Applied Catalysis in the Automotive Industry: Development of a Commercial Diesel Oxidation Catalyst Simulation Model Balanced for the Requirements of an Original Engine Manufacturer. Part 2, CO and HC Chemistry
- 15 Downloads
Abstract
Our previously developed model of NOx chemistry over a commercially used diesel oxidation catalyst has been extended by adding CO and HC chemistry. Synthetic gas bench experiments were conducted in order to elucidate mechanisms and provide the experimental foundation necessary for model calibration. Reactions tested and folded into the model include pure gas-phase CO oxidation, water-gas shift, and surface oxidation reactions for CO and HC. The majority of the experiments were performed at a space velocity corresponding to medium load in terms of driving conditions. The complete model was validated against engine test data. For that, it was necessary to assess the aging of the catalyst (in modeling terms translated to precious metal dispersion) used in the engine tests. After assuming a reasonable dispersion using engineering judgment, model validation against engine test data was performed. This showed the ability of the model to predict both trends and time resolved details.
Keywords
Applied catalysis DOC Modeling CO oxidation HC oxidation Correlation NOx-CO-HC Space velocityAbbreviations
- EATS
Engine aftertreatment system
- DOC
diesel oxidation catalyst
- HC
hydro carbon (non combusted fuel)
- SCR
selective catalytic reduction
- SGB
synthetic gas bench
- TPD
temperature programmed desorption
Notes
Compliance with Ethical Standards
The authors declare that they have no competing interests.
References
- 1.Blomgren, F., Shwan, S., Carlhammar, L., Milh, M.: Applied catalysis in the automotive industry exemplified through balancing model accuracy and usability when creating a simulation model of a commercial diesel oxidation catalyst. Part 1, NOx-chemistry. submitted to Emission Control Science and TechnologyGoogle Scholar
- 2.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. 12(4), 294–301 (1973)CrossRefGoogle Scholar
- 3.Keren, I., Sheintuch, M.: Modeling and analysis of spatiotemporal oscillatory patterns during CO oxidation in the catalytic converter. Chem Eng. Sci. 55(8), 1461–1475 (2000)CrossRefGoogle Scholar
- 4.Salomons, S., Hayes, R.E., Votsmeier, M., Drochner, A., Vogel, H., Malmberg, S., Gieshoff, J.: On the use of mechanistic CO oxidation models with a platinum monolith catalyst. Appl. Catal. B: Environ. 70(1–4), 305–313 (2007)CrossRefGoogle Scholar
- 5.Carlsson, P.A., Österlund, L., Thormahlen, P., Palmqvist, A.E.C., Fridell, E., Jansson, J., Skoglundh, M.: A transient in situ FTIR and XANES study of CO oxidation over Pt/AlO catalysts. J. Catal. 226(2), 422–434 (2004)CrossRefGoogle Scholar
- 6.Langmuir, I.: Part II.—“Heterogeneous reactions”. Chemical reactions on surfaces. Trans. Far. Soc. 17(0), 607–654 (1922)CrossRefGoogle Scholar
- 7.Schwartz, A., Holbrook, L.L., Wise, H.: Catalytic oxidation studies with platinum and palladium. J. Catal. 21(2), 199–207 (1971)CrossRefGoogle Scholar
- 8.Ordóñez, S., Bello, L., Sastre, H., Rosal, R., Dı́ez, F.V.: Kinetics of the deep oxidation of benzene, toluene, n-hexane and their binary mixtures over a platinum on γ-alumina catalyst. Appl. Catal. B Environ. 38(2), 139–149 (2002)CrossRefGoogle Scholar
- 9.Ma, L., Bart, H., Ning, P., Zhang, A., Wu, G., Zengzang, Z.: Kinetic study of three-way catalyst of automotive exhaust gas: modeling and application. Chem. Eng. J. 155(1–2), 241–247 (2009)CrossRefGoogle Scholar
- 10.Patterson, M.J., Angove, D.E., Cant, N.W.: The effect of carbon monoxide on the oxidation of four C6 to C8 hydrocarbons over platinum, palladium and rhodium. Appl. Catal. B Environ. 26(1), 47–57 (2000)CrossRefGoogle Scholar
- 11.Watling, T.C., Ahmadinejad, M., Ţuţuianu, M., Johansson, Å., Paterson, M.A.J.: SAE Int. J.. Eng. 5, 1420–1442 (2012)CrossRefGoogle Scholar
- 12.Khosravi, M., Sola, C., Abedi, A., Hayes, R.E., Epling, W.S., Votsmeier, M.: Oxidation and selective catalytic reduction of NO by propene over Pt and Pt:Pd diesel oxidation catalysts. Appl. Catal. B Environ. 147, 264–274 (2014)CrossRefGoogle Scholar
- 13.Karakaya, C., Deutschmann, O.: A simple method for CO chemisorption studies under continuous flow: adsorption and desorption behavior of Pt/Al2O3 catalysts. Appl. Catal. A Gen. 445-446, 221–230 (2012)CrossRefGoogle Scholar
- 14.Ertl, G., Norton, G.P.R., Rüstig, J.: Phys. Rev. Lett. 49(2), 177–180 (1982)CrossRefGoogle Scholar
- 15.Ladas, S., Imbihl, R., Ertl, G.: Kinetic oscillations during the catalytic CO oxidation on Pd(110): the role of subsurface oxygen. Surf. Sci. 219(1–2), 88–106 (1989)CrossRefGoogle Scholar
- 16.Yuranov, I., Kiwi-Minsker, L., Slin’ko, M., Kurkina, E., Tolstunova, E.D., Ranken, A.: Chem. Eng. Sci. 55(15), 2827–2833 (2000)CrossRefGoogle Scholar
- 17.Gorodetskii, V.V., Matveev, A.V., Kalinkin, A.V., Nieuwenhyys, B.E.: Chem. Sust. Dev. 11, 67–74 (2003)Google Scholar
- 18.Hendriksen, B.L.M., Bobaru, S.C., Franken, J.W.M.: Oscillatory CO oxidation on Pd(100) studied with in situ scanning tunneling microscopy. Surf. Sci. 552(1-3), 229–242 (2004)CrossRefGoogle Scholar
- 19.Imbihl, R.: Fundamental aspects of heterogeneous catalysis studied by Particle Beams. 265(26), 125–131 (1992)Google Scholar
- 20.Bzovska, I.S., Mryglod, I.M.: Cond. Mat. Phys. 13, 1–5 (2010)Google Scholar
- 21.Ramanathan, K., Sharma, C.S.: Kinetic parameters estimation for three way catalyst modeling. Ind. Eng. Chem. Res. 50(17), 9960–9979 (2011)CrossRefGoogle Scholar
- 22.Fernandes, V.R., Bossche, M.V., Knudsen, J., Farstad, M.H., Gustafson, J., Venvik, H.J., Grönbeck, H., Borg, A.: Reversed hysteresis during CO oxidation over Pd75Ag25(100). ACS Catal. 6(7), 4154–4161 (2016)CrossRefGoogle Scholar
- 23.Chambers, D.C., Angove, D.E., Cant, N.W.: J. Catal. 204, 11–22 (2001)CrossRefGoogle Scholar