegas, Nevada
18. EPA/600/3-91/021. Allison J.D., Brown D.S., and Novo-Gradac K.J. MINTEQA2/PRODEFA2, a geochemical assessment model for environmental systems: Version 3.0 User's Manual (1991), U.S. Environmental Protection Agency, Athens, Georgia
19. U.S. Environmental Protection Agency. MINTEQA2/PRODEFA2, A geochemical assessment model for environmental systems: User manual supplement for Version 4.0 (1999), U.S. Environmental Protection Agency, National Exposure Research Laboratory, Ecosystems Research Division, Athens, Georgia
20. U.S. Environmental Protection Agency. Diffuse-layer Sorption Reactions for Use in MINTEQA2 for HWIR Metals and Metalloids (1999), U.S. Environmental Protection Agency, National Exposure Research Laboratory, Ecosystems Research Division, Athens, Georgia
21. Parkhurst D.L., and Appelo C.A.J. User's guide to PHREEQC (Version 2-A computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations. Water-Resources Investigations Report 99-4259 (1999), U.S. Geological Survey, Denver, Colorado
22. Dzombak D.A., and Morel F.M.M. Surface complexation modeling: hydrous ferric oxide (1990), John Wiley and Sons, New York, New York
23. Hayes K.F., Redden G., Ela W., and Leckie J.O. Surface complexation models: an evaluation of model parameter estimation using FITEQL and oxide mineral titration data. Journal of Colloid and Interface Science 142 (1991) 448
24. Turner D.R., and Sassman S.A. Approaches to sorption modeling for high-level waste performance assessment. Journal of Contaminant Hydrology 21 (1996) 311
25. Sverjensky D.A., and Sahai N. Theoretical prediction of single-site surface-protonation equilibrium constants for oxides and silicates in water. Geochimica et Cosmochimica Acta 60 (1996) 3773
26. Sahai N., and Sverjensky D.A. Estimation of internally-consistent parameters for the triple- layer model by the systematic analysis of oxide surface titration data. Geochimica et Cosmochimica Acta 61 (1997) 2801
27. Sahai N., and Sverjensky D.A. Solvation and electrostatic model for specific electrolyte adsorption. Geochimica et Cosmochimica Acta 61 (1997) 2827
28. Davis J.A., and Leckie J.O. Surface ionization and complexation at the oxide/water interface 2, surface properties of amorphous iron oxyhydroxide and adsorption of metal ions. Journal of Colloid and Interface Science 67 (1978) 90
29. Langmuir D. Aqueous environmental geochemistry (1997), Prentice-Hall, Englewood Cliffs, New Jersey
30. Gunnarsson M. Surface complexation at the iron oxide/water interface-experimental investigations and theoretical developments (2002), Chalmers Reproservice, Göteborg. 91-628-5431-3
31. Payne T.E., Davis J.A., Ochs M., Olin M., and Tweed C.J. Uranium adsorption on weathered schist-Intercomparison of modelling approaches. Radiochimica Acta 92 (2004) 651
32. Westall J.C., and Hohl H. A comparison of electrostatic models for the oxide/solution interface. Advances in Colloid and Interface Science 12 (1980) 265
33. NUREG/CR-5547. Hayes K.F., Redden G., Ela W., and Leckie J.O. Application of surface complexation models for radionuclide adsorption: Sensitivity analysis of model input parameters (1990), NRC, Washington, DC
34. Brendler V., Richter A., Nebelung C., and Vahle A. Development of a mineral-specific sorption database for surface complexation modeling, Part I: Final report, Project PtWt+E 02E9471 (2004), Forschungszentrum Rossendorf, Dresden, Germany
35. Davis J.A., James R.O., and Leckie J.O. Surface ionization and complexation at the oxide/water interface 1, computation of electrical double layer properties in simple electrolytes. Journal of Colloid and Interface Science 63 (1978) 480
36. Hayes K.F., and Leckie J.O. Mechanism of Lead Ion Adsorption at the Goethite-water interface. In: Davis J.A., and Hayes K.F. (Eds). Geochemical Processes at Mineral Surfaces. ACS Symposium Series 323 (1987), American Chemical Society, Washington, DC 114141
37. Koß V. Modeling of U(VI) sorption and speciation in a natural sediment-groundwater system. Radiochimica Acta 44/45 (1988) 403
38. Davis J.A., Coston J.A., Kent D.B., and Fuller C.C. Application of the surface complexation concept to complex mineral assemblages. Environmental Science and Technology 32 (1998) 2820
39. Del Nero M., Ben Said K., Madé B., Clément A., and Bontems G. Effect of pH and carbonate concentration in solution on the sorption of neptunium(V) by hydrargilite: application of the non-electrostatic model. Radiochimica Acta 81 (1998) 133
40. UCRL-JC-133474. Zavarin M., and Bruton C.J. A non-electrostatic surface complexation approah to modeling radionuclide migration: The role of iron oxides and carbonate (1999), Lawrence Livermore National Laboratory Livermore, California
41. Emren A.T., and Jacobsson A.-M. Comparison of a non-electrostatic surface complexation model and surface phase theories for prediction of future sorption properties. In: Hanchar J.M., Stroes-Gascoyne S., and Browning L. (Eds). Materials Research Society Symposium Proceedings: Scientific Basis for Nuclear Waste Management-XXVIII (2004), Materials Research Society, Pittsburgh, Pennsylvania 365-371
42. Kohler M., Curtis G.P., Meece D.E., and Davis J.A. Methods for estimating adsorbed uranium(VI) and distribution coefficients of contaminated sediments. Environmental Science and Technology 38 (2004) 240
43. Mesuere K.L.G. Adsorption and dissolution reactions between oxalate, chromate, and an iron oxide surface: Assessment of current modeling concepts. Ph.D. dissertation (1992), Oregon Graduate Institute of Science and Technology, Beaverton, Oregon
44. Benjamin M.M., and Leckie J.O. Multiple-site adsorption of Cd, Cu, Zn, and Pb on amorphous iron oxyhydroxide. Journal of Colloid and Interface Science 79 (1981) 209
45. Waite T.D., Davis J.A., Payne T.E., Waychunas G.A., and Xu N. Uranium(VI) adsorption to ferrihydrite: application of a surface complexation model. Geochimica et Cosmochimica Acta 58 (1994) 5465
46. Yates D.A. The structure of the oxide/aqueous electrolyte. Ph.D. Dissertation (1975), University of Melbourne, Melbourne, Autralia
47. Davis J.A. Adsorption of trace metals and complexing ligands at the oxide/water interface. Ph.D. dissertation (1977), Stanford University, Stanford, California
48. Hsi C.-K., and Langmuir D. Adsorption of uranyl onto ferric oxyhydroxides: Application of the surface complexation site-binding model. Geochimica et Cosmochimica Acta 49 (1985) 1931
49. Bertetti F.P., Pabalan R.T., and Almendarez M.G. Studies of neptunium V sorption on quartz, clinoptilolite, montmorillonite, and α-alumina. In: Jenne E.A. (Ed). Adsorption of Metals by Geomedia (1998), Academic Press, Inc., New York, New York 131-148
50. Pabalan R.T., Turner D.R., Bertetti F.P., and Prikryl J.D. Uranium Vl sorption onto selected mineral surfaces. In: Jenne E.A. (Ed). Adsorption of metals by Geomedia (1998), Academic Press, Inc., New York 99-130
51. Prikryl J.D., Jain A., Turner D.R., and Pabalan R.T. Uranium Vl sorption behavior on silicate mineral mixtures. Journal of Contaminant Hydrology 47 (2001) 241
52. Rosentreter J.J., Swantje Quarder H., Smith R.W., and McLing T. Uranium sorption onto natural sands as a function of sediment characteristics and solution pH. In: Jenne E.A. (Ed). Adsorption of metals by Geomedia (1998), Academic Press, Inc., New York, New York 181-192
53. Westall J.C. FITEQL: A computer program for determination of chemical equilibrium constants from experimental data, Version 1.2. Report 82-01 (1982), Oregon State University, Department of Chemistry, Corvallis, Oregon
54. Westall J.C. FITEQL: A Computer program for determination of chemical equilibrium constants from experimental data, Version 2.0. Report 82-02 (1982), Oregon State University, Department of Chemistry, Corvallis, Oregon
55. Herbelin A., and Westall J.C. FITEQL-A computer program for determination of chemical equilibrium constants from experimental data (1994), Oregon State University, Corvallis, Oregon
56. James R.O., and Parks G. Characterization of aqueous colloids by their electrical double-layer and intrinsic surface chemical properties. Surface and Colloid Science 12 (1982) 119
57. Smith R.W., and Jenne E.A. Compilation, evaluation, and prediction of triple-layer model constants for ions on Fe(III) and Mn(IV) hydrous oxides (1988), PNL-6754, Pacific Northwest Laboratory, Richland, Washington
58. Dzombak D.A. Toward a uniform model for the sorption of inorganic ions on hydrous oxides. Ph.D. Dissertation (1985), Massachusetts Institute of Technology, Boston, Massachusetts
59. Abendroth R.P. Behavior of pyrogenic silica in aqueous electrolytes. Journal of Colloid and Interface Science 34 (1970) 591
60. Huang C.P., and Stumm W. The specific surface area of γ-A12O3. Surface Science 32 (1972) 287
61. Berube Y.G., and Bruyn P.L.d. Adsorption at the rutile-solution interface, 1: thermodynamic and experimental study. Journal of Colloid and Interface Science 27 (1968) 305
62. Sahai N., and Sverjensky D.A. GEOSURF: A computer program for modeling adsorption on mineral surfaces from aqueous solution. Computers and Geosciences 24 (1998) 853
63. NUREG/CR-6708. Davis J.A. Surface complexation modeling of uranium(VI) adsorption on natural mineral assemblages (2001), NRC, Washington, DC
64. Stanford, California, Stanford, California. Tripathi V.S. Uranium(VI) transport modeling: geochemical data and submodels. Ph.D. dissertation (1984)
65. Arnold T., Kohler M., Bernhard G., and Nitsche H. Using a surface complexation model to simulate the sorption of U(VI) on ferrihydrite. Annual Report 1995. Report FFZR-123 (1996), Forschungszentrum Rossendorf e.V., Institute of Radiochemistry 18-19
66. Payne T.E., Sekine K., Davis J.A., and Waite T.D. Modeling of radionuclide sorption processes in the weathered zone of the Koongarra ore body. In: Duerden P. (Ed). Alligator Rivers Analogue Project Annual Report, 1990-1991 (1992), Australian Nuclear Science and Technology Organization (ANSTO) 5785
67. Idemitsu K.K., Obata, Furuya H., and Inagaki Y. Sorption behavior of uranium (VI) on a biotite mineral. In: Murakami T., and Ewing R.C. (Eds). Materials Research Society Symposium Proceedings-XXVIII 353 (1995), Materials Society, Pittsburrgh, Pennsylvania 981
68. 2/2+ adsorption on a surface smectite. Geochimica et Cosmochimica Acta 60 (1996) 3399
69. Pabalan R.T., and Turner D.R. Uranium(6+) sorption on montmorillonite: Experimental and surface complexation modeling study. Aquatic Geochemistry 2 (1997) 203
70. Mea G.D., Dran J.C., Moulin V., Petit J.C., Ramsay J.D.F., and Theyssier M. Scavenging properties of inorganic particles toward heavy elements. Radiochimica Acta 58/59 (1992) 219
71. Nero M.D., Assada A., Madé B., Barrillon R., and Duplâtre G. Surface charges and Np(V) sorption on amorphous Al and Fe silicates. Chemical Geology 211 (2004) 15
72. Lieser K.H., and Thybusch B. Sorption of uranyl ions on hydrous titanium dioxide. Fresenius Zeitschrift für Analytische Chemie 332 (1988) 351
73. Venkataramani B., and Gupta A.R. Effect of anions on the sorption of uranyl ions on hydrous oxides: Application of the surface hydrolysis model. Colloids and Surfaces 53 (1991) 119
74. Lenhard J.J., Murphy R.J., Saenton S., and Honeyman B.D. The effect of citric acid on the sorption of thorium and uranium on hematite. Symposia Papers (1999), Division of Environmental Chemistry, American Chemical Society, Anaheim, California
75. Arnold T., Zorn T., Bernhard G., and Nitsche H. Sorption of uranium(VI) onto phyllite. Chemical Geology 151 (1998) 129
76. Waite T.D., Davis J.A., Fenton B.R., and Payne T.E. Approaches to modelling uranium(VI) adsorption on natural mineral assemblages. Radiochimica Acta 88 (2000) 687
77. Baik M.-H., Cho W.-J., and Hahn P.-S. A parametric study on the sorption of U(VI) onto granite. Journal of the Korean Radioactive Waste Society 2 (2004) 135
78. Barnett M.O., Jardine P.M., and Brooks S.C. U(VI) adsorption to heterogeneous subsurface media: application of a surface complexation model. Environmental Science and Technology 36 (2002) 937
79. Sanchez A.L., Murray J.W., and Sibley T.H. The adsorption of plutonium IV and V on goethite. Geochimica et Cosmochimica Acta 49 (1985) 2297
80. Righetto L., Bidoglio G., Marcandalli B., and Bellobono I.R. Surface interactions of actinides with alumina colloids. Radiochimica Acta 44/45 (1988) 73-75
81. Allard B., Olofsson U., Torstenfeit B., and Kipatsi H. Sorption behaviour of actinides in well- defined oxidation states. SKBF-TR 83(61) (1983)
82. Allard B., Olofsson U., Torstenfeit B., Kipatsi H., and Anderson K. Sorption of actinides in well-defined oxidation states on geologic media. Materials Research Society Symposium Proceedings (1982), Materials Society, Pittsburgh, Pennsylvania 775
83. Beall G.W., and Allard B. Sorption of actinides from aqueous solutions under environmental conditions-Chapter 10. In: Tewari P.H. (Ed). Adsorption from aqueous solutions (1981), Plenum Press, New York, New York 193-212
84. Nakayama S., and Sakamoto Y. Sorption of neptunium on naturally occurring iron-containing minerals. Radiochimica Acta 52/53 (1991) 153
85. Fujita T., Tsukamoto M., Ohe T., Nakayama S., and Sakamoto Y. Modeling of neptunium (V) sorption behavior onto iron-containing minerals. In: Murakami T., and Ewing R.C. (Eds). Materials Research Society Symposium Proceedings-XXVIII 353 (1994), Materials Society, Pittsburgh, Pennsylvania 965-972
86. Tochiyama O., Endo S., and Inoue Y. Sorption of neptunium(V) on various iron oxides and hydrous iron oxides. Radiochimica Acta 68 (1995) 105
87. Girvin D.C., Ames L.L., Schwab A.P., and McGarrah J.E. Neptunium adsorption on synthetic amorphous iron oxyhydroxide. Journal of Colloid and Interface Science 141 (1991) 67
88. Kozai N., Ohnuki T., and Muraoka S. Sorption behavior of neptunium on bentonite-effect of calcium ion on the sorption. In: Murakami T., and Ewing R.C. (Eds). Materials Research Society Symposium Proceedings-XXVIII 353 (1995), Materials Society, Pittsburgh, Pennsylvania 1021-1028
89. Turner D.R., Pabalan R.T., and Bertetti F.P. Neptunium(V) sorption on montmorillonite: an experimental and surface complexation modeling study. Clays and Clay Minerals 46 (1998) 256
90. Ohe T., Tsukamoto M., Fujita T., Hesbol R., and Hermansson H.-P. Temperature and pH dependence of neptunium(V) sorption on bentonite. Conference on Nuclear Waste Management and Environmental Remediation, Prague, Czechoslovakia Vol. 1 (1993) 197-205
91. JAERI-M94-027. Kozai N. Sorption characteristics of neptunium by smectite. Progress report on safety research on radioactive waste management for the period April 1992 to March 1993 (1994), Japan Atomic Energy Research Institute, Tokai, Japan 39-41
92. Kozai N., Ohnuki T., Matsumoto J., Banba T., and Ito Y. A study of specific sorption of neptunium(V) on smectite in low pH solutions. Radiochimica Acta 75 (1996) 149
93. Niitsu Y., Sato S., Ohashi H., Sakamoto Y., Nagao S., Ohuki T., and Muraoka S. Effects of humic acid on the sorption of neptunium(V) on kaolinite. Journal of Nuclear Materials 248 (1997) 328
94. Righetto L., Bidoglio G., Azimonti G., and Bellobono I.R. Competitive actinide interactions in colloidal humic acid-mineral oxide systems. Environmental Science and Technology 25 (1991) 1913
95. Tochiyama O., Yamazaki H., and Mikami T. Sorption of neptunium(V) on various aluminum oxides and hydrous aluminum oxides. Radiochimica Acta 73 (1996) 191
96. Nero M.D., Madé B., Bontems G., and Clément A. Adsorption of neptunium(V) on hydrargilite. Radiochimica Acta 76 (1997) 219
97. 2 . Radiochimica Acta 85 (1999) 33
98. Sakamoto Y., Nagao S., Ohnuki T., Senoo M., Ohashi A., Sato S., and Ohashi H. Influence of humic acid on sorption of neptunium(V) onto soil. In: Murakami T., and Ewing R.C. (Eds). Materials Research Society Symposium Proceedings-XXVIII 353 (1995), Materials Society, Pittsburgh, Pennsylvania 997-1004
99. McCubbin D., and Leonard K.S. Influence of some seawater components on the sorption behaviour of neptunium(V). Radiochimica Acta 69 (1995) 97
100. Yamamoto K., Yanagi T., Senoo M., and Sakamoto Y. Sorption behavior of neptunium(V) ion on clay sorbent. Journal of Nuclear Science and Technology 27 (1990) 626
101. Moulin V., Stammose D., and Ouzounian G. Actinide sorption at oxide-water interfaces: Application to α alumina and amorphous silica. Applied Geochemistry Supplemental Issue 1 (1992) 163
102. Stammose D., and Dolo J.M. Sorption of americium at trace levels on a clay mineral. Radiochimica Acta 51 (1990) 189
103. Mimura H., Ishihara Y., and Akaba K. Adsorption behavior of americium on zeolites. Journal of Nuclear Science Technology 28 (1991) 144
104. Sakuragi T., Sato S., Kozaki T., Mitsugashira T., Hara M., and Suzuki Y. Am(III) and Eu(III) uptake on hematite in the presence of humic acid. Radiochimica Acta 92 (2004) 697
105. Hunter K.A., Hawke D.J., and Choo L.K. Equilibrium adsorption of thorium by metal oxides in marine electrolytes. Geochimica et Cosmochimica Acta 52 (1988) 627
106. LaFlamme B.D., and Murray J.W. Solid/solution interaction: The effect of carbonate alkalinity on adsorbed thorium. Geochimica et Cosmochimica Acta 51 (1987) 243
107. Riese A.C. Adsorption of radium and thorium onto quartz and kaolinite: A comparison of solution/surface equilibria models. Ph.D. dissertationt (1982), Colorado School of Mines, Golden,Colorado
108. Brendler V., Vahle A., Arnold T., Bernhard G., and Fanghänel T. RES3T-Rossendorf expert system for surface and sorption thermodynamics. Journal of Contaminant Hydrology 61 (2003) 281
109. Allard B., Olofsson U., and Torstenfeit B. Environmental actinide chemistry. Inorganic Chimica Acta 94 (1984) 205
110. Triay I.R., Robinson B.A., Lopez R.M., Mitchell A.J., and Overly C.M. Neptunium retardation with tuffs and groundwaters from Yucca Mountain. Proceedings 4th Annual International Conference on High-Level Radioactive Waste Management (1993), American Nuclear Society, La Grange Park, Illinois 1504-1508
111. Torstenfeit B., Rundberg R.S., and Mitchell A.J. Actinide sorption on granites and minerals as a function of pH and colloids/pseudocolloids. Radiochimica Acta 44/45 (1988) 111
112. Sakamoto Y., Konishi M., Shirahashi K., Senoo M., and Mariyama N. Adsorption behavior of neptunium for soil. Radioactive Waste Management and the Nuclear Fuel Cycle 15 (1990) 13-25
113. Dozol M., and Hagemann R. Radionuclide migration in groundwaters: review of the behaviour of actinides. Pure and Applied Chemistry 65 (1993) 1081
114. Payne T.K., Lumpkin G.R., and Waite T.D. Uranium VI sorption on model minerals: Controlling factors and surface complexation modeling. In: Jenne E.A. (Ed). Adsorption of metals by Geomedia (1998), Academic Press, New York, New York 75-97
115. Smith R.W., and Schafer A.L. Effective reactive surface area: An anisotropic property of physically and chemically heterogeneous porous media. In: Wronkiewicz D.J., and Lee J.H. (Eds). Materials Research Society Symposium Proceedings: Scientific Basis for Nuclear Waste Management-XXII (1999), Materials Research Society, Pittsburgh, Pennsylvania 1051-1058
116. Zachara J.M., and McKinley J.P. Influence of hydrolysis on the sorption of metal cations by smectites: Importance of edge coordination reactions. Aquatic Science 55 (1993) 250
117. Wanner H., Albinsson Y., Kami O., Wieland E., Wersin P., and Charlet L. The acid/base chemistry of montmorillonite. Radiochimica Acta 66/67 (1994) 733
118. Turner D.R., and Pabalan R.T. Abstraction of mechanistic sorption model results for performance assessment calculations at Yucca Mountain 19 (1999), Nevada, Waste Management 375
119. SAND90-7085/UC-721. Park S.-W., Leckie J.O., and Siegel M.D. Surface complexation modeling of uranyl adsorption on corrensite from the waste isolation pilot plant site (1995), Sandia National Laboratories, Albuquerque, New Mexico
120. Zachara J.M., Girvin D.C., Schmidt R.L., and Resch C.T. Chromate adsorption on amorphous iron oxyhydroxide in the presence of major groundwater ions. Environmental Science and Technology 21 (1987) 589
121. Bruno J., Stumm W., Wersin P., and Brandberg F. On the influence of carbonate in mineral dissolution: I. The thermodynamic and kinetics of hematite dissolution in bicarbonate solutions at T = 25 °C. Geochemica et Cosmochimica Acta 56 (1982) 1139
122. Geen A.v., Robertson A.P., and Leckie J.O. Complexation of carbonate species at the goethite surface: Implications for adsorption of metal ions in natural waters. Geochimica et Cosmochimica Acta 58 (1994) 2073
123. Askarieh M.M., Heath T.G., and Tearle W.M. Application of a Monte Carlo approach to surface complexation modeling, J.M. Hanchar. In: Stroes-Gascoyne S., and Browning L. (Eds). Materials Research Society Symposium Proceedings: Scientific Basis for Nuclear Waste Management- XXVIII (2004), Materials Research Society, Pittsburgh, Pennsylvania 359-364
124. Grenthe I., Fuger J., Konings R., Lemire R.J., Muller A.B., Nguyen-Trung C., and Wanner H. Chemical thermodynamics series, Volume 1: Chemical thermodynamics of uranium, NEA, Organization for Economic Cooperation and Development (1992), Elsevier, New York, New York
125. Silva R.J., Bidoglio G., Rand M.H., Robouch P.B., Wanner H., and Puigdomenich I. Chemical thermodynamics series, Volume 2: Chemical thermodynamics of americium, NEA, Organization for Economic Cooperation and Development (1995), Elsevier, New York, New York
126. Rard J.A., Rand M.H., Anderegg G., and Wanner H. Chemical thermodynamics series, Volume 3: Chemical thermodynamics of technetium, NEA, Organization for Economic Cooperation and Development (1999), Elsevier, New York
127. Lemire R.J., Fuger J., Nitsche H., Potter P., Rand M.H., Rydberg J., Spahiu K., Sullivan J.C., Ullman W.J., Vitorge P., and Wanner H. Chemical thermodynamics series, Volume 4: Chemical thermodynamics of neptunium and plutonium, NEA, Organization for Economic Cooperation and Development (2001), Elsevier, New York
128. Guillaumont R., Fanghänel T., Fuger J., Grenthe I., Neck V., Palmer D., and Rand M.H. Chemical thermodynamics series, Volume 5: Update on the cemical thermodynamics of uranium, neptunium, plutonium, americium, and technetium, NEA Organization f Cooperation and Development (2003), Elsevier, New York
129. Hummel W., Bemer U., Curti E., Pearson F.J., and Thoenen T. NAGRA/PSI Chemical thermodynamic database 01/01 (2002), Universal Publishers, Boca Raton, Florida
130. Heath T.G., and Ilett D.J. The HATCHES User Manual (2004), Serco Assurance, Oxfordshire, United Kingdom
131. (accessed February 24, 2005). Japan Nuclear Cycle Development Institute (JNC). Summary of the Thermodynamic Database (2005). http://migrationdb.jnc.go.jp/english.html
132. Payne T.E., and Waite T.D. Surface complexation modelling of uranium sorption data obtained by isotope exchange techniques. Radiochimica Acta 52/53 (1991) 487
133. Brendler V., and Richter A. Development of a mineral-specific sorption database for surface complexation modeling, Part II: Manual RES3T Rossendorf expert system for surface and sorption thermodynamics: 1st release, Project PtWt+E 02E9471 (2004), Forschungszentrum Rossendorf, Dresden, Germany
134. EPRI-EA-5741. Rai D., Zachara J.M., Eary L.E., Ainsworth C.C., Amonette J.E., Cowan C.E., Szelmeczka R.W., Resch C.R., Schmidt R.L., Girvin D.C., and Smith S.C. Chromium reactions in geologic materials (1988), Electric Power Research Institute (EPR1), Palo Alto, California
135. Bradbury M.H., and Baeyens B. Modelling the sorption of Mn(II), Co(II), Ni(II), Zn(II), Cd(II), Eu(III), Am(III), Sn(IV), Th(IV), Np(V), and U(VI) on montmorillonite: Linear free energy re and estimates of surface binding constants for some selected heavy metals and actinides. Geochimica et Cosmochimica Acta 69 (2005) 875
136. McKinley J.P., Zachara J.M., Smith S.C., and Turner G.D. The influence of hydrolysis and multiple site-binding reactions on adsorption of U(VI) to montmorillonite. Clays Clay Minerals 43 (1995) 586
137. White G.N., and Zelazny L.W. Analysis and implications of the edge structure of dioctahedral phyllosilicates. Clays and Clay Minerals 36 (1988) 141
138. Gaines G.I., and Thomas H.C. Adsorption studies on clay minerals, II, A formulation of the thermodynamics of exchange adsorption. Journal of Chemical Physics 21 (1953) 714
139. Honeyman B.D. Cation and anion adsorption at the oxide/solution interface in systems containing binary mixtures of adsorbents: an investigation of the concept of additvity. Ph.D. dissertation (1984), Stanford University, Stanford, California
140. Altmann S.A. Copper binding in heterogeneous, multicomponent aqueous systems: Mathematical and experimental modeling study. Ph.D. dissertation (1984), Stanford University, Stanford, California
141. Arnold T., Zorn T., Zänker H., Bernhard G., and Nitsche H. Sorption behavior of U(VI) on phyllite: experiments and modeling. Journal of Contaminant Hydrology 47 (2001) 219
142. Bradbury M.H., and Baeyens B. A mechanistic description of Ni and Zn sorption on Na- montmorillonite, Part II: Modeling. Journal of Contaminant Hydrology 27 (1997) 223
143. 2 dependence of uranium(VI) Adsorption by a weathered schist with surface complexationP.-C. Zhang, P.V. Brady, Geochemistry of Soil Radionuclides, Soil Science Society of America Special Publication 59, Wisconsin, Madison, 61-86
144. (). Yeh G.T., and Tripathi V.S. A model for simulating transport of reactive multispecies components: model development and demonstration. Water Resources Research 27 (1991) 3075
145. SAND93-7081. Yeh G.T., Hopkins P.L., Carpenter S.L., and Siegel M.D. Users' manual for LEHGC: A Langrangian-Eulerian finite-element model of hydrogeochemical transport through saturated- unsaturated media-Version 1.0 (1995), Sandia National Laboratories, Albuquerque, New Mexico
146. 2002. Tripathi V.S., and Yeh G.T. A performance comparison of scalar, vector, and concurrent vector computers including supercomputers for modeling transport of reactive contaminants in ground. Water Resources Research 29 (1993) 1819
147. Turner D.R., Bertetti F.P., and Pabalan R.T. The role of radionuclide sorption in high-level waste performance assessment: Approaches for the abstraction of detailed models. In: Zhang P.-C., and Brady P.V. (Eds). Geochemistry of Soil Radionuclides. Special Publication 59 (2002), Soil Science Society of America Madison, Wisconsin 211-252
148. Yeh G.T., and Tripathi V.S. A critical evaluation of recent developments in hydrogeochemical transport models of reactive multichemical components. Water Resources Research 25 (1989) 93
149. Pabalan R.T., Turner D.R., and Bertetti F.P. Sorption modeling for HLW performance assessment. In: Sagar B. (Ed). NRC High-Level Radioactive Waste Research at CNWRA January- June. 1994. CNWRA 94-01S (1994), CNWRA, San Antonio, Texas 77-95
150. A-111. O'Day P.A. Free energies of adsorption of divalent metal ions on quartz. GSA abstracts with programs 26, 1994 Annual Meeting (1994), Geological Society of America, Boulder, Colorado
151. Regazzoni A.E., Blesa M.A., and Maroto A.J.G. Interfacial properties of zirconium dioxide and magnetite. Journal of Colloid and Interface Science 91 (1983) 560
152. NEA No. 5992. Davis J.A., Ochs M., Olin M., Payne T.E., and Tweed C.J. NEA Sorption Project Phase II: Interpretation and prediction of radionuclide sorption onto substrates relevant for radioactive waste disposal using thermodyna models (2005), Nuclear Energy Agency, Organization for Economic Co-Operation and Development, Paris, France