Diffusion with micro-sorption in bentonite: Evaluation by molecular dynamics and homogenization analysis

Computational Mechanics

Volumn 37, Issue 4, 2006, Pages 369-380

  Prayongphan, Somchai ^a   Ichikawa, Yasuaki ^a   Kawamura, Katsuyuki ^b   Suzuki, Satoru ^c   Chae, Byung Gon ^d  

^a NAGOYA UNIVERSITY   (Japan)

^b TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

^c Nucl Chem/Chem Engineering Center   (Japan)

^d Korea Institute of Geosceince and Mineral Resources   (South Korea)

Author keywords

Bentonite; Cesium; Diffusion; Homogenization; Hydrated smectite; Micro sorption; Molecular dynamics

Indexed keywords

ADSORPTION; BENTONITE; CESIUM; CRYSTAL STRUCTURE; DIFFUSION; HYDRATION; RADIOACTIVITY;

HOMOGENIZATION; HYDRATED SMECTITE; MICRO-SORPTION; SORPTION CHEMISTRY;

MOLECULAR DYNAMICS;

EID: 29244439367     PISSN: 01787675     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00466-005-0676-3     Document Type: Conference Paper

References (29)

1. Auerbach SM, Carrado KA, Dutta PK, ed (2004) Handbook of Layered Materials, Marcel Dekker
2. Auriault JL, Lewanska J (1997) Effective diffusion coefficient: From homogenization to experiment. Trans Porous Media 27:205-223
3. Baeyens B, Bradbury M (1997) A mechanistic description of Ni and Zn sorption on Na-montmorillonite Part I: Titration and sorption measurement. J Contaminant Hydrology 27:199-222
4. Bear J, Vejjuijt A (1987) Modeling Groundwater Flow and Pollution, D.Reidel Pub
5. Clay Science Society of Japan (1987) Clay Handbook, Gihodoshuppan (in Japanese)
6. Cormenzana JL, Gutierrez MG, Missana T, Junghanns A (2003) Simulation estimation of effective and apparent diffusion coeffients in compacted bentonite. J Contaminant Hydrology 61:63-72
7. Greathouse JA, Refson K, Sposito G (2000) Molecular dynamics simulation of water mobility in magnesium-smectite hydrates. Am Chem Soc 122:11459-11464
8. Gutierrez GM, Missana T, Mingarro M, Samper J, Dai Z, Molinero J (2001) Solute transport properties of compacted Ca-bentonite used in FEBEX project. J Contaminant Hydrology 47:127-137
9. Inskeep WP, Baham J (1983) Adsorption of Cd(II) and Cu(II) by Na-montmorillonite at low surface coverage. Soil Sci Soc Am J 47: 660-665
10. Ito M, Okamoto M, Shibata M, Sasaki Y, Danhara T, Suzuki K, Watanabe T (1993) Mineral composition analysis of bentonite, Tech. Report of Power Reactor and Nuclear Fuel Development Co., PNC TN8430 93-003 (in Japanese)
11. Japan Nuclear Cycle Development Institute (JNC) (1999) Second Progress Report on Research and Development for Geological Disposal of High-level Waste in Japan
12. Kawamura K, Ichikawa Y (2001) Physical properties of clay minerals and water - By means of molecular dynamics simulations. Bull Earthq Res Inst., Univ. Tokyo, 76: 311-320
13. Leote de Carvalho RJF, Skipper NT (2001) Atomistic computer simulation of the clay-fluid interface in colloidal laponite. J Chem Phys 114(8): 3727-3733
14. Lowenthal MD (1997) Radioactive-Waste Classification in the United States: History and Current Predicaments, Center of Nuclear and Toxic Waste Management, Univ. California Berkeley
15. Maes A, Peigneur P, Cremers A (1976) Thermodynamics of transition metal ion exchange in montmorillonite. In: Bailey SW (ed) Proceedings of International Clay Conference, Mexico City, Appl Pulb pp. 319-329
16. Mitchell JK (1976) Fundamental of Soil Behavior, John Wiley & Sons
17. Nakano M, Kawamura K, Ichikawa Y (2003) Local structural information of Cs in smectite hydrates by means of an EXAFS study and molecular dynamics simulations. Appl Clay Sci 23: 25-23
18. Peigneur P, Maes A, Cremers A (1975) Heterogeniety of charge density distribution in montmorillonite as inferred from cobalt adsorption. Clays Clay Miner 23: 71-75
19. Pusch R (1994) Waste Disposal in Rock, Elsevier
20. Rouquerol F, Rouquerol J, Sing K (1999) Adsorption by Powers and Porous Solid, Academic Press
21. Robinson RA, Stokes RH (1970) Electrolyte Solutions, 2nd ed., Butterworth (Dover ed., 2002)
22. Salles J, Thovert JF, Delammay R, Prevors L, Auriault JL, Adler PM (1993) Taylor dispersion in porous media; Determination of the dispersion tensor. Phys Fluids A5(10): 2348-2376
23. Sanchez-Palencia E (1980) Non-Homogeneous Media and Vibration Theory, Lee. Notes in Phy. 127, Springer-Verlag, Berlin
24. Sposito G (1984) The Surface Chemistry of Soil, Oxford University Press
25. Tamamushi R (1991) Electrochemistry, 2nd ed., Tokyo Kagaku Dojin (in Japanese)
26. Terzaghi K (1943) Theoretical Soil Mechanics, Wiley
27. Yong RN, Boonsinsuk P, Yiotis D (1985) Creep behavior of a buffer material for nuclear fuel waste vault. Can Geotech J 22: 541-550
28. Zachara JM, Smith SC, Resch CT, Cowan CE (1993) Cadmium sorption on specimen and soil smectite in sodium and calcium electrolytes. Soil Sci Soc Am J 57: 1491-1501
29. Ziper C, Komarneni S, Baker DE (1988) Specific cadmium sorption in relation to the crystal chemistry of clay minerals. Soil Sci Soc Am J 52: 49-53