Pore size or geometry: Which determines the shape and inverse-shape selective adsorption of alkane isomers?

Journal of Physical Chemistry B

Volumn 110, Issue 17, 2006, Pages 8670-8673

  Jiang, Jianwen ^a  

^a NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON NANOTUBES; COMPUTER SIMULATION; ENTROPY; OLEFINS; PORE SIZE; TERNARY SYSTEMS;

ALKANE ISOMERS; PURE PENTANE; SHAPE SELECTIVE ADSORPTION;

ISOMERS;

EID: 33744483161     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp060213w     Document Type: Article

References (30)

1. Chen, N. Y.; Garwood, W. E.; Dwyer, F. G. Shape Selective Catalysis in Industrial Applications; Marcel Dekker: New York, 1989.
2. Santilli, D. S. J. Catal. 1986, 99, 335.
3. Denayer, J. F.; Souverijns, W.; Jacobs, P. A.; Martens, J. A.; Baron, G. V. J. Phys. Chem. B 1998, 102, 4588.
4. Calero, S.; Smit, B.; Krishna, R. Phys. Chem. Chem. Phys. 2001, 3, 4390.
5. Krishna, R.; Smit, B.; Calero, S. Chem. Soc. Rev. 2002, 31, 185.
6. Smit, B.; Krishna, R. Chem. Eng. Sci. 2003, 58, 557.
7. Schenk, M.; Smit, B.; Vlugt, T. J. H.; Maesen, T. L. M. Angew. Chem., Int. Ed. 2001, 40, 736.
8. Santilli, D. S.; Harris, T. V.; Zones, S. I. Microporous Mater. 1993, 1, 329.
9. Denayer, J. F. M.; Ocakoglu, A. R.; Martens, J. A.; Baron, G. V. J. Catal. 2004, 226, 240.
10. Schenk, M.; Calero, S.; Maesen, T. L. M.; van Benthem, L. L.; Verbeek, M. G.; Smit, B. Angew. Chem., Int. Ed. 2002, 41, 2500.
11. Schenk, M.; Calero, S.; Maesen, T. L. M.; Vlugt, T. J. H.; van Benthem, L. L.; Verbeek, M. G.; Schnell, B.; Smit, B. J. Catal. 2003, 214, 88.
12. Fox, J. P.; Bates, S. P. J. Phys. Chem. B 2004, 108, 17136.
13. Denayer, J. F. M.; Ocakoglu, A. R.; Arik, I. C.; Krischhock, C. E. A.; Martens, J. A.; Baron, G. V. Angew. Chem., Int. Ed. 2005, 44, 400.
14. Jiang, J. W.; Sandler, S. I. J. Chem. Phys. 2006, 124, 024717.
15. Ryckaert, J. P.; Bellemans, A. Faraday Discuss. Chem. Soc. 1978, 66, 95.
16. Macedonia, M. D.; Maginn, E. J. Fluid Phase Equilib. 1999, 158-160, 19.
17. Jiang, J. W.; Sandler, S. I.; Schenk, M.; Smit, B. Phys. Rev. B 2005, 72, 045447.
18. Jiang, J. W.; Sandler, S. I.; Smit, B. Nano Lett. 2004, 4, 241.
19. Martin, M. G.; Siepmann, J. I. J. Phys. Chem. B 1998, 102, 2569.
20. Martin, M. G.; Siepmann, J. I. J. Phys. Chem. B 1999, 103, 4508.
21. Jorgensen, W. L.; Madura, J. D.; Swenson, C. J. J. Am. Chem. Soc. 1984, 106, 6638.
22. We have used the default value of 3.1 in ViewerLite 4.2 (Accelrys Inc). The value of 3.0 was used in: Corey, R. B.; Pauling, L. Rev. Sci. Instrum. 1952, 24, 621.
23. The value of 3.4 was used in: Fujiwara, A.; et al. Chem. Phys. Lett. 2001, 336, 205.
24. Kukovecz, A.; et al. Phys. Chem. Chem. Phys. 2003, 5, 582;
25. Kis, A.; et al. Nature Mater. 2004, 3, 153.
26. Steele, W. A. The Interaction of Gases with Solid Surfaces; Pergamon: Oxford, UK, 1974.
27. Allen, M. P.; Tildesley, D. J. Computer simulation of liquids; Clarendon Press: Oxford, UK, 1987.
28. Frenkel, D.; Smit, B. Understanding Molecular Simulations: From algorithms to applications, 2nd ed.; Academic Press: San Diego, CA, 2002.
29. Jiang, J. W.; Sandler, S. I. Submitted for publication, 2006.
30. Broughton, D. B. Chem. Eng. Prog. 1968, 64, 60.