Calculation of the optimal macropore size in nanoporous catalysts and its application to DeNOx catalysis

Industrial and Engineering Chemistry Research

Volumn 47, Issue 11, 2008, Pages 3847-3855

  Wang, Gang ^a   Coppens, Marc Olivier ^a,b  

^a Rensselaer Polytechnic Institute   (United States)

^b DELFT UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

EFFECTIVENESS FACTORS; MACRO PORE SIZE; MACRO-PORES; NANO-POROUS;

CATALYSIS;

EID: 46049099881     PISSN: 08885885     EISSN: None     Source Type: Journal    
DOI: 10.1021/ie071550+     Document Type: Article

References (35)

1. Sun, J. H.; Shan, Z.; Maschmeyer, T.; Coppens, M.-O. Synthesis of Bimodal Nano-Structured Silicas with Independently Controlled Small and Large Mesopore Sizes. Langmuir 2003, 19, 8395.
2. Christensen, C. H.; Johannsen, K.; Schmidt, I.; Christensen, C. H. Catalytic Benzene Alkylation over Mesoporous Zeolite Single Crystals: Improving Activity and Selectivity with a New Family of Porous Materials. J. Am. Chem. Soc. 2003, 125, 13370.
3. van Donk, S.; Janssen, A. H.; Bitter, J. H.; de Jong, K. P. Generation, Characterization, and Impact of Mesopores in Zeolite Catalysts. Catal. Rev. Sci. Eng. 2003, 45, 297.
4. Choi, M.; Cho, H. S.; Srivastava, R.; Venkatesan, C.; Choi, D. H.; Ryoo, R. Amphiphilic Organosilane-Directed Synthesis of Crystalline Zeolite with Tunable Mesoporosity. Nat. Mater. 2006, 5, 718.
5. Groen, J. C.; Zhu, W. D.; Brouwer, S.; Huynink, S. J.; Kapteijn, F.; Moulijn, J. A.; Perez-Ramirez, J. Direct Demonstration of Enhanced Diffusion in Mesoporous ZSM-5 Zeolite Obtained via Controlled Desilication. J. Am. Chem. Soc. 2007, 129, 355.
6. Wang, J.; Groen, J. C.; Yue, W.; Zhou, W.; Coppens, M.-O. Single-Template Synthesis of Zeolite ZSM-5 Composites with Tunable Mesoporosity. Chem. Commun. 2007, 4653.
7. Carberry, J. J. The Micro-Macro Effectiveness Factor for the Reversible Catalytic Reaction. AIChE J. 1962, 8, 557.
8. Ors, N.; Dogu, T. Effectiveness of Bidisperse Catalysts. AIChE J. 1979, 25, 723.
9. Dogu, G.; Dogu, T. A General Criterion to Test the Importance of Diffusion Limitations in Bidisperse Porous Catalysts. AIChE J. 1980, 26, 287.
10. Kulkarni, B. D.; Jayaraman, V. K.; Doraiswamy, L. K. Effectiveness Factors in Bidisperse Catalysts-The General nth Order Case. Chem. Eng. Sci. 1981, 36, 943.
11. Loewenberg, M. Diffusion-Controlled, Heterogeneous Reaction in a Material with a Bimodal Pore Size Distribution. J. Chem. Phys. 1994, 100, 7580.
12. Dogu, T. Diffusion and Reaction in Catalyst Pellets with Bidisperse Pore Size Distribution. Ind. Eng. Chem. Res. 1998, 37, 2158.
13. Sahimi, M.; Gavalas, G. R.; Tsotsis, T. T. Statistical and Continuum Models of Fluid-Solid Reactions in Porous Media. Chem. Eng. Sci. 1990, 45, 1443.
14. Hegedus, L. L. Catalyst Pore Structure by Constrained Nonlinear Optimization. Ind. Eng. Chem. Prod. Res. Dev. 1980, 19, 533.
15. Pereira, C. J.; Kubsh, J. E.; Hegedus, L. L. Computer-Aided-Design of Catalytic Monoliths for Automobile Emission Control. Chem. Eng. Sci. 1988, 43, 2087.
16. x Emission Control. Ind. Eng. Chem. Res. 1991, 30, 969.
17. Keil, F. J.; Rieckmann, C. Optimization of Three-Dimensional Catalyst Pore Structures. Chem. Eng. Sci. 1994, 49, 4811.
18. Prachayawarakom, S.; Mann, R. Effects of Pore Assembly Architecture on Catalyst Particle Tortuosity and Reaction Effectiveness. Catal. Today 2007, 128, 88.
19. Coppens, M.-O.; Froment, G. F. The Effectiveness of Mass Fractal Catalysts. Fractals 1997, 5, 493.
20. Gheorghiu, S.; Coppens, M.-O. Optimal Bimodal Pore Networks for Heterogeneous Catalysis. AIChE J. 2004, 50, 812.
21. Wang, G.; Johannessen, E.; Kleijn, C. R.; de Leeuw, S. W.; Coppens, M.-O. Optimizing Transport in Nanostructured Catalysts: A Computational Study. Chem. Eng. Sci. 2007, 62, 5110.
22. Johannessen, E.; Wang, G.; Coppens, M.-O. Optimal Distributor Networks in Porous Catalyst Pellets. I. Molecular Diffusion. Ind. Eng. Chem. Res. 2007, 46, 4245.
23. Morbidelli, M.; Gavriilidis, A.; Varma, A. Catalyst Design: Optimal Distribution of Catalyst in Pellets, Reactors and Membranes; Cambridge University Press: Cambridge, U.K., 2001.
24. Froment, G. F.; Bischoff, K. B. Chemical Reactor Analysis and Design, 2nd ed.; Wiley: New York, 1990.
25. Aris, R. On Shape Factors for Irregular Particles. I. The Steady State Problem. Diffusion and Reaction. Chem. Eng. Sci. 1957, 6, 262.
26. Reid, R. C.; Prausnitz, J. M.; Poling, B. E. The Properties of Gases and Liquids, 4th ed.; McGraw-Hill: New York, 1987.
27. Kärger, J.; Ruthven, D. M. Diffusion in Zeolites and Other Microporous Solids; Wiley: New York, 1992.
28. Versteeg, H. K.; Malalasekera, W. An Introduction to Computational Fluid Dynamics: The Finite Volume Method; Longman Scientific and Technical: Harlow, Essex, U.K., 1995.
29. Morë, J.; Garbow, B.; Hillstrom, R. User Guide for MINPACK-1; Argonne National Laboratory: Argonne, IL, 1980, ANL-80, p 74..
30. de Zeeuw, P. M. Matrix-Dependent Prolongations and Restrictions in a Blackbox Multigrid Solver. J. Comp. Appl. Math. 1990, 33, 1.
31. http://www.whitehouse.gov/news/releases/2002/02/clearskies.html.
32. Buzanowski, M. A.; Yang, R. T. Simple Design of Monolith Reactor for Selective Catalytic Reduction of NO for Power-Plant Emission Control. Ind. Eng. Chem. Res. 1990, 29, 2074.
33. 3. J. Catal. 1990, 125, 411.
34. Prater, C. D. The Temperature Produced by Heat of Reaction in the Interior of Porous Particles. Chem. Eng. Sci. 1958, 8, 284.
35. Wakao, N.; Smith, J. M. Diffusion in Catalyst Pellets. Chem. Eng. Sci. 1962, 17, 825.