Diffusion of pure CH4 and its binary mixture with CO2 in faujasite nay: A combination of neutron scattering experiments and molecular dynamics simulations

Journal of Physical Chemistry C

Volumn 114, Issue 11, 2010, Pages 5027-5034

  Deroche I ^a   Maurin, G ^a   Borah, B J ^b   Yashonath, S ^b   Jobic, H ^c  

^a UNIVERSITÉ DE MONTPELLIER   (France)

^b INDIAN INSTITUTE OF SCIENCE   (India)

^c UNIVERSITÉ DE LYON   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CLASSICAL MOLECULAR DYNAMICS; DIFFUSION MECHANISMS; FAUJASITES; MICROSCOPIC MODELS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR INSIGHTS; NAY ZEOLITE; NEUTRON SCATTERING EXPERIMENTS; QUASIELASTIC NEUTRON SCATTERING; SELF-DIFFUSION; SELF-DIFFUSIVITY; UNIT CELLS;

BINARY MIXTURES; DIFFUSION; MOLECULAR DYNAMICS; NEUTRON DIFFRACTION; NEUTRON SCATTERING;

DYNAMICS;

EID: 77949833948     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp910863z     Document Type: Article

References (42)

1. Yang, R. T. Gas Separation by Adsorption Processes; Imperial College Press: London, 1997.
2. Datta, A. K.; Sen, P. K. J. Membr. Sci. 2006, 283, 291.
3. Ahluwalia, R. K.; Wang, X. J. Power Sources 2008, 180, 122.
4. Pettersen, T.; Lien, K. M. Gas Sep. Purif. 1995, 9, 151.
5. Weh, K.; Noack, M.; Sieber, I.; Caro, J. Microporous Mesoporous Mater. 2002, 54, 27.
6. Hasegawa, Y.; Tanaka, T.; Watanabe, K. Korean J. Chem. Eng. 2002, 19, 309.
7. Kusakabe, K.; Kuroda, T.; Murata, A.; Morooka, S. Ind. Eng. Chem. Res. 1997, 36, 649.
8. Plant, D. F.; Jobic, H.; Llewellyn, P. L.; Maurin, G. Eur. Phys. J. 2007, 141, 127.
9. Papadopoulos, G. K.; Jobic, H.; Theodorou, D. N. J. Phys. Chem. B 2004, 108, 12748.
10. Kärger, J.; Pfeifer, H.; Rauscher, M.; Walter, A. J. Chem. Soc., Faraday Trans. 1 1980, 76, 717.
11. Kärger, J.; Pfeifer, H. Zeolites 1987, 7, 90.
12. Jobic, H.; Bée, M.; Kearley, G. J. J. Phys. Chem. 1994, 98, 4660.
13. Krishna, R.; van Baten, J. M. Chem. Eng. Technol. 2006, 29, 1429.
14. Krishna, R.; van Baten, J. M. Chem. Eng. Technol. 2007, 30, 1235.
15. Dubbeldam, D.; Calero, S.; Vlught, T. J. S.; Krishna, R.; Maesen, T. L. M.; Smit, B. J. Phys. Chem. B 2004, 108, 12301.
16. Beerdsen, E.; Dubbeldam, D.; Smit, B. J. Phys. Chem. B 2006, 110, 22754.
17. Yashonath, S.; Demontis, P.; Klein, M. L. J. Phys. Chem. 1991, 95, 5881.
18. Meinender, N.; Tabisz, G. C. J. Chem. Phys. 1983, 79, 416.
19. Ghorai, P. K.; Sluiter, M.; Yashonath, S.; Kawazoe, Y. Solid State Sci. 2006, 8, 248.
20. Krishna, R.; van Baten, J. M.; Garcia-Perez, E.; Calero, S. Ind. Eng. Chem. Res. 2007, 46, 2974.
21. Krishna, R.; van Baten, J. M. Microporous Mesoporous Mater. 2008, 109, 91.
22. Ghoufi, A.; Gaberova, L.; Rouquerol, J.; Vincent, D.; Llewellyn, P. L.; Maurin, G. Microporous Mesoporous Mater. 2009, 119, 117.
23. Fitch, A. N.; Jobic, H.; Renouprez, A. J. Phys. Chem. B 1986, 90, 1311.
24. Maurin, G.; Llewellyn, P. L.; Bell, R. B. J. Phys. Chem. B 2005, 109, 16084.
25. Maurin, G.; Bourrelly, S.; Llewellyn, P. L.; Bell, R. B. Microporous Mesoporous Mater. 2006, 89, 96.
26. Rosenbach, N.; Jobic, H.; Ghoufi, A.; Salles, F.; Maurin, G.; Bourrelly, S.; Llewellyn, P. L.; Devic, T.; Serre, C.; Férey, G. Angew. Chem., Int. Ed. 2008, 47, 6611.
27. Harris, J. G.; Yung, K. H. J. Phys. Chem. 1995, 99, 12021.
28. Cerius2 V. 4.0; Accelrys Inc.: San Diego, CA,1999.
29. Nicholson, D.; Parsonage, N. G. Computer simulation and the statistical mechanics of adsorption; Academic Press: London, 1982.
30. Smith, W.; Forester, T. R. J. Mol. Graphics 1996, 14, 136.
31. Frenkel, D.; Smit, B. Understanding Molecular Simulation; Academic Press: New York, 1996.
32. Jobic, H.; Theodorou, D. Microporous Mesoporous Mater. 2007, 102, 21.
33. Skoulidas, A. I.; Sholl, D. S. J. Phys. Chem. B 2002, 106, 5058
34. Jobic, H. Microporous Mesoporous Mater. 2002, 55, 159.
35. Caro, J.; Bülow, M.; Schirmer, W.; Kärger, J.; Heink, W.; Pfeifer, H.; Zdanov, S. P. J. Chem. Soc., Faraday Trans. 1 1985, 81, 2541.
36. Demontis, P.; Jobic, H.; Gonzales, M. A.; Suffritti, G. B. J. Phys. Chem. C 2009, 113, 12373.
37. Plant, D. F.; Maurin, G.; Bell, R. G. J. Phys. Chem. B 2006, 110, 15926.
38. Grenier, P.; Meunier, F.; Gray, P. G.; Karger, J.; Xu, Z.; Ruthven, D. M. Zeolites 1994, 14, 242.
39. Bhide, S. Y.; Yashonath, S. J. Phys. Chem. B 2000, 104, 2607.
40. Papadopoulos, G. K.; Theodorou, D. N. Mol. Simul. 2009, 35, 79.
41. Plant, D. F.; Maurin, G.; Déroche, I.; Gaberova, L.; Llewellyn, P. L. Chem. Phys. Lett. 2006, 426 (4-6), 387.
42. Plant, D. F.; Maurin, G.; Jobic, H.; Llewellyn, P. L. J. Phys. Chem. B 2006, 110, 14372.