Theoretical studies of IM-12 zeolite for acidic catalysts

Microporous and Mesoporous Materials

Volumn 115, Issue 3, 2008, Pages 261-266

  Kang, Lihua ^a   Deng, Weiqiao ^b   Zhang, Tao ^a   Liu, Zhongmin ^a   Han, Ke Li ^a  

^a DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

^b NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

Author keywords

Acidity; Density functional theory; IM 12; Molecular dynamics; Zeolite

Indexed keywords

ALUMINUM; CATALYSIS; GALLIUM; PROBABILITY DENSITY FUNCTION; SILICATE MINERALS; SILICON;

ACIDIC CATALYSTS; ACIDITY; GENERALIZED GRADIENT APPROXIMATIONS; IM-12; LOCAL-DENSITY; MOLECULAR DYNAMICS; ORGANIC MOLECULES; QUANTUM-MECHANICAL; ZEOLITE;

DENSITY FUNCTIONAL THEORY;

EID: 50349089657     PISSN: 13871811     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.micromeso.2008.01.042     Document Type: Article

References (73)

1. Davis M.E., Saldarriaga C., Montes C., Garces J., and Crowder C. Nature 331 (1988) 698
2. Corma A., Díaz-Cabañas M.J., Rey F., Nicolopoulus S., and Boulahya K. Chem. Commun. 12 (2004) 1356
3. Freyhardt C.C., Tsapatsis M., Lobo R.F., Balkus K.J., and Davis M.E. Nature 381 (1996) 295
4. Lobo R.F., Tsapatsis M., Freyhardt C.C., Khodabandeh S., Wagner P., Chen C.Y., Balkus K.J., Zones S.I., and Davis M.E. J. Am. Chem. Soc. 119 (1997) 474
5. Wagner P., Yoshikawa M., Lovallo M., Tsuji K., Tsapatsis M., and Davis M.E. Chem. Commun. 22 (1997) 2179
6. Strohmaier K.G., and Vaughan D.E.W. J. Am. Chem. Soc. 125 (2003) 16035
7. Burton A., Elomari S., Chen C.Y., Medrud R.C., Chan I.Y., Bull L.M., Kibby C., Harris T.V., Zones S.I., and Vittoratos E.S. Chem. Eur. J. 9 (2003) 5737
8. Cheetham T., Fjellvag H., Gier T.E., Kongshaug K.O., Lillerud K.P., and Stucky G.D. Stud. Surf. Sci. Catal. 135 (2001) 788
9. Corma A., Díaz-Cabañas M.J., Jordá J.L., Martínez C., and Moliner M. Nature 443 (2006) 842
10. Martinez-Triguero J., Diaz-Cabanas M.J., Camblor M.A., Fornes V., Maesen Th.L.M., and Corma A. J. Catal. 182 (1999) 463
11. Paillaud J.L., Harbuzaru B., Patarin J., and Bats N. Science 304 (2004) 990
12. Limtrakul J., and Tantanak D. Chem. Phys. 208 (1996) 331
13. Suib S.L. Chem. Rev. 93 (1993) 803
14. Kortunov P., Vasenkov S., Kärger J., Elia M.F., Perez M., Stöcker M., Papadopoulos G.K., Theodorou D., Drescher B., McElhiney G., Bernauer B., Krystl V., Kocirik M., Zikanova A., Jirglova H., Berger C., Gläser R., Weitkamp J., and Hansen E.W. Chem. Mater. 17 (2005) 2466
15. Gomez S., Giraldo O., Garces L.J., Villegas J., and Suib S.L. Chem. Mater. 16 (2004) 2411
16. Gomez S., Garces L.J., Villegas J., Ghosh R., Giraldo O., and Suib S.L. J. Catal. 233 (2005) 60
17. Hincapie B.O., Garces L.J., Gomez S., Ghosh R., and Suib S.L. Catal. Today 110 (2005) 323
18. Luo J., Zhang Q.H., Huang A.M., and Suib S.L. Micropor. Mesopor. Mater. 36 (2000) 209
19. Mostad H.B., Stoecker M., Karlsson A., and Rørvik T. Appl. Catal. A 144 (1996) 305
20. Niwa M., Nishikawa S., and Katada N. Micropor. Mesopor. Mater. 82 (2005) 105
21. Ruiz-Salvador A.R., Lewis D.W., Rubayo-Soneira J., Rodriguez-Fuentes G., Sierra L.R., and Catlow C.R.A. J. Phys. Chem. B 102 (1998) 8417
22. Viruela-Martin P., Zicovich-Wilson C.M., and Corma A. J. Phys. Chem. 97 (1993) 13713
23. Strodel P., Neyman K.M., Knözinger H., and Rösch N. Chem. Phys. Lett. 240 (1995) 547
24. Stave M.S., and Nicholas J.B. J. Phys. Chem. 99 (1995) 15046
25. Wang Y., Zhuang J.Q., Yang G., Zhou D.H., Ma D., Han X.W., and Bao X.H. J. Phys. Chem. B 108 (2004) 1386
26. Hou T.J., Zhu L.L., and Xu X.J. J. Phys. Chem. B 104 (2000) 9356
27. Paoli H., Méthivier A., Jobic H., Krause C., Pfeifer H., Stallmach F., and Kärger J. Micropor. Mesopor. Mater. 55 (2002) 147
28. Jobic H., Ernst H., Heink W., Kärger J., Tuel A., and Bée M. Micropor. Mesopor. Mater. 26 (1998) 67
29. Kortunov P., Vasenkov S., Karger J., Valiullin R., Gottschalk P., Fe Elia M., Perez M., Stocker M., Drescher B., McElhiney G., Berger C., Glaser R., and Weitkamp J. J. Am. Chem. Soc. 127 (2005) 13055
30. Gjerdaker L., Aksnes D.W., Sorland G.H., and Stocker M. Micropor. Mesopor. Mater. 42 (2001) 89
31. Courivaud F., Hansen E.W., Kolboe S., Karlsson A., and Stöcker M. Micropor. Mesopor. Mater. 37 (2000) 223
32. Courivaud F., Hansen E.W., Karlsson A., Kolboe S., and Stöcker M. Micropor. Mesopor. Mater. 35 (2000) 327
33. Sayeed A., Mitra S., Kumar A.V.A., Mukhopadhyay R., Yashonath S., and Chaplot S.L. J. Phys. Chem. B 107 (2003) 527
34. Sastre G., Corma A., and Catlow C.R.A. Top. Catal. 9 (1999) 215
35. Al-Khattaf S., and de Lasa H.I. Appl. Catal. A 226 (2002) 139
36. 3, version 3.1 from Accelrys: .
37. Delley B. J. Chem. Phys. 92 (1990) 508
38. Delley B. J. Phys. Chem. 100 (1996) 6107
39. Delley B. J. Chem. Phys. 113 (2000) 7756
40. Becke A.D. Phys. Rev. A 38 (1998) 3098
41. Hehre W.J., Radom L., Schleyer P.R., and Pople J.A. Ab Initio Molecular Orbital Theory (1986), Wiley, New York
42. Delly B. Phys. Rev. B 65 (2002) 085403
43. Sastre G., Pulido A., and Corma A. Chem. Commun. 18 (2005) 2357
44. Blasco T., Corma A., Diaz-Cabanas M.J., Rey F., Vidal-Moya J.A., and Zicovich-Wilson C.M. J. Phys. Chem. B 106 (2002) 2634
45. Sastre G., Pulido A., and Corma A. Micropor. Mesopor. Mater. 82 (2005) 159
46. Zwijnenburg M.A., Bromley S.T., Jansen J.C., and Maschmeyer T. Micropor. Mesopor. Mater. 73 (2004) 171
47. Meier W.M., Olson D.H., and Baerlocher C. Atlas of Zeolite Structure Types. fourth ed. (1996), Elsevier, Amsterdam.
48. Sastre G., Raj N., Catlow C.R.A., Roque-Malherbe R., and Corma A. J. Phys. Chem. B 102 (1998) 3198
49. De Luca G., Pullumbi P., Barbieri G., Fama A.D., Bernardo P., and Drioli E. Sep. Purif. Technol. 36 (2004) 215
50. Baerlocher C., Meier W.M., and Olson D.H. Atlas of Zeolite Framework Types. fifth ed. (2001), Elsevier, Amsterdam
51. Liu J.X., Dong M., Qin Z.F., and Wang J.G. J. Mole. Struct. (Theochem.) 679 (2004) 95
52. Klemm E., Wang J.G., and Emig G. Micropor. Mesopor. Mater. 26 (1998) 11
53. Fried J.R., and Weaver S. Comp. Mater. Sci. 11 (1998) 277
54. Mayo S.L., Olafson B.D., and Goddard W.A. J. Phys. Chem. 94 (1990) 8897
55. Ewald P.P. Ann. Physik 64 (1921) 253
56. Zhou D.H., Bao Y., Yang M.M., He N., and Yang G. J. Mol. Catal. A 244 (2006) 11
57. Zhou D.H., Wang Y., Ma D., and Bao X.H. Chem. J. Chin. Univ. 27 (2002) 207
58. Chatterjee A., Iwasaki T., Ebina T., and Miyamoto A. Micropor. Mesopor. Mater. 21 (1998) 421
59. Yuan S.P., Wang J.G., Li Y.W., and Jiao H.J. J. Phys. Chem. A 106 (2002) 8167
60. Kyrlidis A., Cook S.J., Chakraborty A.K., Bell A.T., and Theodorou D.N. J. Phys. Chem. 99 (1995) 1505
61. Yuan S.P., Wang J.G., Li Y.W., and Peng S.Y. J. Mol. Catal. A 178 (2002) 267
62. Yokomori Y., Wachsmuth J., and Nishi K. Micropor. Mesopor. Mater. 50 (2001) 137
63. Redondo A., and Hay P.J. J. Phys. Chem. 97 (1993) 11754
64. Lo C., and Trout B.L. J. Catal. 227 (2004) 77
65. Elanany M., Koyama M., Kubo M., Selvam P., and Miyamoto A. Micropor. Mesopor. Mater. 71 (2004) 51
66. Elanany M., Vercauteren D.P., Koyama M., Kubo M., Selvam P., Broclawik E., and Miyamoto A. J. Mol. Catal. A 243 (2006) 1
67. Elanany M., Vercauteren D.P., Kubo M., and Miyamoto A. J. Mol. Catal. A 248 (2006) 181
68. Elanany M., Su B.L., and Vercauteren D.P. J. Mol. Catal. A 263 (2006) 195
69. Lee C., Parrillo D.J., Gorte R.J., and Farneth W.E. J. Am. Chem. Soc. 118 (1996) 3262
70. van de Water L.G.A., Zwijnenburg M.A., Sloof W.G., van der Waal J.C., Jansen J.C., and Maschmeyer T. Chem. Phys. Chem. 5 (2004) 1328
71. Zicovich-Wilson C.M., and Corma A. J. Phys. Chem. B 104 (2000) 4134
72. Einstein A. Ann. Phys. (Leipzig) 17 (1905) 549
73. Burton A., Elomari S., Medrud R.C., Chan I.Y., Chen C.Y., Bull L.M., and Vittoratos E.S. J. Am. Chem. Soc. 125 (2003) 1633