This content is not included in your SAE MOBILUS subscription, or you are not logged in.
Lean Breakthrough Phenomena Analysis for TWC OBD on a Natural Gas Engine using a Dual-Site Dynamic Oxygen Storage Capacity Model
ISSN: 0148-7191, e-ISSN: 2688-3627
Published March 28, 2017 by SAE International in United States
This content contains downloadable datasetsAnnotation ability available
Oxygen storage capacity (OSC) is one of the most critical characteristics of a three-way catalyst (TWC) and is closely related to the catalyst aging and performance. In this study, a dynamic OSC model involving two oxygen storage sites with distinct kinetics was developed. The dual-site OSC model was validated on a bench reactor and a natural gas engine. The model was capable of predicting temperature dependence on OSC with H2, CO and CH4 as reductants. Also, the effects of oxygen concentration and space velocity on the amount of OSC were captured by the model.
The validated OSC model was applied to simulate lean breakthrough phenomena with varied space velocities and oxygen concentrations. It is found that OSC during lean breakthrough is not a constant for a particular TWC catalyst and is dependent on space velocity and oxygen concentration. Specifically, breakthrough time exhibits a non-linear, inverse correlation to oxygen flux. Breakthrough OSC increases slightly with oxygen concentration and increases significantly as space velocity decreases. Moreover, at high space velocities, the majority of breakthrough OSC is from the PGM-ceria surface site (kinetically controlled). At low space velocities, there is a substantial amount of breakthrough OSC from the sub-surface ceria site (diffusion controlled). Correlations of breakthrough time and breakthrough OSC as a function of oxygen concentration and space velocity were established. An alternative methodology of TWC OBD with the use of developed correlations was presented and discussed.
CitationGong, J., Wang, D., Brahma, A., Li, J. et al., "Lean Breakthrough Phenomena Analysis for TWC OBD on a Natural Gas Engine using a Dual-Site Dynamic Oxygen Storage Capacity Model," SAE Technical Paper 2017-01-0962, 2017, https://doi.org/10.4271/2017-01-0962.
Data Sets - Support Documents
|[Unnamed Dataset 1]|
|[Unnamed Dataset 2]|
- Gandhi, H.S., Graham, G.W., and McCabe, R.W., “Automotive exhaust catalysis,” J. Catal. 216(1-2):433-442, 2003, doi:10.1016/S0021-9517(02)00067-2.
- Johnson, T., "Review of Vehicular Emissions Trends," SAE Int. J. Engines 8(3):1152-1167, 2015, doi:10.4271/2015-01-0993.
- Gong, J. and Rutland, C., "A Quasi-Dimensional NOx Emission Model for Spark Ignition Direct Injection (SIDI) Gasoline Engines," SAE Technical Paper 2013-01-1311, 2013, doi:10.4271/2013-01-1311.
- Fisher, G., Theis, J., Casarella, M., and Mahan, S., "The Role of Ceria in Automotive Exhaust Catalysis and OBD-II Catalyst Monitoring," SAE Technical Paper 931034, 1993, doi:10.4271/931034.
- Hepburn, J. and Gandhi, H., "The Relationship Between Catalyst Hydrocarbon Conversion Efficiency and Oxygen Storage Capacity," SAE Technical Paper 920831, 1992, doi:10.4271/920831.
- Cao, L., Ni, C., Yuan, Z. and Wang, S., “Correlation between catalytic selectivity and oxygen storage capacity in autothermal reforming of methane over Rh/Ce 0.45 Zr 0.45 RE 0.1 catalysts (RE= La, Pr, Nd, Sm, Eu, Gd, Tb),” Catalysis Communications, 10(8), pp.1192-1195, 2009,doi: 10.1016/j.catcom.2009.01.015.
- Wang, D., An, H., Li, J., Gong, J. et al., “Diagnostics of Field-Aged Three-Way Catalyst (TWC) on Stoichiometric Natural Gas Engines,” SAE Technical Paper 2017-01-1015, 2017, doi:10.4271/2017-01-1015.
- Hori, C.E., Permana, H., Ng, K.Y.S., Brenner, A., et al., “Thermal stability of oxygen storage properties in a mixed CeO2-ZrO2 system,” Appl. Catal. B Environ. 16:105-117, 1998, doi:10.1016/S0926-3373(97)00060-X.
- Lambrou, P.S., Costa, C.N., Christou, S.Y., and Efstathiou, a. M., “Dynamics of oxygen storage and release on commercial aged Pd-Rh three-way catalysts and their characterization by transient experiments,” Appl. Catal. B Environ. 54(4):237-250, 2004, doi:10.1016/j.apcatb.2004.06.018.
- Sabatini, S., Kil, I., Hamilton, T., Wuttke, J. et al., "Characterization of Aging Effect on Three-Way Catalyst Oxygen Storage Dynamics," SAE Technical Paper 2016-01-0971, 2016, doi:10.4271/2016-01-0971.
- Ingram, G. and Surnilla, G., "On-line Oxygen Storage Capacity Estimation of a Catalyst," SAE Technical Paper 2003-01-1000, 2003, doi:10.4271/2003-01-1000.
- Peyton Jones, J. and Muske, K., "Model-based OBD for Three-Way Catalyst Systems," SAE Technical Paper 2004-01-0639, 2004, doi:10.4271/2004-01-0639.
- Yamada, T., Ashizawa, H., and Nagata, M., "Multiple Regression Analysis of OSC Characteristics under Transient TWC Conditions," SAE Int. J. Mater. Manf. 1(1):353-361, 2009, doi:10.4271/2008-01-0713.
- Koci, P., Kubicek, M., and Marek, M., “Modeling of Three-Way-Catalyst Monolith Converters with Microkinetics and Diffusion in the Washcoat,” Ind. Eng. Chem. Res. 43:4503-4510, 2004, doi:10.1021/ie034137k.
- Gong, J. and Rutland, C., "Three Way Catalyst Modeling with Ammonia and Nitrous Oxide Kinetics for a Lean Burn Spark Ignition Direct Injection (SIDI) Gasoline Engine," SAE Technical Paper 2013-01-1572, 2013, doi:10.4271/2013-01-1572.
- Tsinoglou, D.N., Koltsakis, G.C., and Peyton Jones, J.C., “Oxygen Storage Modeling in Three-Way Catalytic Converters,” Ind. Eng. Chem. Res. 41(5):1152-1165, 2002, doi:10.1021/ie010576c.
- Yao, H.C. and Yao, Y.F.Y., “Ceria in Automotive Exhaust Catalysts,” 265:254-265, 1984, doi:10.1016/0021-9517(84)90371-3.
- Trovarelli, A., “Catalytic Properties of Ceria and CeO2 -Containing Materials,” Catal. Rev. 38(4):439-520, 1996, doi:10.1080/01614949608006464.
- Bedrane, S., Descorme, C., and Duprez, D., “Towards the comprehension of oxygen storage processes on model three-way catalysts,” Catal. Today 73:233-238, 2002, doi:10.1016/S0920-5861(02)00005-6.
- Boaro, M., Vicario, M., Leitenburg, C. de, Dolcetti, G., et al., “The use of temperature-programmed and dynamic/transient methods in catalysis: characterization of ceria-based, model three-way catalysts,” Catal. Today 77(4):407-417, 2003, doi:10.1016/S0920-5861(02)00383-8.
- Padeste, C., Cant, N.W. and Trimm, D.L., “The influence of water on the reduction and reoxidation of ceria,” Catalysis letters, 18(3), pp.305-316, 1993, DOI: 10.1007/BF00769451.
- Sadi, F., Duprez, D., Gerard, F., and Miloudi, A., “Hydrogen formation in the reaction of steam with Rh/CeO2 catalysts: a tool for characterising reduced centres of ceria,” J. Catal. 213(2):226-234, 2003, doi:10.1016/S0021-9517(02)00080-5.
- Abanades, S., Legal, A., Cordier, A., Peraudeau, G., et al., “Investigation of reactive cerium-based oxides for H2 production by thermochemical two-step water-splitting,” J. Mater. Sci. 45(15):4163-4173, 2010, doi:10.1007/s10853-010-4506-4.
- Otsuka, K., Hatano, M. and Morikawa, A., “Hydrogen from water by reduced cerium oxide,” J. Catal. 79(2):493-496, 1983, doi:10.1016/0021-9517(83)90346-9.
- Sharma, S., Hilaire, S., Vohs, J.M., Gorte, R.J., et al., “Evidence for Oxidation of Ceria by CO2,” J. Catal. 190(1):199-204, 2000, doi:10.1006/jcat.1999.2746.
- Abanades, S. and Flamant, G., “Thermochemical hydrogen production from a two-step solar-driven water-splitting cycle based on cerium oxides,” Solar Energy, 80(12), pp.1611-1623, 2006,doi: 10.1016/j.solener.2005.12.005.
- Schimming, S.M., Foo, G.S., LaMont, O.D., Rogers, A.K., et al., “Kinetics of hydrogen activation on ceria-zirconia,” J. Catal. 329:335-347, 2015, doi:10.1016/j.jcat.2015.05.027.
- Zhao, M., Shen, M., and Wang, J., “Effect of surface area and bulk structure on oxygen storage capacity of Ce0.67Zr0.33O2,” J. Catal. 248(2):258-267, 2007, doi:10.1016/j.jcat.2007.03.005.
- Hepburn, J., Thanasiu, E., Dobson, D., and Watkins, W., "Experimental and Modeling Investigations of NOx Trap Performance," SAE Technical Paper 962051, 1996, doi:10.4271/962051.
- Olsson, L., Blint, R.J. and Fridell, E., “Global kinetic model for lean NO x traps,” Industrial & engineering chemistry research, 44(9), pp.3021-3032, 2005, DOI: 10.1021/ie0494059.
- Colon, G., Valdivieso, F., Pijolat, M., Baker, et al., “Textural and phase stability of Ce x Zr 1- x O 2 mixed oxides under high temperature oxidising conditions,” Catalysis Today, 50(2), pp.271-284,1999, doi: 10.1016/S0920-5861(98)00509-4.
- Gong, J., Wang, D., Li, J., Currier, N., and Yezerets, A., “Dynamic oxygen storage modeling in a three-way catalyst for natural gas engines: A dual-site and shrinking-core diffusion approach,” Appl. Catal. B Environ. 203:936-945, 2017, doi: 10.1016/j.apcatb.2016.11.005.
- Yezerets, A., Currier, N.W., Kim, D.H., Eadler, H.A., et al., “Differential kinetic analysis of diesel particulate matter (soot) oxidation by oxygen using a step-response technique,” Applied Catalysis B: Environmental, 61(1), pp.120-129, 2005,doi: 10.1016/j.apcatb.2005.04.014.
- Li, J., Currier, N., Yezerets, A., Chen, H. et al., "Evaluation of Spatially Resolved Performance of NOx Adsorber Catalysts," SAE Technical Paper 2009-01-0275, 2009, doi:10.4271/2009-01-0275.
- Gong, J., Narayanaswamy, K., and Rutland, C.J., “Heterogeneous Ammonia Storage Model for NH 3-SCR Modeling,” Ind. Eng. Chem. Res. 55(20):5874-5884, 2016, doi:10.1021/acs.iecr.6b01097.
- Brinkmeier, C., Eigenberger, G., Büchner, S., and Donnerstag, A., "Transient Emissions of a SULEV Catalytic Converter System Dynamic Simulation vs. Dynamometer Measurements," SAE Technical Paper 2003-01-1001, 2003, doi:10.4271/2003-01-1001.