Theoretical study of Au/SAPO-11 catalyst and its potential use in thiophene HDS

Journal of Molecular Catalysis A: Chemical

Volumn 315, Issue 1, 2010, Pages 28-34

  Griffe, Beulah ^a   Brito, Joaquín L ^a   Sierraalta, Anibal ^a  

^a INSTITUTO VENEZOLANO DE INVESTIGACIONES CIENTÍFICAS   (Venezuela)

Author keywords

Au SAPO 11; Computational catalysis; ONIOM; Theoretical calculations; Thiophene HDS

Indexed keywords

2-BUTENE; ONIOM; PARTIAL HYDROGENATION; QUANTUM CHEMISTRY CALCULATIONS; SAPO-11; THEORETICAL CALCULATIONS; THEORETICAL STUDY; THIOPHENE ADSORPTION; THIOPHENE HDS; THIOPHENE INTERACTION;

ADSORPTION; ATOMS; BUTADIENE; BUTENES; CATALYSIS; CATALYSTS; HYDRODESULFURIZATION; HYDROGENATION; ISOMERS; MOLECULAR SIEVES; SIEVES;

THIOPHENE;

EID: 71749085414     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2009.08.010     Document Type: Article

References (67)

1. Haruta M., Kobayashi T., Sano H., and Yamada N. Chem. Lett. (1987) 405
2. Bond G.C., and Thompson D.T. Catal. Rev.-Sci. Eng. 41 (1999) 319
3. Haruta M. Catal. Today 36 (1997) 153
4. Qu Z., Giurgiu L., and Roduner E. Chem. Commun. (2006) 2507
5. Mokhtar M., and Mekkawy I. J. Phys. Chem. Solids 64 (2003) 299
6. Wang A., Liu J.H., Lin S.D., and Lin T.S. J. Catal. 233 (2005) 186
7. Riach G., Guillemot D., Polisset M., Khodadadi A.A., and Fraissard J. Catal. Today 72 (2002) 115
8. Qiu S., Ohnishi R., and Ichikawa M. J. Phys. Chem. Lett. 98 (1994) 2719
9. Salama T.M., Ohnishi R., Shido T., and Ichikawa M. J. Catal. 162 (1996) 169
10. Wang X., Wang A., Wang X., Zhang T., and Yanga X. React. Kinet. Catal. Lett. 92 (2007) 33
11. Uphade B.S., Akita T., Nakamura T., and Haruta M. J. Catal. 209 (2002) 331
12. Sinha A.K., Seelan S., Akita T., Tsubota S., and Haruta M. Catal. Lett. (2003) 85
13. Sinha A.K., Seelan S., Akita T., Tsubota S., and Haruta M. Appl. Catal. A 240 (2003) 243
14. Sinha A.K., Seelan S., Okumura M., Akita T., Tsubota S., and Haruta M. J. Phys. Chem. B 109 (2005) 3956
15. Salehirad F., and Anderson M.W. J. Chem. Soc. Faraday Trans. 94 (1998) 2857
16. Yoo K.S., Kim J.-H., Park b M.J., Kim S.J., Joo O.S., and Jung K.D. Appl. Catal. A 330 (2007) 57
17. López C.M., Ramirez L., Sazo V., and Escobar V. Appl. Catal. A 340 (2008) 1
18. Sinha A.K., and Seelan S. Appl. Catal. A 270 (2004) 245
19. Meriaudeau P., Tuan V.A., Nghiem V.T., Lai S.Y., Hung L.H., and Naccache C. J. Catal. 169 (1997) 55
20. Sinha A.K., and Sivasanker S. Catal. Today 49 (1999) 293
21. López C.M., Guillén Y., García L., Gómez L., and Ramírez A. Catal. Lett. 122 (2008) 267
22. Zhang S., Li Chen S., Dong P., Yuan G., and Xu K. Appl. Catal. A 332 (2007) 46
23. Liu P., Ren J., and Sun Y. Catal. Commun. 9 (2008) 1804
24. Hochtl M., Jentys A., and Vinek H. J. Catal. 190 (2000) 419
25. Machado F., López C.M., Campos Y., Bolívar A., and Yunes S. Appl. Catal. A 226 (2002) 241
26. Sierraalta A., Guillen Y., López C.M., Martínez R., Ruette F., Machado F., Rosa-Brussin M., and Soscún H. J. Mol. Catal. A 242 (2005) 233
27. Akolekar D.B., Foran G., and Bhargava S.K. J. Synchrotron Rad. 11 (2004) 284
28. Gaussian 03, Revisión B04, Gaussian Inc., Pittsburg, PA, 2003.
29. Sierraalta A., Añez R., and Ehrmann E. J. Mol. Catal. A 271 (2007) 185
30. Solans-Monfort X., Sodupe M., Branchadell V., Sauer J., Orlando R., and Ugliengo P. J. Phys. Chem. B 109 (2005) 3539
31. Fermann J.T., Moniz T., Kiowski O., McIntire T.J., Auerbach S.M., Vreven T., and Frisch M.J. J. Chem. Theory Comput. 1 (2005) 1232
32. Namuangruk S., Pantu P., and Limtraku J. J. Catal. 225 (2004) 523
33. Namuangruk S., Tantanak D., and Limtraku J. J. Mol. Catal. A: Chem. 256 (2006) 113
34. Lomratsiri J., Probost M., and Limtraku J. J. Mol. Graphics Modell. 25 (2006) 219
35. Jiang N., Yuan S., Wuang J., Qin Z., Jiao H., and Li Y.-W. J. Mol. Catal. A 232 (2005) 59
36. Gao Z.-X., Sun Q., Chen H.-Y., Wang X., and Sachtler W.M.H. Catal. Lett. 72 (2001) 1
37. Mohamed M.M., Salama T.M., Ohnishi R., and Ichikawa M. Langmuir 17 (2001) 5678
38. Mohamed M.M., Salama T.M., and Ichikawa M. J. Colloid Inter. Sci. 224 (2000) 366
39. Fierro-Gonzalez J.C., and Gates B.C. Chem. Soc. Rev. 37 (2008) 2127
40. Tuzovskaya I., Bogdanchikova N., Simakov A., Gurin V., Pestryakov A., Avalos M., and Fari{dotless}as M.H. Chem. Phys. 338 (2007) 23
41. Simakov A., Tuzovskaya I., Bogdanchikova N., Pestryakov A., Avalos M., Farias M.H., and Smolentseva E. Catal. Commun. 9 (2008) 1277
42. Greenwood N.N., and Earnshow A. Chemistry of the Elements (1984), Pergamon, Oxford
43. Lachkar A., Selmani A., Sacher E., Leclerc M., and Mokhliss R. Synth. Met. 66 (1994) 209
44. Elfeninat F., Fredriksson C., Sacher E., and Selmani A. J. Chem. Phys. 102 (1995) 6153
45. Honda M., Baba Y., Hirao N., and Sekiguchi T. J. Phys.: Conf. Series 100 (2008) 052071
46. Ito E., Noh J., and Hara M. Surf. Sci. 602 (2008) 3291
47. Higai S., Nara J., and Ohno T. J. Chem. Phys. 121 (2004) 970
48. Dishner M.H., Hemminger J.C., and Feher F.J. Langmuir 12 (1996) 6176
49. Matsuura T., Nakajima M., and Shimoyama Y. Jpn. J. Appl. Phys. 40 (2001) 6945
50. Noh J., Ito E., Nakajima K., Kim J., Lee H., and Hara M. J. Phys. Chem. B 106 (2002) 7139
51. Noh J., Ito E., Araki T., and Hara M. Surf. Sci. 532-535 (2003) 1116
52. Ito E., Noh J., and Hara M. Jpn. J. Appl. Phys. 42 (2003) L852
53. Sako E.O., Kondoh H., Nakai I., Nambu A., Nakamura T., and Ohta T. Chem. Phys. Lett. 413 (2005) 267
54. Liu G., Rodriguez J.A., Dvorak J., Hrbek J., and Jirsak T. Surf. Sci. 505 (2002) 295
55. Nambu A., Kondoh H., Nakai I., Amemiya K., and Ohta T. Surf. Sci. 530 (2003) 101
56. Venezia A.M., La Parola V., Nicol V., and Deganello G. J. Catal. 212 (2002) 56
57. Sullivan D.L., and Ekerdt J.G. J. Catal. 178 (1998) 226
58. Rodriguez J.A., Liu P., Takahashi Y., Nakamura K., Viñes F., and Illas F. J. Am. Chem. Soc. 131 (2009) 8595
59. Yao X.Q., Li Y.W., and Jiao H. J. Molec. Struct.: THEOCHEM 726 (2005) 81
60. Prins R., Egorova M., Rothlisberger A., Zhao Y., Sivasankar N., and Kukula P. Catal. Today 111 (2006) 84
61. Saintigny X., van Santen R.A., Clemendot S., and Hutschka F. J. Catal. 183 (1999) 107
62. Startsev A.N. J. Mol. Catal. A 152 (2000) 1
63. Joshi Y., Ghosh P., Daage M., and Delgass W.N. J. Catal. 257 (2008) 71
64. Hinnemann B., Moses P.G., and Nørskov J. J. Phys.: Condens. Mat. 20 (2008) 1
65. Moses P.G., Hinnemann B., Topsøe H., and Nørskov J. J. Catal. 248 (2007) 188
66. Besenbacher F., Brorson M., Clausen B.S., Helveg S., Hinnemann B., Kibsgaard J., Lauritsen J.V., Moses P.G., Nørskov J.K., and Topsøe H. Catal. Today 130 (2008) 86
67. Suo Z., Lv A., Lv H., Jin M., and He T. Catal. Commun. 10 (2009) 1174