Mechanistic modeling of n-Heptane cracking on HZSM-5

Industrial and Engineering Chemistry Research

Volumn 35, Issue 5, 1996, Pages 1506-1516

  Watson, Beth A ^a   Klein, Michael T ^a   Harding, Robert H ^b  

^a University of Delaware   (United States)

^b W R GRACE AND CO CONN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSTS; CHEMICAL VARIABLES CONTROL; CORRELATION METHODS; DIFFERENTIAL EQUATIONS; FLUID CATALYTIC CRACKING; HYDRIDES; MATHEMATICAL MODELS; OPTIMIZATION; PARAMETER ESTIMATION; REACTION KINETICS;

CARBONIUM ION CRACKING; HEPTANE; HYDRIDE TRANSFER; LINEAR FREE ENERGY RELATIONSHIPS; MECHANISTIC MODELING; POLANYI RELATIONSHIP; SCISSION;

PARAFFINS;

EID: 0030150472     PISSN: 08885885     EISSN: None     Source Type: Journal    
DOI: 10.1021/ie950579n     Document Type: Article

References (36)

1. Abbot, J.; Wojciechowski, B. W. The Mechanism of Catalytic Cracking of n-Alkenes on ZSM-5 Zeolite. Can. J. Chem. Eng. 1985, 63, 462-469.
2. Bhore, N. A.; Klein, M. T.; Bischoff, K. B. The Delplot Technique: A New Method for Reaction Pathway Analysis. Ind. Eng. Chem. Res. 1990, 29, 313-316.
3. Broadbelt, L. J.; Stark, S. M.; Klein, M. T. Computer Generated Pyrolysis Modeling: On-the-Fly Generation of Species, Reactions, and Rates. Ind. Eng. Chem. Res. 1994, 33, 790-799.
4. Coopmans, J. F.; Mars, P.; de Groot, R. L. Kinetics of Vacuum Gas Oil Cracking on a Zeolitic Catalyst. Ind. Eng. Chem. Res. 1992, 31, 2093-2103.
5. Corma, A.; Planelles, J.; Sanchez-Marin, J.; Tomas, F. The Role of Different Types of Acid Site in the Cracking of Alkanes on Zeolite Catalysts. J. Catal. 1985, 93, 30-37.
6. Corma, A.; Miguel, P. J.; Orchilles, A. V.; Koermer, G. S. Cracking of Long-Chain Aromatics on USY Zeolite Catalysts. J. Catal. 1992, 135, 45-59.
7. Dumesic, J. A.; Rudd, D. F.; Aparicio, L. M.; Rekoske, J. E.; Trevino, A. A. The Microkinetics of Heterogeneous Catalysis; American Chemical Society: Washington, DC, 1993.
8. Evans, M. G.; Polanyi, M. Inertia and Driving Force of Chemical Reactions. Trans. Faraday Soc. 1938, 34, 11.
9. Frilette, V. J.; Haag, W. O.; Lago, R. M. Catalysis by Crystalline Aluminosilicates: Characterization of Intermediate Pore-Size Zeolites by the Constraint Index. J. Catal. 1981, 67, 218-222.
10. Gates, B. C. Catalytic Chemistry; John Wiley & Sons: New York, 1992.
11. Gates, B. C.; Katzer, J. R.; Schuit, G. C. A. Chemistry of Catalytic Processes; McGraw-Hill: New York, 1979.
12. Good, G. M.; Voge, H. H.; Greensfelder, B. S. Catalytic Cracking of Pure Hydrocarbons. Ind. Eng. Chem. 1947, 39, 1032-1036.
13. Greensfelder, B. S.; Voge, H. H. Catalytic Cracking of Pure Hydrocarbons. Ind. Eng. Chem. 1945, 37, 514-520.
14. Groten, W. A.; Wojciechowski, B. W. The Kinetics of Hydrocarbon Cracking. J. Catal. 1993, 140, 262-280.
15. Haag, W. O.; Dessau, R. M. Duality of Mechanism for Acid-Catalyzed Paraffin Cracking. In Proceedings, Eighth International Congress on Catalysis, Berlin, 1984; Dechema: Frankfurtam-Main, 1984; Vol. 2, pp 305-316.
16. Hammett, L. P. The Effect of Structure upon the Reactions of Organic Compounds. Benzene Derivatives. J. Am. Chem. Soc. 1937, 59, 96-103.
17. Jacob, S. M.; Gross, B.; Voltz, S. E.; Weekman, V. W. J. A Lumping and Reaction Scheme for Catalytic Cracking. AIChE J. 1976, 22, 701-713.
18. John, T. M.; Wojciechowski, B. W. On Identifying the Primary and Secondary Products of the Catalytic Cracking of Neutral Distillates. J. Catal. 1975, 37, 240-250.
19. Korre, S. C. Quantitative Structure/Reactivity Correlations as a Reaction Engineering Tool: Applications to Hydrocracking of Polynuclear Aromatics. Ph.D. Thesis, University of Delaware, 1994.
20. Krannila, H.; Haag, W. O.; Gates, B. C. Monomolecular and Bimolecular Mechanisms of Paraffin Cracking: n-Butane Cracking Catalyzed by HZSM-5. J. Catal. 1992, 135, 115-124.
21. LaMarca, C. Kinetic Coupling in Multicomponent Pyrolysis Systems. Ph.D. Thesis, University of Delaware, 1992.
22. Liguras, D. K.; Allen, D. T. Structural Models for Catalytic Cracking. 1. Model Compound Reactions. Ind. Eng. Chem. Res. 1989a, 28, 665-673.
23. Liguras, D. K.; Allen, D. T. Structural Models for Catalytic Cracking. 2. Reactions of Simulated Oil Mixtures. Ind. Eng. Chem. Res. 1989b, 28, 674-683.
24. Liguras, D. K.; Neurock, M.; Klein, M. T.; Stark, S.; Libanati, C.; Nigam, A.; Foley, H. C.; Bischoff, K. B. Monte Carlo Simulation of Complex Reactive Mixture: an FCC Case Study. AIChE Symp. Ser. 1992, 88, 68-75.
25. Lowry, T. H.; Richardson, K. S. Mechanism and Theory in Organic Chemistry, 3rd ed.; Harper & Row: New York, 1987.
26. Mochida, I.; Yoneda, Y. Linear Free Relationships in Heterogeneous Catalysis 1. Dealkylation of Alkylbenzenes on Cracking Catalysts. J. Catal. 1967, 7, 386-392.
27. Nace, D. M. Catalytic Cracking Over Crystalline Aluminosilicates. I. Instantaneous Rate Measurements for Hexadecane Cracking. Ind. Eng. Chem. Prod. Res. Dev. 1969, 8, 24-31.
28. Neurock, M. A Computational Chemical Reaction Engineering Analysis of Complex Heavy Hydrocarbon Reaction Systems. Ph.D. Thesis, University of Delaware, 1992.
29. Neurock, M.; Klein, M. T. When you can't measure - model. CHEMTECH 1993, 23 (9), 26-32.
30. Semenov, N. N. Some Problems in Chemical Kinetics and Reactivity, Princeton University: Princeton, NJ, 1958.
31. Shertukde, P. V.; Marcelin, G.; Sill, G. A.; Hall, K. W. Study of the Mechanism of the Cracking of Small Alkane Molecules on HY Zeolites. J. Catal. 1992, 136, 446-462.
32. Shiralkar, V. P.; Clearfield, A. Synthesis of the Molecular Sieve ZSM-5 without the Aid of Templates. Zeolites 1989, 9, 363-370.
33. Stark, S. M. An Investigation of the Applicability of Parallel Computation to Demanding Chemical Engineering Problems. Ph.D. Thesis, University of Delaware, 1993.
34. Stewart, J. J. P. Semiempirical Molecular Orbital Methods. In Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York, 1989; pp 45-81.
35. Weekman, V. W.; Nace, D. M. Kinetics of Catalytic Cracking Selectivity in Fixed, Moving, and Fluid Bed Reactors. AIChE J. 1970, 16, 397-404.
36. Wojciechowski, B. W.; Corma, A. Catalytic Cracking; Marcel Dekker: New York, 1986.