Molecular simulation of loading dependent slow diffusion in confined systems

Physical Review Letters

Volumn 93, Issue 24, 2004, Pages

  Beerdsen, E ^a   Smit, B ^a   Dubbeldam, D ^a  

^a UNIVERSITY OF AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

CONFINED SYSTEMS; MOLECULAR SIMULATION; NONZERO LOADING; TRANSITION STATE THEORY (TST);

APPROXIMATION THEORY; COMPUTER SIMULATION; CORRELATION METHODS; FREE ENERGY; FUNCTIONS; MOLECULAR DYNAMICS; PROBABILITY; ZEOLITES;

DIFFUSION;

EID: 42749109098     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.93.248301     Document Type: Article

References (23)

1. J. M. Thomas, Sci. Am. 266, No. 4, 112 (1992).
2. C. Saravanan, F. Jousse, and S. M. Auerbach, Phys. Rev. Lett. 80, 5754 (1998).
3. E. J. Maginn, A. T. Bell, and D. N. Theodorou, J. Phys. Chem. 100, 7155 (1996).
4. K. Hahn, J. Karger, and V. Kukla, Phys. Rev. Lett. 76, 2762 (1996).
5. H. Jobic, J. Karger, and M. Bee, Phys. Rev. Lett. 82, 4260 (1999).
6. L. A. Clark, G. T. Ye, and R. Q. Snurr, Phys. Rev. Lett. 84, 2893 (2000).
7. D. S. Sholl and K. A. Fichthorn, Phys. Rev. Lett. 79, 3569 (1997).
8. S. Fritzsche, M. Gaub, R. Haberlandt, and G. Hofmann, J. Mol. Model. 2, 286 (1996).
9. E. B. Webb, G. S. Grest, and M. Mondello, J. Phys. Chem. B 103, 4949 (1999).
10. S. M. Auerbach, Int. Rev. Phys. Chem. 19, 155 (2000).
11. D. Dubbeldam, S. Calero, T. L. M. Maesen, and B. Smit, Phys. Rev. Lett. 90, 245901 (2003).
12. F. Jousse and S. M. Auerbach, J. Chem. Phys. 107, 9629 (1997).
13. R. L. June, A. T. Bell, and D. N. Theodorou, J. Phys. Chem. 95, 8866 (1991).
14. C. Tunca and D. M. Ford, Chem. Eng. Sci. 58, 3373 (2003).
15. C. H. Bennett, in Diffusion in Solids: Recent Developments, edited by A. Nowick and J. Burton (Academic Press, New York, 1975), pp. 73-113.
16. D. Chandler, J. Chem. Phys. 68, 2959 (1978).
17. D. Frenkel and B. Smit, Understanding Molecular Simulation (Academic Press, London, 2002), 2nd ed.
18. K. F. Czaplewski and R. Q. Snurr, AIChE J. 45, 2223 (1999).
19. J. P. Ryckaert and A. Bellemans, Faraday Discuss. Chem. Soc. 66, 95 (1978).
20. A. G. Bezus, A. V. Kiselev, A. A. Lopatkin, and P. Q. J. Du, J. Chem. Soc., Faraday Trans. 2 74, 367 (1978).
21. D. Dubbeldam, S. Calero, T. J. H. Vlugt, R. Krishna, T. L. M. Maesen, E. Beerdsen, and B. Smit, Phys. Rev. Lett. 93, 088302 (2004).
22. D. Dubbeldam, S. Calero, T. J. H. Vlugt, R. Krishna, T. L. M. Maesen, and B. Smit, J. Phys. Chem. B 108, 12301 (2004).
23. E. Beerdsen, B. Smit, and S. Calero, J. Phys. Chem. B 106, 10659 (2002).