Interaction of water and methanol with a zeolite at high coverages

Chemical Physics Letters

Volumn 253, Issue 5-6, 1996, Pages 448-455

  Nusterer, E ^a   Blochl P E ^b   Schwarz, K ^a  

^a VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

^b IBM RESEARCH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0030578068     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(96)00273-4     Document Type: Article

References (27)

1. [1] A. Ison and R.J. Gorte, J. Catal. 89 (1984) 150.
2. [2] G. Mirth, J.A. Lercher, M.W. Anderson and J. Klinowski, J. Chem. Soc. Faraday Trans. 86 (1990) 3039.
3. [3] G. Mirth, A. Kogelbauer and J.A. Lercher, in: Proceedings of the 9th Intern. Zeolite Conf., Montreal, Canada, 1992, Vol. II, eds. R. von Ballmoos, J.B. Higgins and M.M.J. Treacy (Butterworth-Heinemann, Boston, 1993) p. 251.
4. [4] A. Jentys, G. Warecka, M. Derewinski and J.A. Lercher, J. Phys. Chem. 83 (1989) 4837.
5. [5] A.G. Pelmenschikov, R.A. van Santen, J. H.M.C. Wolputa and J. Jänchen, Stud. Surface Sci. Catal. 84 (1994) 2179.
6. [6] F. Haase and J. Sauer, J. Am. Chem. Soc. 117 (1995) 3780.
7. [7] S. Bates and J. Dwyer, J. Mol. Struct. THEOCHEM 306 (1994) 57.
8. [8] L.M. Parker, D.M. Bibby and G.R. Burns, Zeolites 13 (1993) 107.
9. [9] J. Sauer, H. Horn, M. Häser and R. Ahlrichs, Chem. Phys. Letters 173 (1990) 26.
10. [10] J. Sauer, Ch. Kölmel, F. Haase and R. Ahlrichs, in: Proceedings of the 9th Intern. Zeolite Conf., Montreal, Canada, 1992, Vol. II, eds. R. von Ballmoos, J.B. Higgins and M.M.J. Treacy (Butterworth-Heinemann, Boston, 1993) p. 679.
11. [11] A.G. Pelmenschikov and R.A. van Santen, J. Phys. Chem. 97 (1993) 10678.
12. [12] L. Marchese, J. Chen, P.A. Wright and J.M. Thomas, J. Phys. Chem. 97 (1993) 8109.
13. [13] E. Nusterer, P.E. Blöchl and K. Schwarz, Angew. Chem. 108 (1996) 187; Angew. Chem. Intern. Ed. 35 (1996) 175.
14. [13] E. Nusterer, P.E. Blöchl and K. Schwarz, Angew. Chem. 108 (1996) 187; Angew. Chem. Intern. Ed. 35 (1996) 175.
15. [14] K. Schwarz, E. Nusterer, P.E. Blöchl and P. Margl, Intern. J. Quantum Chem. (1996), in press.
16. [15] A. Kogelbauer, A.A. Nikolopoulos, J.G. Goodwin Jr. and G. Marcelin, J. Catal. 152 (1995) 122.
17. [16] R. Buzzoni, S. Bordiga, F. Geobaldo, G. Spoto, G. Ricchardi and Z. Zecchina, Lecture at Europacat II Conf., Maastricht, The Netherlands, 1995.
18. [17] W. Kohn and L.J. Sham, Phys. Rev. 140 (1965) A1133.
19. [18] A.D. Becke, J. Chem. Phys. 96 (1992) 2155.
20. [19] J.P. Perdew, Phys. Rev. B 33 (1986) 8822.
21. [20] P.E. Blöchl, Phys. Rev. B 50 (1994) 17953.
22. [21] R. Car and M. Parrinello, Phys. Rev. Letters 55 (1985) 2471.
23. [22] M. Tuckerman, K. Laasonen, M. Sprik and M. Parrinello, J. Phys. Chem. 103 (1995) 150.
24. [23] M.P. Allen and D.J. Tildesley, Computer simulations of liquids (Oxford Univ. Press, Oxford, 1989).
25. [24] M. Parrinello, private communication.
26. [25] D.M. Bibby and M.P. Dale, Nature 317 (1985) 157.
27. [26] H. Krossner and J. Sauer, Abstract presented at ZEOCAT'95, Szombathely, Hungary, 1995.