Density Functional Investigation of Methanethiol and Dimethyl Sulfide Adsorption on Zeolite

Journal of Natural Gas Chemistry

Volumn 15, Issue 2, 2006, Pages 134-143

  Lü, Renqing ^a   Qiu, Guangmin ^a   Liu, Chenguang ^a  

^a CHINA UNIVERSITY OF PETROLEUM   (China)

Author keywords

density functional theory; dimethyl sulfide; methanethiol; model cluster; zeolite

Indexed keywords

ADSORPTION; COORDINATION REACTIONS; MOLECULAR STRUCTURE; SULFUR COMPOUNDS; VAN DER WAALS FORCES;

CLUSTER MODEL METHODS; DENSITY FUNCTIONAL THEORY; DIMETHYL SULFIDE; METHANETHIOL; MOLECULAR COMPLEXES;

ZEOLITES;

EID: 33746265257     PISSN: 10039953     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1003-9953(06)60020-0     Document Type: Article

References (33)

1. Angelici R. Polyhedron 16 18 (1997) 3073
2. Mochida I., Sakanishi K., Ma X., Nagao S., and Isoda T. Catal Today 29 1-4 (1996) 185
3. Gates B., and Topsoe H. Polyhedron 16 18 (1997) 3213
4. Song C. Catal Today 86 1-4 (2003) 211
5. Dhar G., Srinivas B., Rana M., Kumar M., and Maity S. Catal Today 86 1-4 (2003) 45
6. Yang R., Hernandez-Maldonado A., and Yang F. Science 301 5629 (2003) 79
7. Yasyerli S., Ar I., Dogu G., and Dogu T. Chem Eng Pro 41 9 (2002) 785
8. Sirkecioglu A., Altav Y., and Erdem-Senatalar A. Sep Sci Technol 30 13 (1995) 2747
9. Wakita H., Tachibana Y., and Hosaka M. Microporous Mesoporous Mater 46 2-3 (2001) 237
10. Marcu I., and Sandulescu I. J Serb Chem Soc 69 7 (2004) 563
11. Zhou W., and Clennan E. Chem Commun 22 (1999) 2261
12. Kim J.-T., and Heo N.-T. J Korean Chem Soc 28 3 (1984) 194
13. Yeom Y., Kim Y., Han Y., and Seff K. Zeolites 17 5-6 (1996) 495
14. Ziolek M., Czyzniewska J., Lamotte J., and Lavalley J. Zeolites 16 1 (1996) 42
15. Jang S., Jeong M., Kim Y., Han Y., and Seff K. Microporous Mesoporous Mater 23 1-2 (1998) 33
16. Yeom Y., Kim Y., and Seff K. J Phys Chem 100 20 (1996) 8373
17. Garcia C., and Lercher J. J Phys Chem 96 5 (1992) 2230
18. Millar G., McCann G., Hobbis C., Bowmaker G., and Cooney R. J Chem Soc Faraday Trans 90 17 (1994) 2579
19. Neurock M. Appl Catal A 160 1 (1997) 169
20. Saintigny X., van Santen R., Clemendot S., and Hutschka F. J Catal 183 1 (1999) 107
21. Rozanska X., van Santen R., Hutschka F., and Hafner J. J Catal 215 1 (2003) 20
22. Rozanska X., van Santen R., and Hutschka F. J Catal 200 1 (2001) 79
23. Geobaldo F., Turnes Palomino G., Bordiga S., Zecchina A., and Otero Arean C. Phys Chem Chem Phys 1 4 (1999) 561
24. Garcia C., and Lercher J. J Mol Struct 293 (1993) 235
25. Garcia C., and Lercher J. J Phys Chem 96 6 (1992) 2669
26. Lavalley J. Catal Today 27 3-4 (1996) 377
27. Ziolek M., Czyzniewska J., Lamotte J., and Lavalley J. React Kinet Catal Lett 53 2 (1994) 339
28. Koranyi T., Moreau F., Rozanov V., and Rozanova E. J Mol Struct 410-411 (1997) 103
29. Garcia C., and Lercher J. J Phys Chem 95 26 (1991) 10729
30. van Santen R., and Kramer G. Chem Rev 95 (1995) 637
31. Frisch M J, Trucks G W, Schlegel H B, Gill P M W, Johnson B G, Robb M A, Cheeseman J R, Keith T A, Petersson G A, Montgomery J A, Raghavachari K, Al-Laham M A, Zakrzeski V G, Ortiz J V, Foresman J B, Cioslowski J, Stefanov B B, Nanayakkara A, Challacombe M, Peng C Y, Ayala P Y, Chen W, Wong M W, Andres J L, Replogl E S, Gomperts R, Martin R L, Fox D J, Binkley J S, D. Defrees J, Baker J, Stewart J P, Head-Gordon M, Gonzalez C, People J A, Gaussian94 (RevisonB.I), Gaussian Inc, Pittsburg, PA, 1995.
32. Lee C., Yang C., and Parr R. Phys Rev B 37 (1988) 785
33. Leach A. Molecular Modelling, Principles and Applications. 2nd Ed. (2001), Prentice Hall press, London