Predictive assessment of surface resistances in zeolite membranes using atomically detailed models

Journal of Physical Chemistry B

Volumn 109, Issue 15, 2005, Pages 7237-7244

  Newsome, David A ^a   Sholl, David S ^a  

^a CARNEGIE MELLON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBATES; EQUILIBRIUM MOLECULAR DYNAMICS (EMD); INTRARYSTALLINE DIFFUSION; MASS TRANSPORT RESISTANCE;

ADSORPTION; COMPUTER SIMULATION; DIFFUSION; ELECTRIC RESISTANCE; MOLECULAR DYNAMICS; NANOSTRUCTURED MATERIALS; POROUS MATERIALS; SURFACE PHENOMENA;

ZEOLITES;

EID: 18244365102     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp044247k     Document Type: Article

References (41)

1. Auerbach, S. M. Int. Rev. Phys. Chem. 2000, 19, 155.
2. Matsukata, M.; Kikuchi, E. Bull Chem. Soc. Jpn. 1997, 70, 2341.
3. Tsapatsis, M.; Vlachos, D. G.; Thompson, R.; Terasaki, O.; Kokkoli, E.; M., A.; Sujaoti, K.; Nery, J.; Diaz, I.; Bonilla, G.; Lai, Z. Science 2003, 300, 456.
4. Coronas, J.; Santamaria, J. Sep. Purif. Methods 1999, 28, 127.
5. Ahunbay, M. G.; Elliott, J. R.; Talu, O. J. Phys. Chem. B 2002, 106, 5163.
6. Pohl, P. I.; Heffelfinger, G. S. J. Membr. Sci. 1999, 155, 1.
7. Pohl, P. I.; Heffelfinger, G. S.; Smith, D. M. Mol. Phys. 1996, 89, 1725.
8. Takaba, H.; Koshita, R.; Mizukami, K.; Oumi, Y.; Ito, N.; Kubo, M.; Fahmi, A.; Miyamoto, A. J. Membr. Sci. 1997, 134, 127.
9. Martin, M. G.; Thompson, A. P.; Nenoff, T. M. J. Chem. Phys. 2001, 114, 7174.
10. Arya, G.; Chang, H. C.; Maginn, E. J. J. Chem. Phys. 2001, 115, 8112.
11. Arya, G.; Maginn, E. J.; Chang, H. C. J. Phys. Chem. B 2001, 105, 2725.
12. Sholl, D. S. Ind. Eng. Chem. Res. 2000, 39, 3737.
13. Bowen, T. C.; Falconer, J. L.; Noble, R. D.; Skoulidas, A. I.; Sholl, D. S. Ind. Eng. Chem. Res. 2002, 41, 1641.
14. Skoulidas, A. I.; Sholl, D. S. J. Phys. Chem. B 2002, 106, 5058.
15. Skoulidas, A. I.; Sholl, D. S. J. Phys. Chem. B 2003, 107, 10132.
16. Skoulidas, A. I.; Sholl, D. S.; Bowen, T. C.; Doelling, C.; Falconer, J. L.; Noble, R. D. J. Membr. Sci. 2003, 227, 123.
17. Ahunbay, M. G.; Elliott, J. R.; Talu, O. J. Phys. Chem. B 2004, 108, 7801.
18. Furakawa, S.; McCabe, C.; Nitta, T.; Cummings, P. T. Fluid Phase Equilib. 2002, 194-197, 309.
19. Mizukami, K.; Kobayashi, Y.; Morito, H.; Takami, S.; Kubo, M.; Belosludov, R.; Miyamoto, A. Jpn. J. Appl. Phys., Part I 2000, 39, 4385.
20. Furukawa, S.; Nitta, T. J. Chem. Eng. Jpn. 2003, 36, 313.
21. Cracknell, R. F.; Nicholson, D.; Quirke, N. Phys. Rev. Lett. 1995, 74, 2463.
22. MacElroy, J. M. D.; Boyle, M. J. Chem. Eng. J. 1999, 74, 85.
23. Murad, S.; Lin, J. Ind. Eng. Chem. Res. 2002, 41, 1076.
24. Maginn, E. J.; Bell, A. T.; Theodorou, D. N. J. Phys. Chem. B 1993, 97, 4173.
25. Zhang, Q.; Zheng, J.; Shevade, A.; Zhang, L.; Gehrke, S.; Heffelfinger, G. S.; Jiang, S. J. Chem. Phys. 2002, 117, 808.
26. Xu, L. F.; Tsotsis, T. T.; Sahimi, M. J. Chem. Phys. 1999, 111, 3252.
27. Xu, L. F.; Sedigh, M. G.; Tsotsis, T. T.; Sahimi, M. J. Chem. Phys. 2000, 112, 910.
28. Xu, L. F.; Sedigh, M. G.; Sahimi, M.; Tsotsis, T. T. Phys. Rev. Lett. 1999, 80, 3511.
29. Suzuki, S.; Nagumo, R.; Takaba, H.; Nakao, S. Microporous Mesoporous Mater. 2001, 48, 247.
30. Suzuki, S.; Takaba, H.; Yamaguchi, T.; Nakao, S. J. Phys. Chem. B 2000, 104, 1971.
31. Snyder, M. A.; Vlachos, D. G.; Katsoulakis, M. A. Chem. Eng. Sci. 2003, 58, 895.
32. Tunca, C.; Ford, D. M. J. Chem. Phys. 2004, 120, 10763.
33. Skoulidas, A. I.; Sholl, D. S. J. Phys. Chem. B 2001, 105, 3151.
34. Chandross, M.; Webb, E. B.; Grest, G. S.; Martin, M. G.; Thompson, A. P.; Roth, M. W. J. Phys. Chem. B 2001, 105, 5700
35. Webb, E. B.; Grest, G. S. J. Chem. Phys. 2002, 116, 6311.
36. Nose, S. J. Chem. Phys. 1984, 81, 511.
37. Hoover, W. G. Phys. Rev. A 1985, 31, 1695.
38. Frenkel, D.; Smit, B. Understanding Molecular Simulation: From Algorithms to Applications, 2nd ed.; Academic Press: San Diego, CA, 2002.
39. Barrer, R. Zeolites as Membranes: The Role of the Gas-Crystal Interface. In Catalysis and Adsorption by Zeolites; Öhlmann, G., Pfeifer, H., Fricke, R., Eds.; Elsevier Science Publishers: New York, 1991; p 257.
40. Skoulidas, A. I.; Sholl, D. S.; Krishna, R. Langmuir 2003, 19, 7977.
41. Song, W.; Justice, R. E.; Jones, C. A.; Grassian, V. H.; Larsen, S. C. Langmuir 2004, 20, 8301.