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

  • Muhammad Sahimi (a1), Theodore T. Tsotsis (a1) and Mario L. Occelli (a2)

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.

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 Occelli, M. L., Hwu, F. and Hightower, J. W., Preprints 182nd ACS Meeting, NY, 1981 (unpublished).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

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

  • Muhammad Sahimi (a1), Theodore T. Tsotsis (a1) and Mario L. Occelli (a2)

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