Predicting local transport coefficients at solid-gas interfaces

Journal of Physical Chemistry C

Volumn 116, Issue 35, 2012, Pages 18878-18883

  Zimmermann, Nils E R ^a   Smit, Berend ^b   Keil, Frerich J ^a  

^a HAMBURG UNIVERSITY OF TECHNOLOGY   (Germany)

^b University of California   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACCURATE PREDICTION; BOUNDARY REGIONS; HOST STRUCTURE; LOCAL TRANSPORT; MOLECULAR SIMULATIONS; NANOPOROUS MEMBRANE; NANOPOROUS STRUCTURES; SIMULATION APPROACH; SOLID-GAS INTERFACE; SURFACE PERMEABILITY; TRACER EXCHANGE; TRANSPORT RATE; ZEOLITE MEMBRANE;

METHANE; MOLECULES;

PHASE INTERFACES;

EID: 84865980229     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp3059855     Document Type: Article

References (42)

1. Hansen, N.; Krishna, R.; van Baten, J. M.; Bell, A. T.; Keil, F. J. J. Phys. Chem. C 2009, 113, 235-246
2. Jakobtorweihen, S.; Verbeek, M. G.; Lowe, C. P.; Keil, F. J.; Smit, B. Phys. Rev. Lett. 2005, 95, 044501
3. Beerdsen, E.; Dubbeldam, D.; Smit, B. Phys. Rev. Lett. 2006, 96, 044501
4. Beerdsen, E.; Dubbeldam, D.; Smit, B. J. Phys. Chem. B 2006, 110, 22754-22772
5. Zimmermann, N. E. R.; Jakobtorweihen, S.; Beerdsen, E.; Smit, B.; Keil, F. J. J. Phys. Chem. C 2007, 111, 17370-17381
6. Hibbe, F.; Chmelik, C.; Heinke, L.; Pramanik, S.; Li, J.; Ruthven, D. M.; Tzoulaki, D.; Kärger, J. J. Am. Chem. Soc. 2011, 133, 2804-2807
7. Heinke, L.; Kärger, J. Phys. Rev. Lett. 2011, 106, 074501
8. Krishna, R. J. Phys. Chem. C 2009, 113, 19756-19781
9. Sholl, D. S. Acc. Chem. Res. 2006, 39, 403-411
10. Zimmermann, N. E. R.; Haranczyk, M.; Sharma, M.; Liu, B.; Smit, B.; Keil, F. J. Mol. Simul. 2011, 37, 986-989
11. Beerdsen, E.; Smit, B. J. Phys. Chem. B 2006, 110, 14529-14530
12. Jobic, H.; Theodorou, D. N. J. Phys. Chem. B 2006, 110, 1964-1967
13. Krishna, R. Chem. Soc. Rev. 2012, 41, 3099-3118
14. Gueudre, L.; Jolimaite, E.; Bats, N.; Dong, W. Adsorption 2010, 16, 17-27
15. Whitmore, L.; Slater, B.; Catlow, C. R. A. Phys. Chem. Chem. Phys. 2000, 2, 5354-5356
16. Gobin, O. C.; Reitmeier, S. J.; Jentys, A.; Lercher, J. A. J. Phys. Chem. C 2011, 115, 1171-1179
17. Heinke, L.; Kortunov, P.; Tzoulaki, D.; Kärger, J. Phys. Rev. Lett. 2007, 99, 228301
18. Chmelik, C.; Varmla, A.; Heinke, L.; Shah, D. B.; Kärger, J.; Kremer, F.; Wilczok, U.; Schmidt, W. Chem. Mater. 2007, 19, 6012-6019
19. Zimmermann, N. E. R.; Smit, B.; Keil, F. J. J. Phys. Chem. C 2010, 114, 300-310
20. Zimmermann, N. E. R.; Balaji, S. P.; Keil, F. J. J. Phys. Chem. C 2012, 116, 3677-3683
21. Chmelik, C.; Kärger, J. Chem. Soc. Rev. 2010, 39, 4864-4884
22. Tzoulaki, D.; Heinke, L.; Castro, M.; Cubillas, P.; Anderson, M. W.; Zhou, W.; Wright, P. A.; Kärger, J. J. Am. Chem. Soc. 2010, 132, 11665-11670
23. Gulín-González, J.; Schüring, A.; Fritzsche, S.; Kärger, J.; Vasenkov, S. Chem. Phys. Lett. 2006, 430, 60-66
24. Schüring, A.; Gulín-González, J.; Vasenkov, S.; Fritzsche, S. Microporous Mesoporous Mater. 2009, 125, 107-111
25. Combariza, A. F.; Sastre, G. J. Phys. Chem. C 2011, 115, 13751-13758
26. Crank, J. The Mathematics of Diffusion, 2 nd ed.; Oxford University Press: New York, 1975.
27. Qiu, S.; Pang, W.; Kessler, H.; Guth, J. L. Zeolites 1989, 9, 440-444
28. Dubbeldam, D.; Calero, S.; Vlugt, T. J. H.; Krishna, R.; Maesen, T. L. M.; Beerdsen, E.; Smit, B. Phys. Rev. Lett. 2004, 93, 088302
29. Hibbe, F.; Marthala, V. R. R.; Chmelik, C.; Weitkamp, J.; Kärger, J. J. Chem. Phys. 2011, 135, 184201
30. Ruthven, D. M.; Farooq, S.; Knaebel, K. S. Pressure Swing Adsorption; VCH Publishers: New York, 1994.
31. Thompho, S.; Chanajaree, R.; Remsungnen, T.; Hannongbua, S.; Bopp, P. A.; Fritzsche, S. J. Phys. Chem. A 2009, 113, 2004-2014
32. June, R. L.; Bell, A. T.; Theodorou, D. N. J. Phys. Chem. 1991, 95, 8866-8878
33. Beerdsen, E.; Smit, B.; Dubbeldam, D. Phys. Rev. Lett. 2004, 93, 248301
34. Dubbeldam, D.; Beerdsen, E.; Vlugt, T. J. H.; Smit, B. J. Chem. Phys. 2005, 112, 224712
35. Veziri, C. M.; Palomino, M.; Karanikolos, G. N.; Corma, A.; Kanellopoulos, N. K.; Tsapatsis, M. Chem. Mater. 2010, 22, 1492-1502
36. Caro, J.; Noack, M.; Kölsch, P.; Schäfer, R. Microporous Mesoporous Mater. 2000, 38, 3-24
37. Caro, J.; Noack, M. Microporous Mesoporous Mater. 2008, 115, 215-233
38. Chandler, D. J. Chem. Phys. 1978, 68, 2959-2970
39. Frenkel, D.; Smit, B. Understanding Molecular Simulations: From Algorithms to Applications; Academic Press: San Diego, 2002.
40. Schüring, A. J. Phys. Chem. C 2007, 111, 11285-11290
41. Pan, L.; Parker, B.; Huang, X. Y.; Olson, D. H.; Lee, J.; Li, J. J. Am. Chem. Soc. 2006, 128, 4180-4181
42. Zimmermann, N. E. R.; Keil, F. J. Diffusion Fundamentals 2011, 16, 1-2