Adsorption of alcohols on γ-alumina (1 1 0 C)

Journal of Molecular Catalysis A: Chemical

Volumn 193, Issue 1-2, 2003, Pages 157-164

  Cai, Shuhui ^a,b   Sohlberg, Karl ^b  

^a XIAMEN UNIVERSITY   (China)

^b DREXEL UNIVERSITY   (United States)

Author keywords

Alumina; Alcohol molecules; Chemisorption; Dehydration; Semi empirical model

Indexed keywords

ALCOHOLS; ALUMINA; CHEMICAL BONDS; CHEMISORPTION; DEHYDROGENATION; PROTONS;

CATION VACANCY;

ADSORPTION;

2 PROPANOL; ALCOHOL; ALCOHOL DERIVATIVE; ALUMINUM OXIDE; GAMMA ALUMINA; HYDROGEN; HYDROXYL RADICAL; METHANOL; OXIDE; OXYGEN; PROPANOL; UNCLASSIFIED DRUG;

ADSORPTION; ALCOHOL OXIDATION; ANALYTIC METHOD; ARTICLE; BINDING SITE; CALCULATION; CATION TRANSPORT; CHEMISORPTION; DEHYDROGENATION; HYDROGENATION; METAL BINDING; MOLECULAR INTERACTION; ORIENTATION; PROCESS MONITORING; PROTON TRANSPORT; REACTION ANALYSIS; SEMIEMPIRICAL CLUSTER CALCULATION; SURFACE PROPERTY;

EID: 0037450233     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1381-1169(02)00457-0     Document Type: Article

References (31)

1. H. Knözinger, Angew. Chem. Int. Ed. 7 (1968) 791, and references therein.
2. B. Shi, B.H. Davis, J. Catal. 157 (1995) 359, and references therein.
3. C.R. Narayanan, S. Srinivasna, A.K. Satye, R. Gorte, A. Biaglow, J. Catal. 138 (1992) 659.
4. B.C. Shi, H.A. Dabbagh, B.H. Davis, J. Mol. Catal. A 141 (1999) 257.
5. M.T. Xu, J.H. Lunsford, D.W. Goodman, A. Bhattacharyya, Appl. Catal. A 149 (1997) 289.
6. E.C. DeCanio, V.P. Nero, J.W. Bruno, J. Catal. 135 (1992) 444.
7. H. Tachikawa, T. Tsuchida, J. Mol. Catal. A 96 (1995) 277.
8. M.B. Fleisher, L.O. Golender, M.V. Shimanskaya, J. Chem. Soc., Faraday Trans. 87 (1991) 745.
9. H. Kawakami, S. Yoshida, J. Chem. Soc., Faraday Trans. 81 (1985) 1117, 1129.
10. O. Maresca, A. Allouche, J.P. Aycard, M. Rajzmann, S. Clemendot, F. Hutschka, J. Mol. Struct. (Theochem.) 505 (2000) 81.
11. P. Hirva, T.A. Pakkanen, Surf. Sci. 277 (1992) 389.
12. M. Lindblad, T.A. Pakkanen, Surf. Sci. 286 (1993) 333.
13. D.A. De Vito, F. Gilardoni, L. Kiwi-Minsker, P.-Y. Morgantini, S. Porchet, A. Renken, J. Weber, J. Mol. Struct. (Theochem.) 469 (1999) 7.
14. K. Sohlberg, S.J. Pennycook, S.T. Pantelides, J. Am. Chem. Soc. 121 (1999) 10999, and references therein.
15. L.J. Alvarez, J.F. Sanz, M.J. Capitán, M.A. Centeno, J.A. Odriozola, J. Chem. Soc., Faraday Trans. 89 (1993) 3623.
16. R.-S. Zhou, R.L. Snyder, Acta Cryst. B47 (1991) 617, and references therein.
17. H. Knözinger, P. Ratnasamy, Catal. Rev. Sci. Eng. 17 (1978) 31.
18. Y. Chen, L. Zhang, Catal. Lett. 12 (1992) 51.
19. P.D. Nellist, S.J. Pennycook, Science 274 (1996) 413.
20. D. Coster, A.L. Blumenfeld, J.J. Fripiat, J. Phys. Chem. 98 (1994) 6201.
21. J.J.P. Stewart, J. Comput. Chem. 10 (1989) 209; J.J.P. Stewart, J. Comput. Chem. 10 (1989) 221.
22. J.J.P. Stewart, J. Comput. Chem. 10 (1989) 209; J.J.P. Stewart, J. Comput. Chem. 10 (1989) 221.
23. E.P. Smirnov, A.A. Tsyganenko, React. Kinet. Catal. Lett. 7 (1977) 425.
24. E.P. Smirnov, A.A. Tsyganenko, React. Kinet. Catal. Lett. 26 (1984) 405.
25. A.B.J. Parusel, W. Rettig, W. Sudholt, J. Phys. Chem. A 106 (2002) 804.
26. E.D. Raczynska, M. Darowska, T. Rudka, M. Makowski, J. Phys. Org. Chem. 14 (2001) 770.
27. P.U. Civcir, J. Mol. Struct. (Theochem.) 572 (2001) 5.
28. A. Bere, J. Chen, A. Hairie, G. Nouet, E. Paumier, Comput. Mater. Sci. 17 (2000) 249.
29. A.P. Scott, L. Radom, J. Phys. Chem. 100 (1996) 16502.
30. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, N. Rega, P. Salvador, J.J. Dannenberg, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian 98, Revision A.11.3, Gaussian Inc., Pittsburgh, PA, 2002.
31. A.A. Tsyganenko, P.P. Mardilovich, J. Chem. Soc., Faraday Trans. 92 (1996) 4843.