Comparing atomistic simulations and experimental measurements for CH 4/CF4 mixture permeation through silicalite membranes

Journal of Membrane Science

Volumn 227, Issue 1-2, 2003, Pages 123-136

  Skoulidas, Anastasios I ^a   Bowen, Travis C ^b   Doelling, Christopher M ^b,c   Falconer, John L ^b   Noble, Richard D ^b   Sholl, David S ^a  

^a CARNEGIE MELLON UNIVERSITY   (United States)

^b UCB 450   (United States)

^c Princeton University   (United States)

Author keywords

Diffusion; Gas separations; Microporous and porous membranes; Theory

Indexed keywords

ADSORPTION; DIFFUSION; MECHANICAL PERMEABILITY; METHANE;

INTERATOMIC POTENTIALS; ROOM TEMPERATURE;

PERMSELECTIVE MEMBRANES;

CARBON; FLUORINE DERIVATIVE; METHANE; SILICATE; ZEOLITE;

GAS SEPARATION; MEMBRANE; MEMBRANE TECHNOLOGY; PERMEABILITY; POROUS MEDIUM;

ADSORPTION; ARTICLE; ATOM; COMPARATIVE STUDY; DIFFUSION; MEMBRANE PERMEABILITY; MEMBRANE TRANSPORT; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE ANALYSIS; ROOM TEMPERATURE; SIMULATION; STEREOCHEMISTRY;

EID: 0345330875     PISSN: 03767388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.memsci.2003.08.021     Document Type: Article

References (48)

1. Auerbach S.M. Int. Rev. Phys. Chem. 19:2000;155-198.
2. Matsukata M., Kikuchi E. Bull. Chem. Soc. Jpn. 70:1997;2341.
3. Coronas J., Santamaria J. Separ. Purif. Meth. 28:1999;127.
4. Bowen T.C., Falconer J.L., Skoulidas A.I., Sholl D.D. Ind. Eng. Chem. Res. 41:2002;1641-1650.
5. Sholl D.S. Ind. Eng. Chem. Res. 39:2000;3737-3746.
6. Skoulidas A.I., Ackerman D.M., Johnson J.K., Sholl D.S. Phys. Rev. Lett. 89:2002;185901.
7. D.N. Theodorou, R.Q. Snurr, A.T. Bell, Molecular dynamics and diffusion in microporous materials. In: G. Alberti, T. Bein (Eds.), Comprehensive Supramolecular Chemistry, vol. 7, Pergamon Press, New York, 1996, pp. 507-548.
8. Keil F.J., Krishna R., Coppens M.O. Rev. Chem. Eng. 16:2000;71-197.
9. Schuring D., Koriabkina A.O., de Jong A.M., Smit B., van Santen A. J. Phys. Chem. B. 105:2001;7690-7698.
10. Goj A., Sholl D.S., Akten E.D., Kohen D. J. Phys. Chem. B. 106:2002;8367-8375.
11. Heuchel M., Snurr R.Q., Buss E. Langmuir. 13:1997;6795-6804.
12. Lachet V., Boutin A., Tavitian B., Fuchs A.H. Langmuir. 15:1999;8678-8685.
13. Yang J.-H., Clark L.A., Ray G.J., Kim Y.J., Du H., Snurr R.Q. J. Phys. Chem. B. 105:2001;4698-4708.
14. Challa S.R., Sholl D.S., Johnson J.K. J. Chem. Phys. 116:2002;814-824.
15. Jost S., Bär N., Fritzsche S., Haberlandt R., Kärger J. J. Phys. Chem. B. 102:1998;6375-6381.
16. Gergidis L.N., Theodorou D.N. J. Phys. Chem. B. 103:1999;3380-3390.
17. Gergidis L.N., Theodorou D.N., Jobic H. J. Phys. Chem. B. 104:2000;5541-5552.
18. Sholl D.S., Fichthorn K.A. J. Chem. Phys. 107:1997;4384-4389.
19. Snurr R.Q., Kärger J. J. Phys. Chem. B. 101:1997;6469-6473.
20. Sanborn M.J., Snurr R.Q. Separ. Purif. Technol. 20:2000;1-13.
21. Sanborn M.J., Snurr R.Q. Aiche J. 47:2001;2032-2041.
22. Maceiras D.B., Sholl D.S. Langmuir. 18:2002;7393-7400.
23. Ahunbay M.G., Elliot J.J.R., Talu O. J. Phys. Chem. B. 106:2002;5163-5168.
24. Martin M.G., Thompson A.P., Nenoff T.M. J. Chem. Phys. 114:2001;7174-7181.
25. Krishna R., van den Broeke L.J.P. Chem. Eng. J. 57:1995;155-162.
26. Krishna R. Chem. Eng. Sci. 48:1993;845-861.
27. Skoulidas A.I., Sholl D.S. J. Phys. Chem. B. 105:2001;3151-3154.
28. Skoulidas A.I., Sholl D.S. J. Phys. Chem. B. 106:2002;5058-5067.
29. Olson D.H., Kokotailo G.T., Lawton S.L., Meier W.M. J. Phys. Chem. 85:1981;2238-2243.
30. S.J. Goodbody, K. Watanabe, D. MacGowan, W. J.P.R.B., N. Quirke, J. Chem. Soc. Faraday Trans. 87 (1991) 1951-1958.
31. Doulsin D.R., Harrison R.H., Moore R.T. J. Phys. Chem. 71:1967;3477-3488.
32. D. Frenkel, B. Smit, Understanding Molecular Simulation: From Algorithms to Applications, Academic Press, London, 1996.
33. Habgood H.W. Can. J. Chem. 36:1958;1384-1397.
34. van de Graaf J.M., Kapteijn F., Moulijn J.A. Aiche J. 45:1999;497-511.
35. Yang R.T., Chen Y.D., Yeh Y.T. Chem. Eng. Sci. 46:1991;3089-3099.
36. Krishna R., Paschek D. Ind. Eng. Chem. Res. 39:2000;2618-2622.
37. Karger J., Bulow M. Chem. Eng. Sci. 30:1975;893-896.
38. Kapteijn F., Bakker W.J.W., Zheng G., Poppe J., Moulijn J. Chem. Eng. J. 57:1995;145-153.
39. Tuchlenski A., Uchytil P., Seidel-Morgenstern A. J. Membr. Sci. 140:1998;165-184.
40. Gardner T.Q., Flores A.I., Noble R.D., Falconer J.L. AIChE J. 48:2002;1155-1167.
41. Bakker W.J.W., Kapteijn F., Poppe J., Moulijn J.A. J. Membr. Sci. 117:1996;57-78.
42. Keizer K., Burggraaf A.J., Vroon Z.A.E.P., Verweij H. J. Membr. Sci. 147:1998;159-172.
43. Matsufuji T., Nishiyama N., Matsukata M., Uyama K. J. Membr. Sci. 178:2000;25-34.
44. van de Graaf J.M., van der Bijl E., Stol A., Kapteijn F., Moulijn J.A. Ind. Eng. Chem. Res. 37:1998;4071-4083.
45. Chen L.G., Falcioni M., Deem M.W. J. Phys. Chem. B. 104:2000;6033-6039.
46. Voter A.F., Montalenti F., Germann T.C. Ann. Rev. Mater. Res. 32:2002;321-346.
47. W.E. Schiesser, The Numerical Method of Lines: Integration of Partial Differential Equations, Academic Press, San Diego, 1991.
48. LSODE (Livermore Solver for Ordinary Differential Equations). http://www.netlib.org .