Salt exclusion in charged porous media: A coarse-graining strategy in the case of montmorillonite clays

Physical Chemistry Chemical Physics

Volumn 11, Issue 12, 2009, Pages 2023-2033

  Jardat, Marie ^a,b   Dufrêche, Jean François ^a,b   Marry, Virginie ^a,b   Rotenberg, Benjamin ^a,b   Turq, Pierre ^a,b  

^a SORBONNE UNIVERSITÉ   (France)

^b CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 62349142570     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b818055e     Document Type: Article

References (60)

1. ANDRA, Évaluation de la Faisabilité du Stockage Géologique en Formation Argileuse, Dossier 2005 Argile: Synthèse, Châtenay-Malabry, France, 2005
2. M. Bradbury, and B. Baeyens, Near Field Sorption Data Bases for Compacted MX-80 Bentonite for Performance Assessment of a High-Level Radioactive Waste Repository in Opalinus Clay Host Rock, Paul Scherrer Institut, Switzerland, 2003
3. M. Dubois, T. Zemb, L. Belloni, A. Delville, P. Levitz, R. Setton J. Chem. Phys., 1992, 96, 2278.
4. R. Qiao, N. Aluru J. Chem. Phys., 2003, 118, 4692.
5. R. Qiao, N. Aluru International J. Multi. Comp. Eng., 2004, 188, 173.
6. S. Joseph, N. Aluru Langmuir, 2006, 22, 9041.
7. D. Horinek, R. Netz Phys. Rev. Lett., 2007, 99, 226104.
8. N. Skipper, K. Refson, J. McConnell Clay Miner., 1989, 24, 411.
9. F.-R. Chang, N. Skipper, G. Sposito Langmuir, 1995, 11, 2734.
10. F.-R. Chang, N. Skipper, G. Sposito Langmuir, 1997, 13, 2074.
11. D. Smith Langmuir, 1998, 14, 5959.
12. G. Sposito, N. T. Skipper, R. Sutton, S. H. Park, A. K. Soper, J. A. Greathouse Proc. Natl. Acad. Sci. U. S. A., 1999, 96, 3358.
13. E. Ferrage, B. Lanson, N. Malikova, A. Plancon, B. Sakharov, V. Drits Chem. Mater., 2005, 17, 3499.
14. E. Boek, P. Coveney, N. Skipper J. Am. Chem. Soc., 1995, 117, 12608.
15. D. Young, D. Smith J. Phys. Chem. B, 2000, 104, 9163.
16. H. Whitley, D. Smith J. Chem. Phys., 2004, 120, 5387.
17. X.-D. Liu, X.-C. Lu Angew. Chem., Int. Ed., 2006, 45, 6300.
18. E. Hensen, T. Tambach, A. Bliek, B. Smit J. Chem. Phys., 2001, 115, 3322.
19. T. Tambach, P. Bolhuis, B. Smit Angew. Chem., Int. Ed., 2004, 43, 2650.
20. T. Tambach, P. Bolhuis, E. Hensen, B. Smit Langmuir, 2006, 22, 1223.
21. R. Sutton, G. Sposito J. Colloid Interface Sci., 2001, 237, 174.
22. V. Marry, P. Turq, T. Cartailler, D. Levesque J. Chem. Phys., 2002, 117, 3454.
23. V. Marry, P. Turq J. Phys. Chem. B, 2003, 107, 1832.
24. N. Malikova, V. Marry, J.-F. Dufrêche, C. Simon, P. Turq, E. Giffaut Mol. Phys., 2004, 102, 1965.
25. N. Malikova, V. Marry, J.-F. Dufrêche, P. Turq Curr. Opin. Colloid Interface Sci., 2004, 9, 124.
26. N. Malikova, A. Cadène, V. Marry, E. Dubois, P. Turq, J.-M. Zanotti, S. Longeville Chem. Phys., 2005, 317, 226.
27. N. Malikova, A. Cadène, V. Marry, E. Dubois, P. Turq J. Phys. Chem. B, 2006, 110, 3206.
28. R. de Carvalho, N. Skipper J. Chem. Phys., 2001, 114, 3727.
29. J. A. Greathouse, R. T. Cygan Phys. Chem. Chem. Phys., 2005, 7, 3580.
30. B. Rotenberg, V. Marry, R. Vuilleumier, N. Malikova, C. Simon, P. Turq Geochim. Cosmochim. Acta, 2007, 71, 5089.
31. G. W. Brindley, and G. Brown, Crystal Structures of Clay Minerals and their X-Ray Identification, Mineralogical Society, London, 1980
32. E. Maegdefrau, U. Hoffman Z. Kristallogr. Kristallgeom. Kristallphys. Kristallchem., 1937, 98, 299.
33. J. Barthel, H. Krienke, and W. Kunz, Physical Chemistry of Electrolyte Solutions, Springer, 1998
34. J.-F. Dufrêche, O. Bernard, S. Durand-Vidal, P. Turq J. Phys. Chem. B, 2005, 109, 9873.
35. A. R. Altenberger, H. L. Friedman J. Chem. Phys., 1983, 78, 4162.
36. J.-F. Dufrêche, M. Jardat, T. Olynyk, O. Bernard, P. Turq J. Chem. Phys., 2002, 117, 3804.
37. H. Berendsen, J. Grigera, T. Straatsma J. Phys. Chem., 1987, 91, 6269.
38. S. Koneshan, C. Rasaiah, R. Lynden-Bell, S. Lee J. Phys. Chem. B, 1998, 102, 4193.
39. V. Marry, B. Rotenberg, P. Turq Phys. Chem. Chem. Phys., 2008, 10, 4802.
40. D. Frenkel, and B. Smit, Understanding Molecular Simulations, From Algorithms to Applications, Academic Press, 2002
41. D. L. Ermak J. Chem. Phys., 1975, 62, 4189.
42. P. J. Rossky, J. D. Doll, H. L. Friedman J. Chem. Phys., 1978, 69, 4628.
43. M. Jardat, O. Bernard, P. Turq, G. R. Kneller J. Chem. Phys., 1999, 110, 7993.
44. M. Jardat, P. Turq Z. Phys. Chem., 2004, 218, 699.
45. J.-F. Dufrêche, M. Jardat, P. Turq, B. Bagchi J. Phys. Chem. B, 2008, 112, 10264.
46. Ed. D. Henderson, Fundamentals of Inhomogeneous Fluids, Dekker, 1992
47. R. Evans Adv. Phys., 1979, 28, 143.
48. J.-P. Hansen, H. Löwen Annu. Rev. Phys. Chem., 2000, 51, 209.
49. H. Löwen, J.-P. Hansen, P. A. Madden J. Chem. Phys., 1993, 98, 3275.
50. W. Ebeling, K. Scherwinsky Z. Phys. Chem. (Leipzig), 1983, 264, 1.
51. L. Blum Mol. Phys., 1975, 30, 1529.
52. L. Blum, J. S. Høye J. Phys. Chem., 1977, 81, 1311.
53. M. Parrinello, M. P. Tosi Chem. Phys. Lett., 1979, 64, 579.
54. T. Alts, P. Nielba, B. d’Aguanno, F. Forstmann Chem. Phys., 1987, 111, 223.
55. J.-P. Hansen J. Phys. C: Solid State Phys., 1981, 14, L151.
56. J.-F. Dufrêche, O. Bernard, P. Turq J. Chem. Phys., 2002, 116, 2085.
57. V. Marry, J.-F. Dufrêche, M. Jardat, P. Turq Mol. Phys., 2003, 101, 3111.
58. V. Marry, J.-F. Dufrêche, M. Jardat, G. Mériguet, P. Turq, Grün Colloids Surf., A, 2003, 222, 147.
59. P. Porion, A.-M. Faugère, A. Delville J. Phys. Chem. B, 2008, 112, 11893.
60. B. Abecassis, C. Cottin-Bizonne, C. Ybert, A. Adjari, L. Bocquet Nat. Mater., 2008, 7, 785.