Hostname: page-component-78c5997874-g7gxr Total loading time: 0 Render date: 2024-11-02T22:54:28.610Z Has data issue: false hasContentIssue false
  • English
  • Français

Computer Simulations of Diffusion, Adsorption and Reaction of Organic Molecules in Pillared Clays

Published online by Cambridge University Press:  28 February 2011

Muhammad Sahimi ,
Theodore T. Tsotsis  and
Mario L. Occelli
Muhammad Sahimi
Affiliation:
Departmnent of Chemical Engineering, University of Southern California, Los Angeles, California 90089-1211
Theodore T. Tsotsis
Affiliation:
Departmnent of Chemical Engineering, University of Southern California, Los Angeles, California 90089-1211
Mario L. Occelli
Affiliation:
Unocal Science and and Technology Division, Unocal Oil Company of California, P. 0. Box 76, Brea, California 92621
Get access

Abstract

Diffusion and reaction of large organic molecules in pillared clays, a new class of catalysts capable of converting gas oil into transportation fluids, is investigated. We first discuss some recent experimental data and point out the possible difficulties for obtaining accurate data. We, then, discuss a new model for describing diffusion and reaction of large organic molecules in pillared clays. The model employs stochastic and random walk concepts to model the diffusion process, and a dynamic Monte Carlo method for predicting various properties of interest, such as the effective diffusivity of the molecules.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 111: Symposium O – Microstructure and Properties of Catalysts , 1987 , 271
Copyright
Copyright © Materials Research Society 1988

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1. Sahimi, M., Hughes, B. D., Scriven, L. E. and Davis, H. T., J. Chem. Phys. 78, 6849 (1983).Google Scholar
2. Sahimi, M., Chem. Eng. Sci. in press (1988); Mojaradi, R. and Sahimi, M., Chem. Eng. Sci. in press (1988).Google Scholar
3. Mo, W. T. and Wei, J., Chem. Eng. Sci. 41, 703 (1986).Google Scholar
4. Bhattia, S. K., J. Catal. 93, 192 (1986).CrossRefGoogle Scholar
5. Barrer, R. M., Zeolites and Clay Minerals as Sorbents and Molecular Sieves (Academic Press, New York, 1978).Google Scholar
6. Grim, R. E., Clay Mineralogy (McGraw-Hill, New York, 1968).Google Scholar
7. Vaughan, D. E. W., Lussier, R. J. and Magee, J. S., U. S. Patent No. 4 175 090 (1979).Google Scholar
8. Lahav, N., Shani, V. and Shabtai, J., Clays and Clay Minerals, 26, 107 (1978).Google Scholar
9. Occelli, M. L., Hwu, F. and Hightower, J. W., Preprints 182nd ACS Meeting, NY, 1981 (unpublished).Google Scholar
10. Occelli, M. L., Parulekar, V. N. and Hightower, J. W., Proc. 8th Inter. Congress Catalysis, Volume IV, (Berlin, 1984) p. 725.Google Scholar
11. Occelli, M. L., Innes, R. A., Hwu, F. S. S. and Hightower, J. W., Applied Catalysis 14, 69 (1985).Google Scholar
12. Occelli, M. L. and Tindwa, R. W., Clays and Clay Minerals 31, 22 (1980).Google Scholar
13. Occelli, M. L., I & EC Prod. Res. Dev. Journal, 22(4), 553 (1983).Google Scholar
14. Sahimi, M., Tsotsis, T. T. and Occelli, M. L., submitted for publication.Google Scholar
15. Garcia, S. and Weisz, P. B., paper 16b presented at 1987 AIChE Annual Meeting, NY, Nov. 1987.Google Scholar
16. Stauffer, D., Introduction to Percolation Theory (Taylor and Francis, London, 1985):Google Scholar