One-dimensional automotive catalyst modeling

Progress in Energy and Combustion Science

Volumn 31, Issue 4, 2005, Pages 308-369

  Depcik, Christopher ^a   Assanis, Dennis ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

Author keywords

Aftertreatment; Automobile; Catalyst; Device; Emissions; Kinetics; Reactions; Simulation

Indexed keywords

AUTOMOBILES; COMPUTER SIMULATION; FLOW OF FLUIDS; INCOMPRESSIBLE FLOW; MATHEMATICAL MODELS;

AFTERTREATMENT; DEVICE; EMISSIONS;

CATALYSTS;

EID: 27144508355     PISSN: 03601285     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.pecs.2005.08.001     Document Type: Review

References (108)

1. DieselNet. Emission standards: USA - cars and light-duty trucks. June 23, 2004. http://www.dieselnet.com/standards/us/light.html.
2. J.B. Heywood Internal combustion engine fundamentals 1988 McGraw-Hill, Inc. New York
3. Fisher GB, Zammit MG, LaBarge WJ. Investigation of catalytic alternatives to rhodium in emission control. SAE paper 920846.
4. R.K. Herz, and J.A Sell Dynamic behavior of automotive catalysts - III. Transient enhancement of water-gas shift over rhodium J Catal 94 1985 166 174
5. J.C. Schlatter, and P.J. Mitchell Three-way catalyst response to transients Ind Eng Chem Prod Res Dev 19 1980 288
6. 3 catalysts J Catal 106 1987 458 463
7. 3 catalysts Appl Catal A Gen 85 1992 89 100
8. Nunan JG, Williamson WB, Robota HJ, Henk MG. Impact of Pt-Rh and Pd-Rh interactions on performance of biMetal catalyst. SAE paper 950258.
9. P. Eastwood Critical topics in exhaust gas aftertreatment 2000 Research Studies Press LTD Baldock, Hetfordshire, England
10. Brisley RJ, Collins NR, French C, Morris D,Twigg MV. Development of advanced platinum-rhodium catalyst for future emission requirements. SAE paper 1999-01-3627.
11. Omoto H, Kobayashi T, Ishikawa K, Yamada T. Catalyst design for meeting stringent LEV-2 NOx regulation. SAE paper 2002-01-0348.
12. Truex T, Golden SJ, Polli AD, Hawthorne R, Hatfield R, Cotton MG, et al. Advanced low platinum group metal three-way catalyst for LEV-II and ULEV-II compliance. SAE paper 2002-01-0344.
13. Twigg MV, Collins NR, Morris D, Cooper JA, Marvell DR, Will NS, et al. High temperature durable three-way catalysts to meet European stage IV emission requirements. SAE paper 2002-01-0351.
14. G.C. Koltsakis, and A.M. Stamatelos Catalytic automotive exhaust aftertreatment Prog Energy Combust Sci 23 1997 1 39
15. J. Vardi, and W.F. Biller Thermal behavior of an exhaust gas catalytic converter Ind Eng Chem-Process Des Dev 7 1 1968 83 90
16. Kuo JC, Morgan CR, Lassen HG. Mathematical modeling of CO and HC catalytic converter systems. SAE paper 710289.
17. Harned JL. Analytical evaluation of a catalytic converter system. SAE paper 720520.
18. S.H. Oh, and J.C. Cavendish Transients of monolithic catalytic converters: response to step changes in feedstream temperature as related to controlling automobile emissions Ind Eng Chem Res 21 1982 29 37
19. Pattas KN, Stamatelos AM, Pistikopoulos PK, Koltsakis GC, Konstandinidis PA, Volpi E, et al. Transient modeling of 3-way catalytic converters. SAE paper 940934.
20. Salasc S, Barrieu E, Leroy V. Impact of manifold design on flow distribution of a closed-coupled catalytic converter. SAE paper 2005-01-1626.
21. Windmann J, Braun J, Zacke P, Tischer S, Deutschmann O, Warnatz J. Impact of inlet flow distribution on the light-off behavior of a 3-way catalytic converter. SAE paper 2003-01-0937.
22. Martin AP, Will NS, Bordet A, Cornet P, Gondoin C, Mouton X. Effect of flow distribution on emissions performance of catalytic converters. SAE paper 980936.
23. Campbell B, Finch A, Tancell P, Hitchings A, Marsh M, Lloyd-Thomas D, et al. Effect of catalyst inlet cone flow maldistribution on emissions performance of a close-coupled catalytic converter. SAE paper 2004-01-1489.
24. Meda L, Zhang X, Keck M. Thermomechanical evaluation of close coupled converter system. SAE paper 2005-01-1623.
25. Otto NC, LeGray WJ. Mathematical models for catalytic converter performance. SAE paper 800841.
26. J.W. Vanderveen, D. Luss, and N.R. Amundson Stability of adiabatic packed bed reactors - effect of flow variations and coupling between particles AIChE J 14 4 1968 636 643
27. H.A. Deans, and L. Lapidus Computational model for predicting and correlating behavior of fixed-bed reactors AIChE J 6 4 1960 656 668
28. M.L. McGuire, and L. Lapidus On stability of detailed packed-bed reactor AIChE J 11 1 1965 85 95
29. S.L. Liu, and N.R. Amundson Stability of adiabatic packed bed reactors Ind Eng Chem-Fundam 1 3 1962 200 208
30. L.C. Young, and B.A. Finlayson Mathematical modeling of the monolith converter Adv Chem Ser 133 1974 629 643
31. J.G. Knudsen, and D.L. Katz Fluid dynamics and heat transfer 1958 McGraw-Hill New York
32. D.P. Fleming, and E.M. Sparrow Flow in the hydrodynamic entrance region of ducts of arbitrary cross section Trans ASME Ser C J Heat Transfer 91 1969 345 354
33. R. Manohar Analysis of laminar-flow heat transfer in the entrance region of circular tubes Int J Heat Mass Transfer 12 1 1969 15 22
34. F.P. Incropera, and D.P. DeWitt Fundamentals of heat and mass transfer 3rd ed 1990 Wiley New York
35. D.K. Hennecke Heat transfer by Hagen-Poiseuille flow in the thermal development region with axial conduction Wärme-und Stoffürbertragung 1 1968 177 184
36. R.L. Solomon, and J.L. Hudson Diffusion and reaction in ideal multicomponent systems: I. Tubular reactor near equilibrium AIChE J 17 2 1971 371 378
37. R.B. Bird, W.E. Stewart, and E.N. Lightfoot Transport phenomena 1960 Wiley New York
38. Morgan CR, Carlson DW, Voltz SE. Thermal response and emission breakthrough of platinum monolithic catalytic converters. SAE paper 730569.
39. Harned JL, Montgomery DL. Comparison of catalyst substrates for catalytic converter systems. SAE paper 730561.
40. L.C. Young, and B.A. Finlayson Mathematical models of the monolithic catalytic converter: part I. Development of model and application to orthogonal collocation AIChE J 22 2 1976 331 342
41. L.C. Young, and B.A. Finlayson Mathematical models of the monolithic catalytic converter: part II. Application to automobile exhaust AIChE J 22 2 1976 343 353
42. J. Votruba, J. Sinkule, V. Hlavácek, and J. Skrivánek Heat and mass transfer in monolithic honeycomb catalysts - I Chem Eng Sci 30 1975 117 123
43. C. Hirsch Numerical computation of internal and external flows 1988 Wiley Chichester
44. R.H. Heck, J. Wei, and J.R. Katzer Mathematical modeling of monolithic catalysts AIChE J 22 3 1976 477 484
45. V. Grigull, and H. Tratz Thermischer einlauf in ausgebildeter laminarer rohrströmung Int J Heat Mass Transfer 8 5 1965 669 678
46. S.T. Lee, and R. Aris On the effects of radiative heat transfer in monolith Chem Eng Sci 32 1977 827 837
47. S.H. Oh, J.C. Cavendish, and L.L. Hegedus Mathematical modeling of catalytic converter lightoff: single-pellet studies AIChE J 26 6 1980 935 943
48. S.H. Oh, and J.C. Cavendish Mathematical modeling of catalytic converter lightoff. Part III: prediction of vehicle exhaust emissions and parametric analysis AIChE J 31 6 1985 943 949
49. S.H. Oh, and J.C. Cavendish Mathematical modeling of catalytic converter lightoff. Part II: model verification by engine-dynamometer experiments AIChE J 31 6 1985 935 942
50. M. Flytzani-Stephanopoulos, G.E. Voecks, and T. Charng Modelling of heat transfer in non-adiabatic monolith reactors and experimental comparisons of metal monoliths with packed beds Chem Eng Sci 41 5 1986 1203 1212
51. Chen DKS, Oh SH, Bissett EJ, van Ostrom DL. A three-dimensional model for the analysis of transient thermal and conversion characteristics of monolithic catalytic converters. SAE paper 880282.
52. Montreuil CN, Williams SC, Adamczyk AA. Modeling current generation catalytic converters: laboratory experiments and kinetic parameter optimization - steady state kinetics. SAE Paper 920096.
53. S.F. Benjamin, and C.A. Roberts Automotive catalyst warm-up to light-off by pulsating engine exhaust Int J Eng Res 5 2 2004 125 147
54. G.C. Koltsakis, and A.M. Stamatelos Modeling dynamic phenomena in 3-way catalytic converters Chem Eng Sci 54 1999 4567 4578
55. D.N. Tsinoglou, G.C. Koltsakis, and J.C. Peyton Jones Oxygen storage modeling in three-way catalytic converters Ind Eng Chem Res 41 2002 1152 1165
56. x storage reduction catalyst. SAE paper 2005-01-1112.
57. Depcik C. Modeling reacting gases and aftertreatment devices for internal combustion engines. PhD in mechanical engineering. Ann Arbor, Michiganr: The University of Michigan; 2003.
58. Liu Z, Benjamin SF, Roberts CA, Zhao H, Arias-Garcia A. A coupled 1D/3D simulation for the flow behaviour inside a close-coupled catalytic converter. SAE paper 2003-01-1875.
59. Onorati A, Ferrari G, D'Errico G, Montenegro G. The prediction of 1D unsteady flows in the exhaust system of a S.I. engine including chemical reactions in the gas and solid phase. SAE paper 2002-01-0003.
60. Ricardo plc. Three-way catalyst model; June 3, 2005. http://www.software. ricardo.com/products/wave/white_papers/3way_cat.
61. Gamma technologies, inc., GT-POWER: the industry standard for engine simulation; June 3, 2005. http://www.gtisoft.com/img/broch/broch_gtpower.pdf.
62. S. Siemund, J.P. LeClerc, D. Schweich, M. Prigent, and F. Castagna Three-way monolithic converter: simulations versus experiments Chem Eng Sci 51 15 1996 3709 3720
63. Chan SH, Hoang DL. Modeling of catalytic conversion of CO/HC in gasoline exhaust at engine cold-start. SAE paper 1999-01-0452.
64. Shamim T, Shen H, Sengupta S. Comparison of chemical kinetic mechanisms in simulating the emission characteristics of catalytic converters. SAE paper 2000-01-1953.
65. Bücher S, Santos Lardies S, Degen A, Donnerstag A, Held W. A modular numerical simulation tool predicting catalytic converter light-off by improved modeling of thermal management and conversion characteristics. SAE paper 2001-01-0940.
66. Onorati A, Ferrari G, D'Errico G. 1D unsteady flows with chemical reactions in the exhaust duct-system of S.I. engines: predictions and experiments. SAE paper 2001-01-0939.
67. P.K. Kundu Fluid mechanics 1990 Academic Press, Inc San Diego
68. R.W. Fox, and A.T. McDonald Introduction to fluid mechanics 4th ed 1992 Wiley New York
69. E.J. Bissett Mathematical model of the thermal regeneration of a wall-flow monolith diesel particulate filter Chem Eng Sci 39 1984 1232 1244
70. J.C. Tannehill, D.A. Anderson, and R.H. Pletcher Computational fluid mechanics and heat transfer 2nd ed 1997 Taylor & Francis Washington
71. Haralampous OA, Koltsakis GC, Samaras ZC, Vogt C-D, Ohara E, Watanabe Y, et al. Reaction and diffusion phenomena in catalyzed diesel particulate filters. SAE paper 2004-01-0696.
72. Haralampous OA, Koltsakis GC, Samaras ZC. Partial regenerations in diesel particulate filters. SAE paper 2003-01-1881.
73. 2: engine experiments and simulations Ind Eng Chem Res 41 2002 5372 5384
74. Konstandopoulos AG, Johnson J. Wall-flow diesel particulate filters - their pressure drop and collection efficiency. SAE paper 890405.
75. C. Depcik, B. van Leer, and D. Assanis The numerical simulation of variable-property reacting-gas dynamics: new insights and validation Numer Heat Transfer, Part A 47 2005 27 56
76. York APE, Cox JP, Watling TC, Walker AP, Bergeal D, Allansson R, et al. Development and validation of a one-dimensional computational model of the continuously regenerating diesel particulate filter (CR-DPF) system. SAE paper 2005-01-0954.
77. L. Olsson, and B. Andersson Kinetic modelling in automotive catalysis Top Catal 28 2004 89 98
78. M.E. Coltrin, R.J. Kee, and F.M. Rupley SURFACE CHEMKIN: a fortran package for analyzing heterogeneous chemical kinetics at a solid-surface-gas- phase interface Sandia national laboratories SAND90-8003B 1990
79. C. Appel, J. Mantzaras, R. Schaeren, R. Bombach, and A. Inauen Catalytic combustion of hydrogen-air mixtures over platinum: validation of hetero/homogeneous chemical reaction schemes Clean Air Int J Energy Clean Env 5 2004 21 44
80. x trap. SAE paper 2003-01-1160.
81. x traps during rich purges. SAE paper 2003-01-1159.
82. G.N. Pontikakis, G.S. Konstantas, and A.M. Stamatelos Three-way catalytic converter modeling as a modern engineering design tool Trans ASME 126 2004 906 923
83. P.A. Konstandinidis, G.C. Koltsakis, and A.M. Stamatelos The role of computer aided engineering in the design optimization of exhaust after-treatment systems Proc Inst Mech Eng 212 D 1998 169 186
84. Meinig U, Spies K-H, DeBruyne R. Tests on a new diesel particulate system with traps of metal fleece. SAE paper 982597.
85. Nixdorf RD, Green JB Jr, Story JM, Wagner RM. Microwave-regenerated diesel exhaust particulate filter. SAE paper 2001-01-0903.
86. G.C. Koltsakis, I.P. Kandylas, and A.M. Stamatelos Three-way catalytic converter modeling and applications Chem Eng Commun 164 1998 153 189
87. S.W. Churchill, and H.H.S. Chu Correlating equations for laminar and turbulent free convection from a horizontal cylinder Int J Heat Mass Transfer 18 1975 1049 1053
88. Tsinoglou DN, Koltsakis GC. Influence of pulsating flow on close-coupled catalyst performance. ASME J in press.
89. G.G. O'Brien, M.A. Hyman, and S. Kaplan A study of the numerical solution of partial differential equations J Math Phys 29 1950 223 251
90. P.J. Roache Computational fluid dynamics 1972 Hermosa Albuerque, New Mexico
91. Hindmarsh, AC. Serial fortran solvers for ODE initial value problems. http://www.llnl.gov/CASC/odepack/. August 8, 2003.
92. S.E. Voltz, C.R. Morgan, D. Liederman, and S.M. Jacob Kinetic study of carbon monoxide and propylene oxidation on platinum catalysts Ind Eng Chem Prod Res Dev 12 1973 294
93. Lee W-T. Local preconditioning of the euler equations, PhD in aerospace engineering. Ann Arbor, Michigan: The University of Michigan; 1992.
94. Winkler C, Flörchinger P, Patil MD, Gieshoff J, Spurk PC, Pfeifer M. Modeling of SCR DeNOx catalyst - looking at the impact of substrate attributes. SAE paper 2003-01-0845.
95. Hepburn J, Kenney T, McKenzie J, Thanasiu E, Dearth M. Engine and aftertreatment modeling for gasoline direct injection. SAE paper 982596.
96. S. Gordon, and B.J. McBride Computer program for calculation of complex chemical equilibrium compositions and applications 1996 NASA Reference Publication p. 1311
97. S. Gordon, and B. McBride Computer program for calculation of complex chemical equilibrium compositions and applications: I. Analysis 1994 NASA Reference Publication p. 1311
98. R.J. Kee, F.M. Rupley, E. Meeks, and J.A. Miller Chemkin-III: a fortran chemical kinetics package for the analysis of gas-phase chemical and plasma kinetics Sandia national laboratories SAND96-8216 1996
99. 3 J Phys Chem B 105 2001 6895 6906
100. C. Hirsch Numerical computation of internal and external flows 1990 Wiley New York
101. A.J. Chorin A numerical method for solving incompressible viscous flow problems J Comput Phys 2 1 1967 12 26
102. Depcik C, A perfect local preconditioner for the navier-stokes equations, MS in aerospace engineering. Ann Arbor, Michigan: The University of Michigan; 2002.
103. Depcik C, van Leer B. In search of an optimal local navier-stokes preconditioner. AIAA paper 2003-3703.
104. Hairer E. Ernst hairer homepage; May 10, 2005. http://www.unige.ch/ ∼hairer/welcome.html.
105. E. Hairer, and G. Wanner Solving ordinary differential equations. II. Stiff and differential-algebraic problems. Berlin 1996
106. McMurtry PA, Jou W-H, Riley JJ, Metcalfe RW. Direct numerical simulations of a reacting mixing layer with chemical heat release. AIAA paper 85-0143.
107. S. Chakravorty, and J. Mathew A high-resolution scheme for low Mach number flows Int J Numer Methods Fluids 46 2004 245 261
108. J.-H. Schmitt Some examples of stainless steel use in automotive industry Key Eng Mater 230-232 2002 17 22