A Computational Study of Molecular Diffusion and Dynamic Flow through Carbon Nanotubes

Journal of Physical Chemistry B

Volumn 104, Issue 19, 2000, Pages 4618-4624

  Mao, Zugang ^a   Sinnott, Susan B ^a  

^a UNIVERSITY OF KENTUCKY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0034682257     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9944280     Document Type: Article

References (57)

1. Iijima, S. Nature 1991, 56, 354.
2. Caruana, C. M. Chem. Eng. Prog. 1997, 17.
3. Cheryan, M. Ultrafiltration Membranes; Technomic Publishing Company: PA, 1986, p 279.
4. Dillon, A. C.; Jones, K. M.; Bekkedahl, T. A.; Kiang, C. H.; Bethune, D. S.; Heben, M. J. Nature 1997, 386, 377.
5. Sloan, J.; Hammer, J.; Zwiefka-Sibley, M.; Green, M. L. H. Chem. Commun. 1998, 3, 347.
6. Liu, J.; Rinzler, A. G.; Dai, H.; Hafner, J. H.; Bradley, R. K.; Boul, B. J.; Lu, A.; Iverson, T.; Shelimov, K.; Huffman, C. H.; Rodriguez-Macias, F.; Shon, Y.-S.; Lee, T. R.; Colbert, D. T.; Smalley, R. E. Science 1998, 280, 1253.
7. Karger, J.; Ruthven, D. M. Diffusion in Zeolites and Microporous Solids; Wiley and Sons: New York, 1992.
8. Carberry, J. J. Chemical and Catalytic Reaction Engineering; McGraw-Hill: New York, 1976.
9. de Vos, R. M.; Verweij, H. Science 1998, 279, 1710.
10. Cracknell, R. F.; Nicholson, D.; Quirke, N. Mol. Phys. 1994, 13, 193.
11. Bouyermaouen, A.; Bellemans, A. J. Chem. Phys. 1998, 108, 2170.
12. Xu, L.; Tsotsis, T. T.; Sahimi, M. J. Chem. Phys. 1999, 111, 3252.
13. Gergidis, L. N.; Theodorou, D. N. J. Phys. Chem. B 1999, 103, 3380.
14. See, for example, Kukla, V.; Kornatowski, J.; Demuth, D.; Girnus, I.; Pfeifer, H.; Rees, L. V. C.; Schunk, S.; Unger, K. K.; Karger, J. Science 1996, 272, 702.
15. See, for example, Keffer, D.; Davis, H. T.; McCormick, A. V. Adsorption 1996, 2, 9.
16. Keffer, D.; McCormick, A. V.; Davis, H. T. Mol. Phys. 1996, 87, 367.
17. Sholl, D. S.; Fichthorn, K. A. J. Chem. Phys. 1997, 107, 4384.
18. Sastre, G.; Catlow, C. R. A.; Corma, A. J. Phys. Chem. B 1999, 103, 5187.
19. Mosell, T.; Schrimpf, G.; Brichmann, J. J. Phys. Chem. B 1997, 101, 9476; 1997, 101, 9485.
20. Mosell, T.; Schrimpf, G.; Brichmann, J. J. Phys. Chem. B 1997, 101, 9476; 1997, 101, 9485.
21. Gladden, L. F.; Sousa-Goncalves, J. A.; Alexander, P. J. Phys. Chem. B 1997, 101, 10121.
22. Webb III, E. B.; Grest, G. S.; Mondello, M. J. Phys. Chem. B 1999, 103, 4949.
23. Saravanan, C.; Auerbach, S. M. J. Chem. Phys. 1999, 110, 11000.
24. Ebbesen, T. W. J. Phys. Chem. Solids 1996, 57, 951.
25. Eswaramoorthy, M.; Sen, R.; Rao, C. N. R. Chem. Phys. Lett. 1999, 304, 207.
26. Ugarte, D.; Chatelain, A.; de Heer, W. A. Science 1996, 274, 1897.
27. Pederson, M. R.; Broughton, J. Q. Phys. Rev. Lett. 1992, 69, 2689.
28. Darkrim, F.; Levesque, D. J. Chem. Phys. 1998, 109, 4981.
29. Wang, Q.; Johnson, J. K. J. J. Chem. Phys. 1999, 110, 577, Wang, Q.; Johnson, J. K. J. Phys. Chem. B 1999, 103, 4809.
30. Wang, Q.; Johnson, J. K. J. J. Chem. Phys. 1999, 110, 577, Wang, Q.; Johnson, J. K. J. Phys. Chem. B 1999, 103, 4809.
31. Dresselhaus, M. S.; Williams, K. A.; Eklund, P. C. MRS Bull. 1999, 24, 45.
32. Tuzun, R. E.; Noid, D. W.; Sumpter, B. G.; Merkle, R. C. Nanotechnology 1996, 7, 241.
33. Wang, Q.; Challa, S. R.; Sholl, D. S.; Johnson, J. K. Phys. Rev. Lett. 1999, 82, 956.
34. Allen, M. P.; Tildesley, D. J. Computer Simulation of Liquids; Oxford University Press: New York, 1987.
35. Gear, C. W. Numerical Integration of Ordinary Differential Equations of Various Orders; Report ANL 7126, Argonne National Laboratory: Argonne, IL, 1966.
36. Gear, C. W. Numerical Initial Value Problems in Ordinary Differential Equations: Prentice Hall: Englewood Cliffs, NJ, 1971.
37. Sinnott, S. B.; Qi, L.; Shenderova, O. A.; Brenner, D. W. In Advances in Classical Trajectory Methods, Molecular Dynamics of Clusters, Surfaces, Liquids, and Interfaces; Hase, W., Ed.; JAI Press: Stamford, CT, 1999; Volume IV, Chapter 1, pp 1-26.
38. Williams, E. R.; Jones, G. C., Jr.; Fang, L.; Zare, R. N.; Garrison, B. J.; Brenner, D. W. J. Am. Chem. Soc. 1992, 114, 3207.
39. Qi, L.; Sinnott, S. B. J. Vac. Sci. Technol., A 1998, 16, 1293.
40. Yakobson, B. I.; Brabec, C. J.; Bernholc, J. Phys. Rev. Lett. 1996, 76, 2511.
41. Garg, A.; Han, J.; Sinnott, S. B. Phys. Rev. Lett. 1998, 81, 2260. Garg, A.; Sinnott, S. B. Chem. Phys. Lett. 1998, 295, 273.
42. Garg, A.; Han, J.; Sinnott, S. B. Phys. Rev. Lett. 1998, 81, 2260. Garg, A.; Sinnott, S. B. Chem. Phys. Lett. 1998, 295, 273.
43. Cornwell, C. F.; Wille, L. T. Solid State Commun. 1997, 101, 555.
44. Sinnott, S. B.; Shenderova, O. A.; White, C. T.; Brenner, D. W. Carbon 1998, 36, 1.
45. Robertson, D. H.; Brenner, D. W.; White, C. T. J. Phys. Chem. 1992, 96, 6133.
46. Ryckaert, J.-P.; Bellemans, A. Chem. Phys. Lett. 1975, 30, 123.
47. Mao, Z.; Garg, A.; Sinnott, S. B. Nanotechnology 1999, 10, 273.
48. Dresselhaus, M. S.; Dresselhaus, G.; Eklund, P. C. Science of Fullerenes and Carbon Nanotubes; Academic Press: San Diego, 1996.
49. 3.
50. 3.
51. Morooka, S.; Kusakabe, K. MRS Bull. 1999, 24, number 3, 25.
52. Nelson, P. H.; Scott, M. A. J. Chem. Phys. 1999, 100, 9235.
53. Cuthbert, T. R.; Wagner, N. J.; Paulaitis, M. E.; Murgia, G.; D'Aguanno, B. Macromolecules 1999, 32, 5017.
54. See Sholl, D. S. Chem. Eng. J. 1999, 74, 25, and references therein.
55. Hahn, K. and Karger, J. J. Phys. Chem. B 1998, 102, 5766.
56. Keffer, D. Chem. Eng. J. 1999, 74, 33.
57. Fan, X.; Dickey, E. C.; Eklund, P.; Williams, K.; Grigorian, L.; Buczko, R.; Pantelides, S. T.; Pennycook, S. J. Phys. Rev. Lett., in press.