Molecular dynamics simulation of the cation motion upon adsorption of CO2 in Faujasite zeolite systems

Journal of Physical Chemistry B

Volumn 110, Issue 29, 2006, Pages 14372-14378

  Plant, D F ^a   Maurin, G ^a   Jobic, H ^b   Llewellyn, P L ^c  

^a UNIV MONTPELLIER   (France)

^b CNRS   (France)

^c AIX MARSEILLE UNIVERSITY   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; COMPUTER SIMULATION; DIFFUSION; MOLECULAR DYNAMICS; POSITIVE IONS; ZEOLITES;

CATION MOTION; DIFFUSIVITY MEASUREMENTS; FAUJASITE ZEOLITE SYSTEMS; MIGRATION MECHANISM;

CARBON DIOXIDE;

EID: 33746870759     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp062381u     Document Type: Article

References (44)

1. Kikuchi, R. Energy Environ. 2003, 14 (4), 383.
2. Meier, W. M.; Olson, D. H. Atlas of Zeolite Structures, in Structure Commission of the International Zeolite Association; Elsevier: Amsterdam, 1978.
3. Siriwardane, R. V.; Shen, M. S.; Fisher, E. P.; Poston, J. A.; Energy Fuels 2001, 15, 279.
4. Goj, A.; Sholl, D. S.; Akten, E. D.; Kohen, D. J. Phys. Chem. B 2002, 106, 8367.
5. Maurin, G.; Llewellyn, P. L.; Poyet, Th.; Kuchta, B. J. Phys. Chem. B. 2005, 109, 125.
6. Savitz, S.; Myers, A. L.; Gorte, R. J. Microporous Mesoporous Mater. 2000, 37, 33.
7. Siriwardane, R. V.; Shen, M. S.; Fisher, E. P.; Poston, J. A.; Energy Fuels 2001, 15, 279.
8. Jacobs, P. A.; Van Santen, R. A. Stud. Surf. Sci. Catal A and B 1989, 49.
9. Ruthven, D. M.; Shamasuzzaman, F.; Knaebel, K. S. Pressure Swing Adsorption; VCH Publishers: New York, 1994.
10. Harlick, P. J. E.; Handan Tezel, F. Microporous Mesoporous Mater. 2004, 76, 71.
11. Bosch, E.; Huber, S.; Weitkamp, J.; Knozinger, H. Phys. Chem. Chem. Phys. 1999, 1, 579.
12. Calero, S.; Dubbeldam, D.; Krishna, R.; Smit, B.; Vlugt, T. J. H.; Denayer, J. F. M.; Martens, J. A.; Maesen, T. L. M. J. Am. Chem. Soc. 2004, 126, 11377.
13. Maurin, G.; Bell, R.; Devautour, S.; Giuntini, J. C.; Kenn, F. J. Phys. Chem. B 2004, 108, 3739.
14. Devautour, S.; Abdoulaye, A.; Giuntini, J. C.; Henn, F. J. Phys. Chem. B 2001, 105, 9297.
15. Beauvais, C.; Boutin, A.; Fuchs, A. H. Chem. Phys. Chem. 2004, 5, 1791.
16. Norby, P.; Poshni, F. I.; Gualtieri, A. F.; Hanson, J. C.; Grey, C. J. Phys. Chem. B 1998, 102, 839.
17. Shirono, K.; Endo, A.; Daiguji, H. J. Phys. Chem. B 2005, 109, 3446.
18. Pichon, C.; Palancher, H.; Lynch, J.; Hordeau, J. L.; Berar, J. F. Stud. Surf. Sci. Catal. A and B 2005, 158, 789.
19. Faux, D. A. J. Phys. Chem. B 1998, 102, 10658.
20. Lee, Y.; Vogt, T.; Hriljac, J. A.; Panse, J. B.; Hanson, J. C.; Kim, S. J. Nature 2002, 420, 485.
21. Grey, C. P.; Poshni, F. I.; Gualtieri, F.; Norby, P.; Hanson, J. C.; Corbin, D. R. J. Am. Chem. Soc. 1997, 119, 1981.
22. Sanchez-Sanchez, M.; Blasco, T.; Rey, F. Phys. Chem. Phys. Chem. 1999, 7, 4529.
23. Mellot-Draznieks, C.; Rodriguez-Carvajal, J.; Cox, D. E.; Cheetham, A. K. Phys. Chem. Chem. Phys. 2003, 5, 1882.
24. Jaramillo, E.; Grey, C. P.; Auerbach, S. M. J. Phys. Chem. B 2001, 105, 12319.
25. Ramsahye, N. A.; Bell, R. G. J. Phys. Chem. B 2005, 109, 4738.
26. Plant, D. F.; Jobic, H.; Llewellyn, P. L.; Maurin, G. J. Phys. IV, in press.
27. Plant, D. F.; Jobic, H.; Llewellyn, P. L.; Maurin, G. Manuscript submitted for publication.
28. Kärger J.; Pfeifer, H.; Stallmach F.; Feoktistova N. N.; Zhdanov S. P. Zeolites 1993, 13, 50.
29. Maurin G.; Llewellyn P. L.; Bell, R. G. J. Phys. Chem. B 2005, 109, 16084.
30. Dunne, J. A.; Mariwala, R.; Rao, M.; Sircar, S.; Gorte, J.; Myers, A. L. Langmuir 1996, 12, 5888.
31. Khelifa, A.; Derriche, Z.; Bengueddach, A. Microporous Mesoporows Mater. 1999, 32, 199.
32. Shen, D.; Bülow, M. Micropor. Mesopor. Mater. 1998, 22, 237.
33. Lowenstein, W. Am. Mineral. 1954, 39, 92.
34. Fitch, A. N.; Jobic, H.; Renouprez, A. J. Phys. Chem. 1986, 90, 1311.
35. Zhu; L., Seff; K. J. Phys. Chem. B 1999, 103, 9512.
36. Gale, J. D.; J. Chem. Soc., Faraday Trans. 1997, 93, 629.
37. Cerius2 v. 4.2; Accelrys, Inc.: San Diego, 1999.
38. Maurin, G.; Bell, R. G.; Kuchta, B.; Llewellyn, P. L.; Poyet, Th. Adsorption 2005, 11, 331.
39. Plant, D. F.; Maurin, G.; Deroche, I.; Llewellyn, P. L. Microporous Mesoporous Mater., submitted for publication.
40. Smith, W.; Forester, T. R. J. Mol. Graphics 1996, 14, 136.
41. Frenkel, D.; Smit, B. Understanding Molecular Simulation; Academic Press: New York, 1996.
42. Maurin, G.; Plant, D. F.; Bell, R. G. J. Phys. Chem. B, in press.
43. Devautour-Vinot, S. et al. Manuscript in preparation.
44. Plant, D.; Deroche, I.; Gaberova, L.; Llewellyn, P. L.; Maurin, G. Chem. Phys. Lett., in press.