Simulation of a nonisothermal modern three-way catalyst converter

Industrial and Engineering Chemistry Research

Volumn 49, Issue 15, 2010, Pages 7039-7051

  Kwon, Hyuk Jae ^a   Baik, Joon Hyun ^a,c   Kang, Sung Bong ^a   Nam, In Sik ^a   Yoon, Byung Jun ^a   Oh, Se H ^b  

^a Pohang University of Science and Technology (POSTECH)   (South Korea)

^b GENERAL MOTORS CORPORATION   (United States)

^c Research Institute of Industrial Science and Technology (RIST)   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

A/F RATIO; DUAL-BED REACTOR; GAS COMPOSITIONS; MONOLITH REACTORS; NONISOTHERMAL; RADIAL POSITION; REACTION TEMPERATURE; REACTOR MODELS; SALT BATH; STEADY-STATE CONDITION; SWEEP TESTS; THREE WAY CATALYSTS; THREE WAY CATALYTIC CONVERTER;

ASSOCIATION REACTIONS; BUILDING MATERIALS; CATALYSTS; CATALYTIC CONVERTERS; PALLADIUM; RARE EARTH COMPOUNDS; REACTION KINETICS;

MONOLITHIC INTEGRATED CIRCUITS;

EID: 77955041916     PISSN: 08885885     EISSN: 15205045     Source Type: Journal    
DOI: 10.1021/ie1007486     Document Type: Article

References (49)

1. Heck, R. M.; Gulati, S.; Farrauto, R. J. The application of monoliths for gas phase catalytic reactions Chem. Eng. J. 2001, 82, 149-156
2. Santos, H.; Costa, M. Modelling transport phenomena and chemical reactions in automotive three-way catalytic converters Chem. Eng. J. 2009, 148, 173-183
3. Chen, J.; Yang, H.; Wang, N.; Ring, Z.; Dabros, T. Mathematical modeling of monolith catalysts and reactors for gas phase reactions Appl. Catal., A 2008, 345, 1-11
4. Hoebink, J. H. B. J.; Harmsen, J. M. A.; Scholz, C. M. L.; Marin, G. B.; Schouten, J. C. Modeling of Automotive Exhaust Gas Converters. In Structured Catalysts and Reactors, 2 nd ed.; Cybulski, A.; Moulijin, J. A., Eds.; Taylor & Francis: Florida, 2006; Chapter 9, pp 311 - 354.
5. Ahmadinejad, M.; Desai, M. R.; Watling, T. C.; York, A. P. E. Simulation of Automotive Emission Control Systems. In Automotive Emission Control, Adv. Chem. Eng.; Marin, G. B., Ed.; Elsevier/Academic Press: Amsterdam, 2007; Vol. 33, pp 47 - 101.
6. Kolsakis, G. C.; Konstantinidis, P. A.; Stamatelos, A. M. Development and application range of mathematical models for 3-way catalytic converters Appl. Catal., B 1997, 12, 161-191
7. Depcik, C.; Assanis, D. One-dimensional automotive catalyst modeling Prog. Eng. Comb. Sci. 2005, 31, 308-369
8. Kuo, J. C. W.; Morgan, C. R.; Lassen, H. G. Mathematical modeling of CO and HC catalytic converter systems. SAE paper no. 710289.
9. Votruba, J.; Sinkule, J.; Hlavacek, V.; Skrivanek, J. Heat and mass transfer in monolithic honeycomb catalysts-I Chem. Eng. Sci. 1975, 30, 117-123
10. Heck, R. H.; Wei, J.; Katzer, J. R. Mathematical modeling of monolithic catalysts AIChE J. 1976, 22, 477-474
11. Oh, S. H.; Cavendish, J. C. Transients of monolithic catalytic converters: Response to step changes in feedstream temperatures as related to controlling automobile emissions Ind. Eng. Chem. Prod. Res. Dev. 1982, 21, 29-37
12. Pattas, K. N.; Stamatelos, A. M.; Pistikopoulos, P. K.; Koltsakis, G. C.; Konstantinidis, P. A. Transient modeling of 3way catalytic converters. SAE paper no. 940934.
13. Siemund, S.; Leclerc, J. P.; Schweich, D.; Progent, M.; Castagna, F. Three-way monolithic converter: Simulations versus experiments Chem. Eng. Sci. 1996, 51, 3709-3720
14. Holder, R.; Bollig, M.; Anderson, D. R.; Hochmuth, J. K. A discussion on transport phenomena and three-way kinetics of monolithic converters Chem. Eng. Sci. 2006, 61, 8010-8027
15. Young, L. C.; Finlayson, B. A. Mathematical models of the monolithic catalytic converter. Part 1. Development of model and application of orthogonal collocation AIChE J. 1976, 22, 331-343
16. Lee, S. T.; Aris, R. On the effect of radiative heat transfer in monoliths Chem. Eng. Sci. 1977, 32, 827-837
17. Otto, N. O.; LeGray, W. J. Mathematical models for catalytic converter performance. SAE paper no. 800841.
18. Hayes, R. E.; Kolaczkowski, S. T.; Thomas, W. J. Finite-element model for a catalytic monolith reactor Comput. Chem. Eng. 1992, 16, 645-657
19. Flytzani-Stephanopoulos, M.; Voecks, G. E.; Charng, T. Modelling of heat transfer in non-adiabatic monolith reactors and experimental comparisons of metal monoliths with packed beds Chem. Eng. Sci. 1986, 41, 1203-1212
20. Zygourakis, K. Transient operation of monolith catalytic converters: A two-dimensional reactor model and the effects of radially nonuniform flow distributions Chem. Eng. Sci. 1989, 44, 2075-2086
21. Chen, D. K. S.; Bissett, E. J.; Oh, S. H.; van Ostrom, D. L. A three-dimensional model for the analysis of transient thermal and conversion characteristics of monolith catalytic converters. SAE paper no. 880282.
22. Chakravarthy, V. K.; Conklin, J. C.; Daw, C. S.; D'Azevedo, E. F. Multi-dimensional simulations of cold-start transients in a catalytic converter under steady inflow conditions Appl. Catal., A 2003, 241, 289-306
23. Voltz, S. E.; Morgan, C. R.; Liederman, D.; Jacob, S. M. Kinetic study of carbon monoxide and propylene oxidation on platinum catalysts Ind. Eng. Chem. Prod. Res. Dev. 1973, 12, 294-301
24. 2O system Ind. Eng. Chem. Prod. Res. Dev. 1985, 24, 512-516
25. Kwon, H. J.; Baik, J. H.; Kwon, Y. T.; Nam, I.-S.; Oh, S. H. Detailed reaction kinetics over commercial three-way catalysts Chem. Eng. Sci. 2007, 62, 5042-5047
26. Koltsakis, G. C.; Stamatelos, A. M. Catalytic automotive exhaust aftertreatment Prog. Energy Combust. Sci. 1997, 23, 1-39
27. 6 oxidation Appl. Catal., B 2009, 92, 114-125
28. González-Velasco, J. R.; Botas, J. A.; González-Marcos, J. A.; Gutiérez-Ortiz, M. A. Influence of water and hydrogen processed in feedstream on the three-way behaviour of platium-alumina catalysts Appl. Catal., B 1997, 12, 61-79
29. James, A.; Brindley, J.; McIntosh, A. C. Multi-channel monolith reactors as dynamical systems Combust. Flame 2003, 134, 193-205
30. Koci, P.; Kubicek, M.; Marek, M. Modeling of three-way catalyst monolith converters with microkinetics and diffusion in the washcoat Ind. Eng. Chem. Res. 2004, 43, 4503-4510
31. Hayes, R. E.; Kolaczkowski, S. T. Mass and heat transfer effects in catalytic monolith reactors Chem. Eng. Sci. 1994, 49, 3587-3599
32. Boger, T.; Menegola, M. Monolith catalysts with high thermal conductivity for improved operation and economics in the production of phthalic anhydride Ind. Eng. Chem. Res. 2005, 44, 30-40
33. Tronconi, E.; Groppi, G.; Boger, T.; Heibel, A. Monolithic catalysts with high conductivity honeycomb supports for gas/solid exothermal reactions: characterization of the heat-transfer properties Chem. Eng. Sci. 2004, 59, 4941-4949
34. Kolaczkowski, S. T.; Worth, D. J. Modelling channel interactions in a non-adiabatic multichannel catalytic combustion reactor Catal. Today 1995, 26, 275-282
35. Hawthorn, R. D. Afterburner catalysts effects of heat and mass transfer between gas and catalyst surface: Recent advances in air pollution control AIChE Symp. Ser. 1974, 70, 428-438
36. Reid, R. C.; Prausnitz, J. M.; Sherwood, T. K. The Properties of Gases and Liquids, 3 rd ed.; McGraw-Hill: New York, 1977.
37. Manuel, I.; Thomas, C.; Colas, H.; Matthess, N.; Djega-Mariadassou, D. A new approach in the kinetic modelling of three-way catalytic reactions Top. Catal. 2004, 30/31, 311-317
38. Baba, N.; Yokota, K.; Matsunaga, S.; Kojima, S.; Ohsawa, K.; Ito, T.; Domyo, H. Numerical Simulation of Deactivation Process of Three-way Catalytic Converters. SAE paper no. 2000-01-0214.
39. Heck, R. M.; Farrauto, R. J.; Gulati, S. T. Catalytic Air Pollution Control: Commercial Technology, 2 nd ed.; John Wiley & Sons, Inc.: New York, 2002.
40. Perry, R. H.; Green, D. W. Perry's Chemical Engineers' Handbook, 7 th ed.; McGraw-Hill: Singapore, 1998.
41. Chemical Engineering Module Model Library, COMSOL AB, Version 3.2, 2005.
42. Kwon, H. J.; Baik, J. H.; Kwon, Y. T.; Nam, I.-S.; Oh, S. H. Enhancement effect of water on oxidation reactions over commercial three-way catalyst Chem. Eng. J. 2008, 141, 194-203
43. Taylor, K. C. Nitric oxide catalysis in automotive exhaust systems Catal. Rev.-Sci. Eng. 1993, 35, 457-481
44. Tischer, S.; Jiang, Y.; Hughes, K. W.; Patil, M. D.; Murtagh, M. Three-Way-Catalyst Modeling-A Comparison of 1D and 2D Simulations. SAE paper no. 2007-01-1071.
45. Chae, H. J.; Choo, S. T.; Choi, H.; Nam, I.-S.; Yang, H. S.; Song, S. L. Direct use of kinetic parameters for modeling and simulation of a selective catalytic reduction process Ind. Eng. Chem. Res. 2000, 39, 1159-1170
46. Unpublished result, POSTECH; Final report for GM R&D, Sep. 14, 2006.
47. Jahn, R.; Šnita, D.; Kubíček, M.; Marek, M. 3-D modeling of monolith reactors Catal. Today 1997, 38, 39-46
48. Jeong, S.-J.; Kim, W.-S.; Kim, T. An application of CFD to improve warm-up performance of the 3-way auto-catalyst by high surface area and low thermal mass Int. J. Vehicle Des. 2002, 29, 243-268
49. Hu, Z.; Wan, C. Z.; Lui, Y. K.; Dettling, J.; Steger, J. J. Design of a novel Pd three-way catalyst: Integration of catalytic functions in three dimensions Catal. Today 1996, 30, 83-89