Modeling and simulation of a smart catalytic converter combining NOx storage, ammonia production and SCR

Chemical Engineering Journal

Volumn 155, Issue 1-2, 2009, Pages 419-426

  Zukerman, R ^a   Vradman, L ^a   Herskowitz, M ^a   Liverts, E ^a   Liverts, M ^a   Massner, A ^b   Weibel, M ^b   Brilhac, J F ^c   Blakeman, P G ^d   Peace, L J ^d  

^a BEN GURION UNIVERSITY OF THE NEGEV   (Israel)

^b DAIMLER AG   (Germany)

^c UNIVERSITÉ DE HAUTE ALSACE   (France)

^d European Technology Centre   (United Kingdom)

Author keywords

Ammonia production; Catalytic converter; NOx storage; Selective catalytic reduction; Simulation

Indexed keywords

AFTER-TREATMENT; AMMONIA PRODUCTION; DUAL-MODE OPERATION; DYNAMIC BEHAVIORS; DYNAMIC OPERATIONS; DYNAMIC SIMULATION; DYNAMIC SIMULATORS; EXPERIMENTAL DATA; FORMATION FUNCTIONS; KINETIC MODELS; LEAN BURN; LEAN-RICH CYCLE; MODELING AND SIMULATION; NOX STORAGE;

AMMONIA; CATALYTIC CONVERTERS; KINETIC THEORY; SIMULATORS;

SELECTIVE CATALYTIC REDUCTION;

EID: 74449088245     PISSN: 13858947     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cej.2009.08.015     Document Type: Article

References (54)

1. Koenig A., Held W., and Richter T. Lean-burn catalysts from the perspective of a car manufacturer. Early work at Volkswagen Research. Top. Catal. 28 (2004) 99-103
2. Bosch H., and Janssen F. Catalytic reduction of nitrogen oxides. A review on the fundamentals and technology. Catal. Today 2 (1988) 369-521
3. Eastwood P. Critical Topics in Exhaust Gas Aftertreatment. 1st ed. (2000), Research Studies Press Ltd., Baldock, England
4. Truex T.J., Searles R.A., and Sun D.C. Catalysts for nitrogen oxides control under lean burn conditions. Platinum Met. Rev. 36 (1992) 2-11
5. Kaspar J., Fornasiero P., and Hickey N. Automotive catalytic converters: current status and some perspectives. Catal. Today 77 (2003) 419-449
6. Armor J.N. Catalytic removal of nitrogen oxides: where are the opportunities?. Catal. Today 26 (1995) 99-105
7. Takahashi N., Shinjoh H., Iijima T., Suzuki T., Yamazaki K., Yokota K., Suzuki H., Miyoshi N., Matsumoto S.-i., et al. The new concept 3-way catalyst for automotive lean-burn engine: NOx storage and reduction catalyst. Catal. Today 27 (1996) 63-69
8. Gomez-Garcia M.A., Pitchon V., and Kiennemann A. Pollution by nitrogen oxides. An approach to NOx abatement by using sorbing catalytic materials. Environ. Int. 31 (2005) 445-467
9. Ham S.-W., and Nam I.-S. Selective catalytic reduction of nitrogen oxides by ammonia. Catalysis 16 (2002) 236-271
10. Forzatti P. Present status and perspectives in de-NOx SCR catalysis. Appl. Catal., A 222 (2001) 221-236
11. Greening P. European vehicle emission legislation-present and future. Top. Catal. 16/17 (2001) 5-13
12. Guethenke A., Chatterjee D., Weibel M., Krutzsch B., Koci P., Marek M., Nova I., and Tronconi E. Current status of modeling lean exhaust gas aftertreatment catalysts. Adv. Chem. Eng. 33 (2008) 103-211
13. Katare S.R., Patterson J.E., and Laing P.M. Diesel aftertreatment modeling: a systems approach to NOx control. Ind. Eng. Chem. Res. 46 (2007) 2445-2454
14. Ogunwumi S., Fox R., Patil M.D., and He L. In-situ NH3 generation for SCR NOx applications. Soc. Automot. Eng. SP-1723 (2002) 113-118
15. 2O, a very fast desorption and a reduction over a TWC. Catal. Commun. 3 (2002) 179-183
16. Wurzenberger J.C., and Wanker R. Multi-scale SCR modeling, 1D kinetic analysis and 3D system simulation. Soc. Automot. Eng. SP-1940 (2005) 51-69
17. J. Guenther, B. Konrad, B. Krutzsch, A. Nolte, D. Voigtlaender, M. Weibel, M. Weirich, G. Wenninger, Exhaust gas Purification process and apparatus with internal generation of ammonia for reducing nitrogen oxide, US 6,338,244 B1 (January 15, 2002).
18. P. Forzatti, L. Lietti, The reduction of NOx stored on LNT and combined LNT-SCR systems, Catal. Today, in press.
19. Koltsakis G.C., and Stamatelos A.M. Catalytic automotive exhaust aftertreatment. Prog. Energy Combust. Sci. 23 (1997) 1-39
20. Depcik C., and Assanis D. One-dimensional automotive catalyst modeling. Prog. Energy Combust. Sci. 31 (2005) 308-369
21. Hoebink J.H.B.J., Harmsen J.M.A., Balenovic M., Backx A.C.P.M., and Schouten J.C. Automotive exhaust gas conversion: from elementary step kinetics to prediction of emission dynamics. Top. Catal. 16/17 (2001) 319-327
22. Mukadi L.S., and Hayes R.E. Modelling the three-way catalytic converter with mechanistic kinetics using the Newton-Krylov method on a parallel computer. Comput. Chem. Eng. 26 (2002) 439-455
23. Koci P., Kubicek M., and Marek M. Periodic forcing of three-way catalyst with diffusion in the washcoat. Catal. Today 98 (2004) 345-355
24. Chatterjee D., Deutschmann O., and Warnatz J. Detailed surface reaction mechanism in a three-way catalyst. Faraday Discuss. 119 (2001) 371-384
25. Voltz S.E., Morgan C.R., Liederman D., and Jacob S.M. Kinetic study of carbon monoxide and propylene oxidation on platinum catalysis. Ind. Eng. Chem. Prod. Res. Dev. 12 (1973) 294-301
26. Oh S.H., and Cavendish J.C. 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 (1982) 29-37
27. Tsinoglou D.N., and Weilenmann M. A simplified three-way catalyst model for transient hot-mode driving cycles. Ind. Eng. Chem. Res. 48 (2009) 1772-1785
28. Dubien C., Schweich D., Mabilon G., Martin B., and Prigent M. Three-way catalytic converter modeling: fast- and slow-oxidizing hydrocarbons, inhibiting species, and steam-reforming reaction. Chem. Eng. Sci 53 (1997) 471-481
29. Heck R.H., Wei J., and Katzer J.R. Mathematical modeling of monolithic catalysts. AIChE J. 22 (1976) 477-484
30. Siemund S., Leclerc J.P., Schweich D., Prigent M., and Castagna F. Three-way monolithic converter: simulations versus experiments. Chem. Eng. Sci. 51 (1996) 3709-3720
31. Lee S.-T., and Aris R. On the effects of radiative heat transfer in monoliths. Chem. Eng. Sci. 32 (1977) 827-837
32. Kirchner T., and Eigenberger G. On the dynamic behavior of automotive catalysts. Catal. Today 38 (1997) 3-12
33. Jirat J., Stepanek F., Kubicek M., and Marek M. Nonstationary operation of a system of catalytic monolithic reactors for selective NOx reduction. Chem. Eng. Sci. 54 (1999) 2609-2618
34. Shamim T., Shen H., Sengupta S., Son S., and Adamczyk A.A. A comprehensive model to predict three-way catalytic converter performance. J. Eng. Gas Turb. Power 124 (2002) 421-428
35. Tischer S., and Deutschmann O. Recent advances in numerical modeling of catalytic monolith reactors. Catal. Today 105 (2005) 407-413
36. Holder R., Bollig M., Anderson D.R., and Hochmuth J.K. A discussion on transport phenomena and three-way kinetics of monolithic converters. Chem. Eng. Sci. 61 (2006) 8010-8027
37. Hayes R.E., Kolaczkowski S.T., and Thomas W.J. Finite-element model for a catalytic monolith reactor. Comput. Chem. Eng. 16 (1992) 645-657
38. Groppi G., Belloli A., Tronconi E., and Forzatti P. A comparison of lumped and distributed models of monolith catalytic combustors. Chem. Eng. Sci. 50 (1995) 2705-2715
39. Jahn R., Snita D., Kubicek M., and Marek M. 3-D modeling of monolith reactors. Catal. Today 38 (1997) 39-46
40. Wanker R., Raupenstrauch H., and Staudinger G. A fully distributed model for the simulation of a catalytic combustor. Chem. Eng. Sci. 55 (2000) 4709-4718
41. Guethenke A., Chatterjee D., Weibel M., Waldbuber N., Koci P., Marek M., and Kubicek M. Development and application of a model for a NOx storage and reduction catalyst. Chem. Eng. Sci. 62 (2007) 5357-5363
42. F.X. Moser, Advanced heavy duty engine aftertreatment technology (AHEDAT). http://cordis.europa.eu/data/PROJ_FP5/ACTIONeqDndSESSIONeq112242005919nd DOCeq111ndTBLeqEN_PROJ.htm (10/06/2009).
43. Ullah U., Waldram S.P., Bennett C.J., and Truex T. Monolithic reactors: mass transfer measurements under reacting conditions. Chem. Eng. Sci. 47 (1992) 2413-2418
44. Votruba J., Sinkule J., Hlavacek V., and Skrivanek J. Heat and mass transfer in monolithic honeycomb catalysts. Chem. Eng. Sci. 30 (1975) 117-123
45. Brilhac J.F., Sultana A., Gilot P., Martens J.A., and Adsorption. Pressure swing desorption of NOx in Na-Y Zeolite: experiments and modeling. Environ. Sci. Technol. 36 (2002) 1136-1140
46. 2. Appl. Catal., B 76 (2007) 386-394
47. Obuchi A., Naito S., Onishi T., and Tamaru K. Mechanism of catalytic reduction of nitrogen monoxide by molecular hydrogen or carbon monoxide on a palladium foil; role of chemisorbed nitrogen on palladium. Surf. Sci. 122 (1982) 235-255
48. 2 Species with hydrogen and NO on the Pt(1 0 0)-(1*1) surface. J. Phys. Chem. B 104 (2000) 4661-4666
49. Hirano H., Yamada T., Tanaka K.I., Siera J., Cobden P., and Nieuwenhuys B.E. Mechanisms of the various nitric oxide reduction reactions on a platinum-rhodium (1 0 0) alloy single crystal surface. Surf. Sci. 262 (1992) 97-112
50. Gland J.L., and Korchak V.N. Ammonia oxidation on a stepped platinum single-crystal surface. J. Catal. 53 (1978) 9-23
51. Ciardelli C., Nova I., Tronconi E., Konrad B., Chatterjee D., Ecke K., and Weibel M. SCR-DeNOx for diesel engine exhaust aftertreatment: unsteady-state kinetic study and monolith reactor modelling. Chem. Eng. Sci. 59 (2004) 5301
52. Ramis G., Busca G., Bregani F., and Forzatti P. Fourier transform-infrared study of the adsorption and coadsorption of nitric oxide, nitrogen dioxide and ammonia on vanadia-titania and mechanism of selective catalytic reduction. Appl. Catal. 64 (1990) 259-278
53. Ramis G., Busca G., Cristiani C., Lietti L., Forzatti P., and Bregani F. Characterization of tungsta-titania catalysts. Langmuir 8 (1992) 1744-1749
54. 2 fractions. Ind. Eng. Chem. Res. 41 (2002) 4008-4015