Reactive transport model of interactions of corrosion products and bentonite

Physics and Chemistry of the Earth

Volumn 33, Issue SUPPL. 1, 2008, Pages

  Samper, Javier ^a   Lu, Chuanhe ^a   Montenegro, Luis ^a  

^a UNIVERSITY OF A CORUÑA   (Spain)

Author keywords

Bentonite; Canister corrosion; Corrosion products; Granite; Numerical model; Reactive transport

Indexed keywords

BENTONITE; CALCITE; CARBONATE MINERALS; DISSOLUTION; FLOW INTERACTIONS; GRANITE; IRON; IRON ORES; MAGNETITE; MINERALS; OXIDE MINERALS; RADIOACTIVE WASTE DISPOSAL; RADIOACTIVE WASTES; SOLUTE TRANSPORT; TWO DIMENSIONAL; WASTE DISPOSAL;

AXISYMMETRIC; CANDIDATE MATERIALS; CANISTER CORROSION; COMPACTED BENTONITES; CORROSION PRODUCTS; DEEP GEOLOGICAL REPOSITORIES; DISTRIBUTION COEFFICIENTS; HYDROCHEMICAL EVOLUTIONS; NEAR FIELDS; NUCLEAR WASTE DISPOSALS; NUMERICAL MODEL; ORDERS OF MAGNITUDES; OVERPACK; REACTIVE SOLUTE TRANSPORT MODELS; REACTIVE TRANSPORT; REACTIVE TRANSPORT MODELS; SURFACE COMPLEXATION; WATER FLOWS;

CORROSION;

BENTONITE; CONCENTRATION (COMPOSITION); CORROSION; DISSOLUTION; GRANITE; NUMERICAL MODEL; PH; POREWATER; POROSITY; PRECIPITATION (CHEMISTRY); RADIOACTIVE WASTE; REACTIVE TRANSPORT; REPOSITORY; SOLUTE TRANSPORT; WASTE DISPOSAL;

EID: 55949133728     PISSN: 14747065     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.pce.2008.10.009     Document Type: Article

References (77)

1. Alonso, J., Font, I., Cormenzana, J.L., 2005. Mass balance and energy flows calculations. NF-PRO Deliverable (D5.1.2). ENRESA Contribution. NF-PRO Project.
2. Anantatmula R.P., Delegard C.H., and Duncan D.R. Corrosion behaviour of low-carbon steel in groundwater-basalt-bentonite mixtures at 250 °C. Nuclear and Chemical Waste Management 7 (1987) 167-173
3. BENIPA, 2003. Final report of Benipa project: bentonite barriers in integrated performance assessment. Report of the European Commission, EUR 21023.
4. Bildstein O., Trotignon L., Perronnet M., and Jullien M. Modelling iron-clay interactions in deep geological disposal conditions. Physics and Chemistry of the Earth 31 (2006) 618-625
5. Blengino J.M., Keddam M., Labbe J.P., and Robiola L. Physicochemical characterisation of corrosion layers formed on iron formed in a sodium carbonate/bicarbonate containing environment. Corrosion Science 37 (1995) 621-643
6. Bradbury M.H., and Baeyens B. A mechanistic description of Ni and Zn sorption on Na-montmorillonite. Part II: modelling. Journal of Contaminant Hydrology 27 (1997) 223-248
7. Bradbury M.H., and Baeyens B. Porewater chemistry in compacted re-saturated MX-80 bentonite. Journal of Contaminant Hydrology 61 (2003) 329-338
8. Carlson L., Karnland O., Oversby V.M., Rance A.P., Smart N.R., Snellman M., Vähänen M., and Werme L.O. Experimental studies of the interactions between anaerobically corroding iron and bentonite. Physics and Chemistry of the Earth 32 (2007) 334-345
9. Collin F., Li X.L., Radu J.P., and Chalier R. Thermohydro-mechanical coupling in clay barriers. Engineering Geology 64 (2002) 179-193
10. Combarieu G., Barboux P., and Minet Y. Iron corrosion in callovo-oxfordian argilite: from experiments to thermodynamic/kinetic modelling. Physics and Chemistry of the Earth 32 (2007) 346-358
11. Dai, Z., Samper, J., 2004. Inverse problem of multicomponent reactive chemical transport in porous media: formulation and applications. Water Resources Research 40, W07407. doi:10.1029/2004WR003248.
12. Dai Z., and Samper J. Inverse modeling of water flow and multicomponent reactive transport in coastal aquifer systems. Journal of Hydrology 327 3-4 (2006) 447-461
13. Dai Z., Samper J., and Ritzi R. Identifying geochemical reactions processes by inverse modeling of multicomponent reactive transport in aquia aquifer. Geosphere 4 4 (2006) 210-219
14. Debruyn, W., Dresselaers, J., Vermeiren, P.H., Kelchtermans, J., Tas, H., 1991. Corrosion of container and infrastructure materials under clay repository conditions. Report CEC EUR-13667 EN. SCK-CEN. p. 129.
15. Drissi S.H., Refait Ph., Abdelmoula M., and Génin J.M.R. The preparation and thermodynamic properties of Fe(II)-Fe(III) hydroxide carbonate (green rust 1); pourbaix diagram of iron in carbonate-containing aqueous media. Corrosion Science 37 (1995) 2025-2041
16. ENRESA, 2000. Evaluación del comportamiento. Cálculo del transporte de radionucleidos en el campo cercano. ENRESA Tech. Report (in Spanish).
17. ENRESA, 2005. NF-PRO project. Phenomenological description. Reference Concept (Spent Fuel-Carbon Steel Canister-bentonite-Granite). Deliverable D5.1.1. Part 1. Final Version.
18. ENRESA, 2006. FEBEX: updated final report 1994-2004. ENRESA Technical Publication PT 05-0/2006.
19. Fernández A.M., Cuevas J., and Rivas P. Pore water chemistry of the FEBEX bentonite. Material Research Society Symposium Proceedings 663 (2001) 573-588
20. Fernández A.M., Baeyens B., Bradbury M., and Rivas P. Analysis of the pore water chemical composition of a Spanish compacted bentonite used in an engineered barrier. Physics and Chemistry of the Earth 29 (2004) 105-118
21. 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) 714-718
22. Galíndez J.M., Molinero J., Samper J., and Yang C.B. Simulating concrete degradation processes by reactive transport models. Journal Physics IV France 136 (2006) 177-188
23. Génin J.R.M., Olowe A.A., Refait Ph., and Simon L. On the stoichiometry and Pourbaix diagram of Fe(II)-Fe(III) hydroxy-sulphate or sulphate containing green rust: 2. An electrochemical and Mössbauer spectroscopy study. Corrosion Science 38 (1996) 1751-1762
24. Gérard F., Clement A., and Fritz B. Numerical validation of a eulerian hydrochemical code using a 1D multisolute mass transport system involving heterogeneous kinetically controlled reactions. Journal of Contaminant Hydrology 30 (1998) 201-216
25. Gens A., Guimaraes L., Do N., Garcia-Molina A., and Alonso E.E. Factors controlling rock-clay buffer interaction in a radioactive waste repository. Engineering Geology 64 (2002) 297-308
26. Grauer R., Knecht B., Kreis P., and Simpson J.P. Hydrogen evolution from corrosion of iron and steel in intermediate level waste repositories. Material Research Society Symposium Proceedings 212 (1991) 295-302
27. Hökmark H., Karnland O., and Pusch R. A technique for modeling transport/conversion processes applied to smectite-toillite conversion in HLW buffers. Engineering Geology 47 (1997) 367-378
28. Honda A., Teshima T., Tsurudome K., Ishikawa H., Yusa Y., and Sasaki N. Effect of compacted bentonite on the corrosion behaviour of carbon steel as geological isolation overpack. Material Research Society Symposium Proceedings 212 (1991) 287-294
29. Johnson, L.H., Smith, P.A., 2000. The interaction of radiolysis products and canister corrosion products and the implications for spent fuel dissolution and radionuclide transport in a repository for spent fuel. NAGRA Technical Report NTB-00-04.
30. Jullien M., Kohler E., Raynal J., and Bildstein O. Physicochemical reactivity in clay-rich materials: tools for safety assessment. Oil Gas Science Technology Review IFP 60 1 (2005) 107-120
31. Kälvenius G., and Ekberg C. TACK - a program coupling chemical kinetics with a two-dimensional transport model in geochemical systems. Computational Geosciences 29 (2003) 511-521
32. Keijzer Th.J.S., Kleingeld P.J., and Loch J.P.G. Chemical osmosis in compacted clayed material and the prediction of water transport. Engineering Geology 53 (1999) 151-159
33. Le Gallo Y., Bildtein O., and Brosse E. Coupled reaction-flow modeling of diagenic changes in reservoir permeability, porosity and mineral compositions. Journal of Hydrology 209 (1998) 366-388
34. Legrand L., Savoye S., Chausse A., and Messina R. Study of oxidation products formed on iron in solutions containing bicarbonate/carbonate. Electrochimica Acta 46 (2000) 111-117
35. Malisis M.A., and Shackelford C.D. Theory for reactive solute transport through clay membrane barriers. Journal of Contaminant Hydrology 59 (2002) 291-316
36. Marsh G.P., and Taylor K.J. An assessment of carbon steel containers for radioactive waste disposal. Corrosion Science 28 (1988) 289-320
37. McKinley, I.G., 1989. The near-field geochemistry of HLW dipsosal in an argillaceous host rock. NAGRA Technical Report NTB-88-26.
38. Missana T., Turrero M.J., and Adell A. Surface charge and electrophoretic properties of colloids obtained from homoionic and natural bentonite. Material Research Society Symposium Proceedings 608 (1999) 255-266
39. Miyata S. Anion-exchange properties of hydrotalcite-like compounds. Clays and Clay Minerals 31 (1983) 305-311
40. Molinero J., and Samper J. Groundwater flow and solute transport in fracture zones: an improved model for a large-scale field experiment at Äspö (Sweden). Journal of Hydraulic Research 42 (2004) 157-172
41. Molinero J., and Samper J. Modeling of reactive solute transport in fracture zones of granitic bedrocks. Journal of Contaminant Hydrology 82 (2006) 293-318
42. Molinero J., Samper J., Zhang G., and Yang C. Biogeochemical reactive transport model of the redox zone experiment of the Äspö hard rock laboratory in Sweden. Nuclear Technology 148 (2004) 151-165
43. Montes-H G., Fritz B., Clement A., and Michau N. Modeling of transport and reaction in an engineered barrier for radioactive waste confinement. Applied Clay Science 29 (2005) 155-171
44. Montes-H G., Marty N., Fritz B., Clement A., and Michau N. Modeling of long-term diffusion-reaction in a bentonite barrier for radioactive waste confinement. Applied Clay Science 30 (2005) 181-198
45. Parkhurst, D.L., Appelo, C.A.J., 1999. 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. US Department of the Interior, US Geological Survey, Denver, Colorado.
46. Poinssot C., and Toulhoat P. Chemical interaction between a simulated nuclear waste glass and different backfill materials under a thermal gradient. Applied Geochemistry 13 (1998) 715-734
47. Refait Ph., Drissi S.H., Pytkiwicz J., and Génin J.M.R. The anionic species competition in iron aqueous corrosion: role of various green rust compounds. Corrosion Science 39 (1997) 1699-1710
48. Samper J., and Yang C. Stochastic analysis of transport and multicomponent competitive monovalent cation exchange in aquifers. Geosphere 2 (2006) 102-112
49. Samper, J., Yang, C., Montenegro, L., 2003a. CORE2D version 4: a code for non-isothermal water flow and reactive solute transport. Users Manual. University of La Coruña, Spain.
50. Samper, J., Molinero, J., Yang, C., Zhang, G., 2003b. Redox Zone II: coupled modeling of groundwater flow, solute transport, chemical reactions and microbial processes in the Äspö Island. SKB Technical Report TR-03-16.
51. Samper J., Zhang G., and Montenegro L. Coupled microbial and geochemical reactive transport models in porous media: formulation and application to synthetic and in situ experiments. Journal of Iberian Geology 32 2 (2006) 215-231
52. Samper J., Dai Z., Molinero J., Garcia-Gutierrez M., Missana T., and Mingarro M. Inverse modeling of tracer experiments in FEBEX compacted Ca-bentonite. Physics and Chemistry of the Earth, Parts A/B/C 31 10-14 (2006) 640-648
53. Samper, J., Yang, Ch., Montenegro, L., Bonilla, M., Lu, C., Yang, Q., Zheng, L., 2007. Mass and energy balance and flux calculations for radionuclide release and geochemical evolution for SF carbon steel HLW repositories in clay and granite. NF-PRO Project, Deliverable D5.1.13. University of A Coruña, Spain.
54. Samper J., Zheng L., Montenegro L., Fernández A.M., and Rivas P. Coupled thermo-hydro-chemical models of compacted bentonite after FEBEX in situ test. Applied Geochemistry 23/5 (2008) 1186-1201 10.1016/j.apgeochem.2007.11.010
55. Samper J., Zheng L., Fernández A.M., and Montenegro L. Inverse modeling of multicomponent reactive transport through single and dual porosity media. Journal of Contaminant Hydrology 98 (2008) 115-127 10.1016/j.jconhyd.2008.03.008
56. Samper J., Dewonck S., Zheng L., Yang Q., and Naves A. Normalized sensitivities and parameter identifiability of in situ DIR diffusion experiments on Callovo-Oxfordian clay at Bure site. Physics and Chemistry of the Earth 33 12-13 (2008) 1000-1008
57. Savage D., Noy D., and Mihara M. Modelling the interaction of bentonite with hyperalkaline fluids. Applied Geochemistry 17 (2002) 207-223
58. Shoesmith D.W., Kolar M., and King F. A mixed-potential model to predict fuel (uranium dioxide) corrosion within a failed nuclear waste canister. Corrosion 59 (2003) 802-816
59. Smart, N.R., Blackwood, D.J., Werme, L., 2001. The anaerobic corrosion of carbon steel and cast iron in artificial groundwater. SKB Technical Report TR-01-22.
60. Smart, N.R., Carlson, L., Hunter, F.M.I., Karnland, O., Pritchard, A.M., Rance, A.P., Werme, L.O., 2006. Interactions between iron corrosion products and bentonite. NF-PRO Report WP2.3/D2.3.5.
61. Steefel, C.I., 2001. CRUNCH: software for modeling multicomponent, multidimensional reactive transport - User's Guide. Lawrence Livermore National Lab. Report UCRL-MA-143128. Livermore, CA, USA.
62. Tournassat, C., 2003. Cations-clay interactions: The Fe(II) case. Application to the problematic of the French deep nuclear repository field concept. Ph.D. Dissert, Grenoble, France.
63. Trotignon L., Didot A., Bildstein O., and Lagneau V. Numerical design of a 2-D clogging experiment in a porous medium. Oil Gas Science Technology - Review IFP 60 1 (2005) 107-120
64. Ulm F.J., Heukamp F.H., and Germaine J.T. Residual design strength of cement-based materials for nuclear waste storage systems. Nuclear Engineering and Design 211 (2002) 51-60
65. van der Lee, J., 1998. Thermodynamic and mathematical concepts of CHESS. Technical Report LHM/RD/98/39, CIG, Ecole des Mines de Paris, Fontainebleau, France, p. 99.
66. Vokál, A., Carlsson T., 2006. NF-PRO project. First report on corrosion products characteristics. Deliverable D2.3.1, Revision 1, July 2006.
67. Vopálka D., Filipská H., and Vokál A. Carbon steel canister performance assessment: iron transfer study. Material Research Society Symposium Proceedings 932 (2006) 983
68. Wersin P. Geochemical modelling of bentonite porewater in high-level waste repositories. Journal of Contaminant Hydrology 61 (2003) 405-422
69. Wolery, T.J., 1992. EQ3/6, a software package for geochemical modeling of aqueous systems: package overview and installation guide (version 7.0). Technical Report UCRL-MA-110662-Pt 1. Lawrence Livermore National Laboratory, CA, USA.
70. Xia X., Idemitsu K., Arima T., Inagaki Y., Ishidera T., Kurosawa S., Iijima K., and Sato H. Corrosion of carbon steel in compacted bentonite and its effect on neptunium diffusion under reducing condition. Applied Clay Science 28 (2005) 89-100
71. Xu T., Samper J., Ayora C., Manzano M., and Custodio E. Modelling of non-isothermal multi-component reactive transport in field-scale porous media flow system. Journal of Hydrology 214 (1999) 144-164
72. Xu T., Sonnenthal E., and Bodvarsson G. A reaction-transport model for calcite precipitation and evaluation of infiltration fluxes in unsaturated fractured rock. Journal of Contaminant Hydrology 64 (2003) 113-127
73. Yang C., Samper J., Molinero J., and Bonilla M. Modelling geochemical and microbial consumption of dissolved oxygen after backfilling a high level radioactive waste repository. Journal of Contaminant Hydrology 93 (2007) 130-148
74. Yang C., Samper J., and Montenegro L. A coupled non-isothermal reactive transport model for long-term geochemical evolution of a HLW repository in clay. Environmental Geology 53 (2008) 1627-1638
75. Yang C., Samper J., and Molinero J. Inverse microbial and geochemical reactive transport models in porous media. Physics and Chemistry of the Earth 33 12-13 (2008) 1026-1034
76. Zhang G., Samper J., and Montenegro L. Coupled thermo-hydro-bio-geochemical reactive transport model of the CERBERUS heating and radiation experiment in Boom clay. Applied Geochemistry 23 (2008) 932-949
77. Zheng L., Samper J., and Montenegro L. Inverse hydrochemical models of aqueous extracts tests. Physics and Chemistry of the Earth 33 (2008) 1009-1018 10.1016/j.pce.2008.05.012