Theoretical study of the cracking mechanisms of linear α-olefins catalyzed by zeolites

Applied Surface Science

Volumn 254, Issue 2, 2007, Pages 604-609

  Guo, Yu Hua ^a   Pu, Min ^a   Wu, Jing Yi ^a   Zhang, Jia Ying ^a   Chen, Biao Hua ^a  

^a BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY   (China)

Author keywords

Cracking; Density functional theory; Olefin; Reaction mechanism; Zeolite

Indexed keywords

ACTIVATION ENERGY; COORDINATE MEASURING MACHINES; CRACK INITIATION; DENSITY FUNCTIONAL THEORY; RATE CONSTANTS; ZEOLITES;

CRACKING MECHANISMS; INTRINSIC REACTION COORDINATE ANALYSIS; REACTION MECHANISM;

OLEFINS;

EID: 35348840861     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2007.06.039     Document Type: Article

References (50)

1. den Hollander M.A., Wissink M., Makkee M., and Moulijn J.A. Appl. Catal. A 223 (2002) 85
2. Guerzoni F.N., and Abbot J. Appl. Catal. A 120 (1994) 55
3. Buchanan J.S., Olson D.H., and Schramm S.E. Appl. Catal. A 220 (2001) 223
4. Whitmore F.C. Ind. Eng. Chem. 26 (1934) 94
5. Buchanan J.S., Santiesteban J.G., and Haag W.O. J. Catal. 158 (1996) 279
6. Corma A. Chem. Rev. 95 (1995) 559
7. Stepanov A.G., Arzumanov S.S., Luzgin M.V., Ernst H., and Freude D. J. Catal. 229 (2005) 243
8. Malkin V.G., Chesnokov V.V., Paukshtis E.A., and Zhidomirov G.M. J. Am. Chem. Soc. 112 (1990) 666
9. Boronat M., Viruela P., and Corma A. J. Phys. Chem. A 102 (1998) 982
10. Kazansky V.B. Catal. Today 51 (1999) 419
11. Nieminen V., Sierka M., Murzin D.Y., and Sauer J. J. Catal. 231 (2005) 393
12. Gorte R.J., and White D. Top. Catal. 4 (1997) 57
13. Hay P.J., Redonod A., and Guo Y. Catal. Today 50 (1999) 517
14. Rigby A.M., Kramer G.J., and van Santen R.A. J. Catal. 170 (1997) 1
15. Narbeshuber T.F., Vinek H., and Lercher J.A. J. Catal. 157 (1995) 388
16. Benco L., Hafner J., Hutschka F., and Toulhoat H. J. Phys. Chem. B 107 (2003) 9756
17. Arsenova-Härtel N., Bludau H., Schumacher R., Haag W.O., Karge H.G., Brunner E., and Wild U. J. Catal. 191 (2000) 326
18. Arsenova N., Bludau H., Haag W.O., and Karge H.G. Micropor. Mesopor. Mater. 23 (1998) 1
19. Eder F., and Lercher J.A. Zeolites 18 (1997) 75
20. Haag W.O. Stud. Surf. Sci. Catal. 84 (1994) 1375
21. Van de Runstraat A., Stobbelaar P.J., Van Grondelle J., Anderson B.G., Van Ijzendoorn L.J., and Van Santen R.A. Stud. Surf. Sci. Catal. 105 (1997) 1253
22. Denayer J.F., Baron G.V., Souverijns W., Martens J.A., and Jacobs P.A. Ind. Eng. Chem. Res. 36 (1997) 3242
23. Yoda E., Kondo J.N., and Domen K. J. Phys. Chem. B 109 (2005) 1464
24. Zheng X., and Blowers P. J. Mol. Catal. A: Chem. 246 (2006) 1
25. Saeys M., Reyniers M.F., and Marin G.B. J. Phys. Chem. A 107 (2003) 9147
26. Okulik N.B., Diez R.P., and Jubert A.H. J. Phys. Chem. A 108 (2004) 2469
27. Milas I., and Nascimento M.A.C. Chem. Phys. Lett. 338 (2001) 67
28. Plank C.J., and Drake L.C. J. Colloid Sci. 2 (1947) 399
29. Li H.-Y., Pu M., Liu K.-H., Zhang B.-F., and Chen B.-H. Chem. Phys. Lett. 404 (2005) 384
30. Pu M., Li Z.-H., Gong Y.-J., Wu D., and Sun Y.-H. J. Mater. Sci. Lett. 22 (2003) 955
31. Parr R.G., and Yang W. Density-functional Theory of Atoms and Molecules (1989), Oxford University Press, Oxford
32. Becke A.D. Phys. Rev. A 38 (1988) 3098
33. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
34. Gonzalez C., and Schlegel H.B. J. Chem. Phys. 90 (1989) 2154
35. Gonzalez C., and Schlegel H.B. J. Phys. Chem. 94 (1990) 5523
36. Frisch M.J., Trucks G.W., Schlegel H.B., et al. Gaussian 03, Revision B.04 (2003), Gaussian Inc., Pittsburgh PA
37. Abbot J., and Wojciechowski B.W. Can. J. Chem. Eng. 63 (1985) 462
38. Buchanan J.S. Appl. Catal. 74 (1991) 83
39. Derouane E.G., Andre J.-M., and Lucas A.A. J. Catal. 110 (1988) 58
40. Mortier W.J. Stud. Surf. Sci. Catal. 37 (1988) 253
41. Datka J., and Boczar M. React. Kinet. Catal. Lett. 51 (1993) 161
42. van Bokhoven J.A., Williams B.A., Ji W., Koningsberger D.C., Kung H.H., and Miller J.T. J. Catal. 224 (2004) 50
43. Sun M.S., Talu O., and Shah D.B. J. Phys. Chem. 100 (1996) 17276
44. Denayer J.F., Baron G.V., Martens J.A., and Jacobs P.A. J. Phys. Chem. B 102 (1998) 3077
45. Eder F., and Lercher J.A. J. Phys. Chem. B 101 (1997) 1273
46. Narbeshuber T.F., Brait A., Seshan K., and Lercher J.A. J. Catal. 172 (1997) 127
47. Temkin M.I. Adv. Catal. 28 (1979) 173
48. Babitz S.M., Williams B.A., Miller J.T., Snurr R.Q., Haag W.O., and Kung H.H. Appl. Catal. A 179 (1999) 71
49. Xu B., Sievers C., Hong S.B., Prins R., and van Bokhoven J.A. J. Catal. 244 (2006) 163
50. Corma A., and Ortega F.J. J. Catal. 233 (2005) 257