Direct tests of the darken approximation for molecular diffusion in zeolites using equilibrium molecular dynamics

Journal of Physical Chemistry B

Volumn 105, Issue 16, 2001, Pages 3153-3154

  Skoulidas, Anastasios I ^a   Sholl, David S ^a  

^a CARNEGIE MELLON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTER SIMULATION; DIFFUSION IN SOLIDS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PHASE EQUILIBRIA; TEMPERATURE; TRANSPORT PROPERTIES;

DARKEN APPROXIMATION; EQUILIBRIUM MOLECULAR DYNAMICS; MOLECULAR DIFFUSION; TRANSPORT DIFFUSIVITIES;

ZEOLITES;

EID: 0035953482     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0044274     Document Type: Article

References (24)

1. Kärger, J.; Ruthven, D. Diffusion in Zeolites and Other Microporous Solids; John Wiley & Sons: New York, 1992.
2. Theodorou, D. N.; Snurr, R. Q.; Bell, A. T. in Comprehensive Supramolecular Chemistry; Alberti, G., Bein, T., Eds.; Pergamon: New York, 1996; Vol. 7, p 507.
3. Keil, F. J.; Krishna, R.; Coppens, M.-O. Rev. Chem. Eng. 2000, 16, 71.
4. Reyes, S. C; Sinfelt, J. H.; DeMartin, G. J. J. Phys. Chem. B 2000, 104, 5750.
5. Darken, L. S. Trans. AIME 1948, 175, 184.
6. Kapteijn, F.; Bakker, W. J. W.; Zheng, G.; Poppe, J.; Moulijn, J. A. Chem. Eng. J. 1995, 57, 145.
7. Krishna, R.; van den Broeke, L. J. P. Chem. Eng. J. 1995, 57, 155.
8. van den Broeke, L. J. P. AIChE J. 1995, 41, 2399.
9. Krishna, R. Chem. Eng. Sci. 1990, 45, 1779.
10. Jobic, H.; Kärger, J.; Bée, M. Phys. Ret-: Lett. 1999, 82, 4260.
11. Sholl, D. S.; Fichthorn, K. A. Phys. Rev. Lett. 1997, 79, 3569.
12. Sholl, D. S. Chem. Phys. Lett. 1999, 305, 269.
13. Sholl, D. S. Ind. Eng. Chem. Res. 2000, 39, 3737.
14. Sholl, D. S.; Lee, C. K. J. Chem. Phys. 2000, 112, 817.
15. Maginn, E. J.; Bell, A. T.; Theodorou, D. N. J. Phys. Chem. 1993, 87, 4173.
16. Hoogenboom, J. P.; Tepper, H. L.; van der Vegt, N. F. A.; Briels, W. J. J. Chem. Phys. 2000, 113, 6875.
17. Sanborn, M. J.; Snurr, R. Q. Sep. Purif. Technol. 2000, 20, 1.
18. Sanborn, M. J.; Snurr, R. Q., submitted to AIChE J.
19. Chen, L.; Falcioni, M.; Deem, M. W. J. Phys. Chem. B 2000, 104, 6033.
20. Goodbody, S. J.; Watanabe, K.; MacGowan, D.; Walton, J. P. R. B.; Quirke, N. J. Chem. Soc., Faraday Trans. 1991, 87, 1951.
21. Heuchel, M.; Snurr, R. Q.; Buss, E. Langmuir 1997, 13, 6795.
22. Snurr, R. Q.; Kärger, J. J. Phys. Chem. B 1997, 101, 6469.
23. Skoulidas, A. L; Bowen, T.; Falconer, J. L.; Noble, R. D.; Sholl, D. S., submitted to Ind. Eng. Chem. Res.
24. Douslin, D. R.; Harrison, R. H.; Moore, R. T. J. Phys. Chem. 1967, 71, 3477.