Density functional theory study on the hydrodesulfurization reactions of COS and CS2 with Mo3S9 model catalyst

Journal of Molecular Structure: THEOCHEM

Volumn 899, Issue 1-3, 2009, Pages 32-41

  Yao, Xiao Qian ^a   Li, Yong Wang ^b  

^a INSTITUTE OF PROCESS ENGINEERING   (China)

^b INSTITUTE OF COAL CHEMISTRY   (China)

Author keywords

COS; CS2; DFT; Hydrodesulfurization; Mo3S9

Indexed keywords

EID: 61449267422     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.12.011     Document Type: Article

References (39)

1. Willey C., Iwao M., Castle R.N., and Lee M.L. Anal. Chem. 53 (1981) 400
2. Kabe T., Ishihara A., and Tajima H. Ind. Eng. Chem. Res. 31 (1992) 1577
3. Rhodes C., Riddel S.A., West J., Williams B.P., and Hutchings G.J. Catal. Today 59 (2000) 443
4. Wiegand B.C., and Friend C.M. Chem. Rev. 92 (1992) 491
5. Daly F.P. J. Catal. 51 (1978) 221
6. Hensen E.J.M., Vissenberg M.J., de Beer V.H.J., van Veen J.A.R., and van Santen R.A. J. Catal. 163 (1996) 429
7. D.L. Sullivan, J.G. Ekerdt, J. Catal. 178 (1998) 226 and references therein.
8. Van Parijs I.A., and Froment G.F. Ind. Eng. Chem. Prod. Res. Dev. 25 (1986) 437
9. Cristol S., Paul J.-F., Payen E., Bougeard D., Clemendot S., and Hutschka F. J. Phys. Chem. B 106 (2002) 5659
10. Cristol S., Paul J.-F., Payen E., Bougeard D., Clemendot S., and Hutschka F. J. Phys. Chem. B 104 (2000) 11220
11. Travert A., Nakamura H., van Santen R.A., Cristol S., Paul J.-F., and Payen E. J. Am. Chem. Soc. 124 (2002) 7084
12. Raybaud P., Hafner J., Kresse G., Kasztelan S., and Toulhoat H. J. Catal. 189 (2000) 129
13. Raybaud P., Hafner J., Kresse G., Kasztelan S., and Toulhoat H. J. Catal. 190 (2000) 128
14. Orita H., Uchida K., and Itoh N. J. Mol. Catal. A Chem. 193 (2003) 197
15. Byskov L.S., Bollinger M., Nørskov J.K., Clausen B.S., and Topsøe H. J. Mol. Catal. A Chem. 163 (2000) 117
16. Ma X., and Schobert H.H. J. Mol. Catal. A Chem. 160 (2000) 409
17. A.H. Jubert, R. Pis Diez, G.L. Estiú, F. Ruette, J. Mol. Struct. (THEOCHEM) 465 (1999) 111.
18. Li Y.-W., Pang X.-Y., and Delmon B. J. Mol. Catal. A Chem. 169 (2001) 259
19. Zakharov I.I., and Startsev A.N. J. Phys. Chem. B 104 (2000) 9025
20. Neurock M., and van Santen R.A. J. Am. Chem. Soc. 116 (1994) 4427
21. Raybaud P., Hafner J., Kresse G., and Toulhouat H. Surf. Sci. 407 (1998) 237
22. P. Raybaud, J. Hafner, G. Kresse, H. Toulhouat, Hydrotreatment and Hydrocracking of Oil Fractions, Elsevier Science B.V., New York, 1999, p. 309.
23. Helveg S., Lauritsen J.V., Lae Gsgaard E., Stensgaard I., Nørskov J.K., Clausen B.S., Topsøe H., and Besenbacher F. Phys. Rev. Lett. 84 (2000) 951
24. Cramer S.P., Liang K.S., Jacobson A.J., Chang C.H., and Chianelli R.R. Inorg. Chem. 23 (1984) 1215
25. Müller A., Diemann E., Branding A., Baumann F.W., Breysse M., and Vrinat M. Appl. Catal. 62 (1990) L13
26. Brito J.L., Severino F., Delgado N.N., and Laine J. Appl. Catal. A 173 (1998) 193
27. Diemann E., Weber T., and Müller A. J. Catal. 148 (1994) 288 and references cited therein
28. Weber Th., Muijsers J.C., and Niemantsverdriet J.W. J. Phys. Chem. 99 (1995) 9194
29. Hibble S.J., Feaviour M.R., and Almond M.J.J. Chem. Soc. Dalton Trans. (2001) 935
30. Jiao H., Li Y.-W., Delmon B., and Halet J.-F. J. Am. Chem. Soc. 123 (2001) 7334
31. de Bont P.W., Vissenberg M.J., de Beer V.H.J., van Veen J.A.R., van Santen R.A., and van der Kraan A.M. Appl. Catal. A 202 (2000) 99
32. Yao X.-Q., Jiao H., and Li Y.-W. J. Mol. Struct. (THEOCHEM) 726 (2005) 67
33. Yao X.-Q., Jiao H., and Li Y.-W. J. Mol. Struct. (THEOCHEM) 726 (2005) 81
34. Dobrogorskaya Y., Mascetti J., Papai I., Nemukhin A., and Hannachi Y. J. Phys. Chem. A 107 (2003) 2711-2715
35. Panek J., and Latajka Z. J. Phys. Chem. A. 103 (1999) 6845
36. Delmon B. Catal. Lett. 22 (1993) 1
37. Paul J.-F., and Payen E. J. Phys. Chem. B 107 (2003) 4057
38. Rodriguez J.A., Li S.Y., Hrbek J., Huang H.H., and Xu G.Q. Surf. Sci. 370 (1997) 85
39. Rodriguez J.A. J. Phys. Chem. B 101 (1997) 7524 and references cited therein