Abstract
The use of molecular graphics procedures to simulate hydrocarbon processes in zeolites is described. Calculations of heats of adsorption, activation energies for diffusion, and the location of solute molecules are considered, and a methodology for simulating an isomerisation reaction in a shape-selective zeolite catalyst is discussed.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
Adams J M and Haselden D A 1984J. Solid State Chem. 55 209
Bezus A G, Kocirik M and Lopatkin A A 1984Zeolites 4 346
Corma A, Cortés A, Nebot I and Tomás F 1979J. Catal. 57 444
Fitch A N, Jobic H and Renouprez A 1985J. Chem. Soc., Chem. Commun. 284
Kiselev A V, Bezus A G, Lopatkin A A and Pham Quang Du 1978J. Chem. Soc., Faraday Trans. II74 367
Kiselev A V and Pham Quang Du 1981J. Chem. Soc. 77 1
Nebot I, Tomás F and Zabala I 1981J. Catal. 71 41
Pfeifer H 1981Sitzungberichte der akademie der Wissenschaften der DDR (Berlin: Akademic Verlag) IN, 16
Rabo J A (ed.) 1976Zeolite chemistry and catalysis Monograph 171 (Am. Chem. Soc.)
Ramdas S, Thomas J M, Betteridge P W, Cheetham A K and Davies E K 1984Angew. Chem. 23 671
US Patent 1972 No. 7302886, assigned to Mobil Oil
Wright P A, Thomas J M, Cheetham A K and Nowak A 1985Nature (London) 318 611
Wright P A, Thomas J M, Ramdas S and Cheetham A K 1984J. Chem. Soc., Chem. Commun. 1338
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Cheetham, A.K., Nowak, A.K. & Betteridge, P.W. Applications of molecular graphics to zeolite catalysts. Proc. Indian Acad. Sci. (Chem. Sci.) 96, 411–418 (1986). https://doi.org/10.1007/BF02936295
Issue Date:
DOI: https://doi.org/10.1007/BF02936295