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TECHNICAL PAPERS: Internal Combustion Engines

Three-Way Catalytic Converter Modeling as a Modern Engineering Design Tool

[+] Author and Article Information
G. N. Pontikakis, G. S. Konstantas, A. M. Stamatelos

Mechanical and Industrial Engineering Department, University of Thessaly, 383 34 Volos, Greece

J. Eng. Gas Turbines Power 126(4), 906-923 (Nov 24, 2004) (18 pages) doi:10.1115/1.1787506 History: Received December 01, 2002; Revised September 01, 2003; Online November 24, 2004
Copyright © 2004 by ASME
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References

Farrauto,  R. J., and Heck,  R. M., 1999, “Catalytic Converters: State of the Art and Perspectives,” Catal. Today, 51, pp. 351–360.
Koltsakis,  G. C., and Stamatelos,  A. M., 1997, “Catalytic Automotive Exhaust Aftertreatment,” Prog. Energy Combust. Sci., 23, pp. 1–37.
Oh,  S. H., and Cavendish,  J. C., 1982, “Transients of Monolithic Catalytic Converters: Response to Step Changes in Feedstream Temperature as Related to Controlling Automobile Emissions,” Ind. Eng. Chem. Prod. Res. Dev., 21, pp. 29–37.
Oh,  S. H., and Cavendish,  J. C., 1985, “Mathematical Modeling of Catalytic Converter Light-off—Part II: Model Verification by Engine-Dynamometer Experiments,” AIChE J., 31(6), pp. 935–942.
Oh,  S. H., and Cavendish,  J. C., 1985, “Mathematical Modeling of Catalytic Converter Light-off—Part III: Prediction of Vehicle Exhaust Emissions and Parametric Analysis,” AIChE J., 31(6), pp. 943–949.
Tischer,  S., Correa,  C., and Deutshmann,  O., 2001, “Transient Three-Dimensional Simulation of a Catalytic Combustion Monolith Using Detailed Models for Heterogeneous and Homogeneous Reactions and Transport Phenomena,” Catal. Today, 69, pp. 57–62.
Pontikakis,  G., and Stamatelos,  A., 2001, “Mathematical Modeling of Catalytic Exhaust Systems for EURO-3 and EURO-4 Emissions Standards,” Proc. Inst. Mech. Eng., Part D (J. Automob. Eng.), 215, pp. 1005–1015.
Young,  L. C., and Finlayson,  B. A., 1976, “Mathematical Models of the Monolithic Catalytic Converter: Part I. Development of Model and Application of Orthogonal Collocation,” AIChE J., 22(2), pp. 331–343.
Siemund,  S., Leclerc,  J. P., Schweich,  D., Prigent,  M., and Castagna,  F., 1996, “Three-Way Monolithic Converter: Simulations Versus Experiments,” Chem. Eng. Sci., 51(15), pp. 3709–3720.
Koltsakis,  G. C., Konstantinidis,  P. A., and Stamatelos,  A. M., 1997, “Development and Application Range of Mathematical Models for Automotive 3-Way Catalytic Converters,” Appl. Catal., B, 12(2-3), pp. 161–191.
Chen, D. K. S., Bisset, E. J., Oh, S. H., and Van Ostrom, D. L., 1988, “A Three-Dimensional Model for the Analysis of Transient Thermal and Conversion Characteristics of Monolithic Catalytic Converters,” SAE paper 880282.
Montreuil, C. N., Williams, S. C., and Adamczyk, A. A., 1992, “Modeling Current Generation Catalytic Converters: Laboratory Experiments and Kinetic Parameter Optimization—Steady State Kinetics,” SAE paper 920096.
Dubien,  C., Schweich,  D., Mabilon,  G., Martin,  B., and Prigent,  M., 1998, “Three-Way Catalytic Converter Modeling: Fast and Slow Oxidizing Hydrocarbons, Inhibiting Species and Steam-Reforming Reaction,” Chem. Eng. Sci., 53(3), pp. 471–481.
Heck,  R. H., Wei,  J., and Katzer,  J. R., 1976, “Mathematical Modeling of Monolithic Catalysts,” AIChE J., 22(3), pp. 477–484.
Shamim,  T., Shen,  H., Sengupta,  S., Son,  S., and Adamczyk,  A. A., 2002, “A Comprehensive Model to Predict Three-Way Catalytic Converter Performance,” J. Eng. Gas Turbines Power, 124(2), pp. 421–428.
Konstantinidis,  P. A., Koltsakis,  G. C., and Stamatelos,  A. M., 1997, “Computer-Aided Assessment and Optimization of Catalyst Fast Light-off Techniques,” Proc. Inst. Mech. Eng., Part D (J. Automob. Eng.), 211, pp. 21–37.
Konstantinidis,  P. A., Koltsakis,  G. C., and Stamatelos,  A. M., 1998, “The Role of CAE in the Design Optimization of Automotive Exhaust Aftertreatment Systems,” Proc. Inst. Mech. Eng., Part D (J. Automob. Eng.), 212, pp. 1–18.
Baba,  N., Ohsawa,  K., and Sugiura,  S., 1996, “Analysis of Transient Thermal and Conversion Characteristics of Catalytic Converters During Warm-up,” JSAE Review of Automative Engineering, 17, pp. 273–279.
Schmidt, J., Waltner, A., Loose, G., Hirschmann, A., Wirth, A., Mueller, W., Van den Tillaart, J. A. A., Mussmann, L., Lindner, D., Gieshoff, J., Umehara, K., Makino, M., Biehn, K. P., and Kunz, A., 1999, “The Impact of High Cell Density Ceramic Substrates and Washcoat Properties on the Catalytic Activity of Three Way Catalysts,” SAE paper 1999-01-0272.
Stamatelos,  A. M., Koltsakis,  G. C., and Kandylas,  I. P., 1999, “Computergestützte Entwurf von Abgasnachbehandlungsystemen. Teil I. Ottomotor,” Motortech. Z., MTZ 60(2), pp. 116–124.
LTTE-University of Thessaly: CATRAN Catalytic Converter Modeling Software, User’s Guide, Version v4r2f. Volos, June 2003.
Pontikakis, G. N., and Stamatelos, A. M., 2002, “Catalytic Converter Modeling: Computer-Aided Parameter Estimation by use of Genetic Algorithms” Proc. Inst. Mech. Eng., Part D: J. Automob. Eng., accepted for publication.
Pontikakis, G., 2003, “Modeling, Reaction Schemes and Kinetic Parameter Estimation in Automotive Catalytic Converters and Diesel Particulate Filters,” Ph.D. thesis, Mechanical & Industrial Engineering Department, University of Thessaly, June 2003. http://www.mie.uth.gr/labs/ltte/pubs/PhD_G_Pont.pdf
Zygourakis,  K., and Aris,  R., 1983, “Multiple Oxidation Reactions and Diffusion in the Catalytic Layer of Monolith Reactors,” Chem. Eng. Sci., 38(5), pp. 733–744.
Hoebink,  J. H. B. J., van Gemert,  R. A., van den Tillaart,  J. A. A., and Marin,  G. B., 2000, “Competing Reactions in Three-Way Catalytic Converters: Modeling of the NOx Conversion Maximum in the Light-off Curves Under Net Oxidizing Conditions,” Chem. Eng. Sci., 55(9), pp. 1573–1581.
Keren,  I., and Sheintuch,  M., 2000, “Modeling and Analysis of Spatiotemporal Oscillatory Patterns During CO Oxidation in the Catalytic Converter,” Chem. Eng. Sci., 55, pp. 1461–1475.
Voltz,  S. E., Morgan,  C. R., Liederman,  D., and Jacob,  S. M., 1973, “Kinetic Study of Carbon Monoxide and Propylene Oxidation on Platinum Catalysts,” Ind. Eng. Chem. Prod. Res. Dev., 12, pp. 294–301.
Young,  L. C., and Finlayson,  B. A., 1976, “Mathematical Models of the Monolithic Catalytic Converter: Part I. Development of Model and Application of Orthogonal Collocation,” AIChE J., 22(2), pp. 337–343.
Hayes,  R. E., and Kolaczkowski,  S. T., 1994, “Mass and Heat Transfer Effects in Catalytic Monolith Reactors,” Chem. Eng. Sci., 46(21), pp. 3587–3599.
Tanaka,  M., Tsujimoto,  Y., Miyazaki,  T., Warashina,  M., and Wakamatsu,  S., 2001, “Pecularities of Volatile Hydrocarbons Emissions From Several Types of Vehicles in Japan,” Chemosphere-Global Change Science,3(2), pp. 185–197.
Pattas,  K. N., Stamatelos,  A. M., Pistikopoulos,  P. K., Koltsakis,  G. C., Konstantinidis,  P. A., Volpi,  E., and Leveroni,  E., 1994, “Transient Modeling of 3-Way Catalytic Converters,” SAE paper 940934, SAE Trans., 103, pp. 565–578.
Koberstein, E., and Wannemacher, G., 1987, “The A/F Window With Three-Way Catalysts. Kinetic and Surface Investigations,” CAPOC, International Congress on Catalysis and Automotive Pollution Control, Brussels.
Siemund,  S., Leclerc,  J. P., Schweich,  D., Prigent,  M., and Castagna,  F., 1996, “Three Way Monolithic Converter: Simulations Versus Experiments,” Chem. Eng. Sci., 51(15), pp. 3709–3720.
Heck,  R. H., Wei,  J., and Katzer,  J. R., 1976, “Mathematical Modeling of Monolithic Catalysts,” AIChE J., 22(3), pp. 477–484.
Zygourakis,  K., 1989, “Transient Operation of Monolith Catalytic Converters: A Two-Dimensional Reactor Model and the Effects of Radially Nonuniform Flow Distributions,” Chem. Eng. Sci., 44, pp. 2075–2086.
Jahn,  R., Snita,  D., Kubicek,  M., and Marek,  M., 1997, “3-D Modeling of Monolith Reactors,” Catal. Today, 38, pp. 39–46.
Dubien, C., and Schweich, D., 1997, “Three Way Catalytic Converter Modeling. Numerical Determination of Kinetic Data,” in CAPOC IV, Fourth International Congress on Catalysis and Automotive Pollution Control, Brussels.
Pontikakis,  G. N., Papadimitriou,  C., and Stamatelos,  A. M., 2004, “Kinetic Parameter Estimation by Standard Optimization Methods in Catalytic Converter Modeling,” Chem. Eng. Commun., 91, pp. 3–29.
Glielmo,  L., and Santini,  S., 2001, “A Two-Time-Scale Infinite Adsorption Model of Three-Way Catalytic Converters During the Warm-Up Phase,” ASME J. Dyn. Syst., Meas., Control, 123, pp. 62–70.
Bates, D. M., and Watts, D. G., 1988, Nonlinear Regression Analysis and its Applications, Wiley, New York.
Luenberger, D. G., 1989, Linear and Nonlinear Programming, Second Edition, Addison-Wesley, Reading, MA.
Goldberg, D. E., 1989, Genetic Algorithms in Search Optimization, and Machine Learning, Addison-Wesley, Reading, MA.
Emanuel Falkenauer, 1998, Genetic Algorithms and Grouping Problems, Wiley, New York.
Konstantas,  G., and Stamatelos,  A., 2004, “Quality Assurance of Exhaust Emissions Test Data,” Proc. Inst. Mech. Eng., Part D: J. Automob. Eng., , 218, pp. 901–914.
Votsmeier, M., Bog, T., Lindner, D., Gieshoff, J., Lox, E. S., and Kreuzer, T., 2002, “A System(atic) Approach Towards Low Precious Metal Three-Way Catalyst Application,” SAE paper 2002-01-0345.

Figures

Grahic Jump Location
Computed and measured instantaneous NOx emissions at converter inlet and exit during the second half of NEDC: 2-l-engined passenger car equipped with a 2.4-l underfloor converter with 50-g/ft3 Pt:Rh catalyst
Grahic Jump Location
Computed and measured instantaneous HC emissions at converter inlet and exit during the first 600 sec of NEDC: 2-l-engined passenger car equipped with a 2.4-l underfloor converter with 50-g/ft3 Pt:Rh catalyst
Grahic Jump Location
Computed and measured instantaneous HC emissions at converter inlet and exit during the second half of NEDC: 2-l-engined passenger car equipped with a 2.4-l underfloor converter with 50-g/ft3 Pt:Rh catalyst
Grahic Jump Location
Computed (based on the kinetics parameters values of Table 1) and measured cumulative CO, HC, and NOx emissions at converter exit during NEDC. 2-l-engined passenger car equipped with a 0.6-l underfloor converter with 50-g/ft3 Pt:Rh catalyst. Apparently, the model is capable of predicting the significant difference in CO, HC, and NOx emissions at the exit of the reduced-size converter.
Grahic Jump Location
Measured converter inlet temperatures, computed, and measured converter exit temperatures during NEDC: 2-l-engined passenger car equipped with a 2.4-l underfloor converter with 50-g/ft3 Pt:Rh catalyst
Grahic Jump Location
Computed and measured instantaneous CO emissions at converter inlet and exit during the first 600 sec of NEDC: 2-l-engined passenger car equipped with a 2.4-l underfloor converter with 50-g/ft3 Pt:Rh catalyst
Grahic Jump Location
Computed and measured instantaneous CO emissions at converter inlet and exit during the second half of the NEDC (600–1180 sec of NEDC): 2-l-engined passenger car equipped with a 2.4-l underfloor converter with 50-g/ft3 Pt:Rh catalyst
Grahic Jump Location
Computed and measured instantaneous NOx emissions at converter inlet and exit during the first 600 sec of NEDC: 2-l-engined passenger car equipped with a 2.4-l underfloor converter with 50-g/ft3 Pt:Rh catalyst
Grahic Jump Location
Measured instantaneous CO, HC, and NOx emissions at converter inlet and exit, over the 1180-sec duration of the cycle: 2-l-engined passenger car equipped with a 2.4-l underfloor converter with 50-g/ft3 Pt:Rh catalyst
Grahic Jump Location
Evolution of the values of three selected kinetics parameters in the 100 individuals of the population during 135 generations. The convergence to the final values is apparent even from the 40th generation.
Grahic Jump Location
Computed and measured cumulative CO, HC, and NOx emissions at converter exit during NEDC: 2-l-engined passenger car equipped with a 2.4-l underfloor converter with 50-g/ft3 Pt:Rh catalyst
Grahic Jump Location
Computed (based on the kinetics parameters values of Table 1) and measured instantaneous HC emissions at converter exit during NEDC: 2-l-engined passenger car equipped with a 0.6-l underfloor converter with 50-g/ft3 Pt:Rh catalyst. Apparently, the model is capable of predicting with good accuracy the characteristic HC breakthrough with the reduced-size converter during the high-speed part of NEDC.
Grahic Jump Location
Computed (based on the kinetics parameters values of Table 1) and measured instantaneous CO emissions at converter exit during NEDC: 2-l-engined passenger car equipped with a 0.6-l underfloor converter with 50-g/ft3 Pt:Rh catalyst
Grahic Jump Location
Computed and measured cumulative CO, HC, and NOx emissions at converter exit during FTP-75: 2.2-l-engined passenger car equipped with a 0.8-l close-coupled converter with 150-g/ft3 Pd:Rh catalyst
Grahic Jump Location
Computed and measured converter exit temperatures during the first 600 sec of FTP-75 test cycle: 2.2-l-engined passenger car equipped with a 0.8-l close-coupled converter with 150-g/ft3 Pd:Rh catalyst. Converter inlet temperature recording is also shown.
Grahic Jump Location
Computed and measured instantaneous HC emissions at converter exit during the first 600 sec of FTP-75 test cycle: 2.2-l-engined passenger car equipped with a 0.8-l close-coupled converter with 150-g/ft3 Pd:Rh catalyst

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