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Title: A SCR Model Calibration Approach with Spatially Resolved Measurements and NH3 Storage Distributions

Abstract

The selective catalytic reduction (SCR) is a technology used for reducing NO x emissions in the heavy-duty diesel (HDD) engine exhaust. In this study, the spatially resolved capillary inlet infrared spectroscopy (Spaci-IR) technique was used to study the gas concentration and NH3 storage distributions in a SCR catalyst, and to provide data for developing a SCR model to analyze the axial gaseous concentration and axial distributions of NH3 storage. A two-site SCR model is described for simulating the reaction mechanisms. The model equations and a calculation method was developed using the Spaci-IR measurements to determine the NH3 storage capacity and the relationships between certain kinetic parameters of the model. Moreover, a calibration approach was then applied for tuning the kinetic parameters using the spatial gaseous measurements and calculated NH3 storage as a function of axial position instead of inlet and outlet gaseous concentrations of NO, NO2, and NH3. The equations and the approach for determining the NH3 storage capacity of the catalyst and a method of dividing the NH3 storage capacity between the two storage sites are presented. It was determined that the kinetic parameters of the adsorption and desorption reactions have to follow certain relationships for the model tomore » simulate the experimental data. Finally, the modeling results served as a basis for developing full model calibrations to SCR lab reactor and engine data and state estimator development as described in the references (Song et al. 2013a, b; Surenahalli et al. 2013).« less

Authors:
 [1];  [1];  [1];  [1];  [2]
  1. Michigan Technological Univ., Houghton, MI (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Fuels, Engines and Emissions Research Center (FEERC); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). National Transportation Research Center (NTRC)
Sponsoring Org.:
Office of Energy Efficiency and Renewable Energy (EERE)
OSTI Identifier:
1213981
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Emission Control Science & Technology
Additional Journal Information:
Journal Volume: 1; Journal Issue: 1; Journal ID: ISSN 2199-3629
Publisher:
Springer
Country of Publication:
United States
Language:
English
Subject:
54 ENVIRONMENTAL SCIENCES; aftertreatment; selective catalytic reduction (SCR); spaci-IR; NOx reduction; SCR model

Citation Formats

Song, Xiaobo, Parker, Gordon G., Johnson, John H., Naber, Jeffrey D., and Pihl, Josh A. A SCR Model Calibration Approach with Spatially Resolved Measurements and NH3 Storage Distributions. United States: N. p., 2014. Web. doi:10.1007/s40825-014-0003-6.
Song, Xiaobo, Parker, Gordon G., Johnson, John H., Naber, Jeffrey D., & Pihl, Josh A. A SCR Model Calibration Approach with Spatially Resolved Measurements and NH3 Storage Distributions. United States. https://doi.org/10.1007/s40825-014-0003-6
Song, Xiaobo, Parker, Gordon G., Johnson, John H., Naber, Jeffrey D., and Pihl, Josh A. Thu . "A SCR Model Calibration Approach with Spatially Resolved Measurements and NH3 Storage Distributions". United States. https://doi.org/10.1007/s40825-014-0003-6. https://www.osti.gov/servlets/purl/1213981.
@article{osti_1213981,
title = {A SCR Model Calibration Approach with Spatially Resolved Measurements and NH3 Storage Distributions},
author = {Song, Xiaobo and Parker, Gordon G. and Johnson, John H. and Naber, Jeffrey D. and Pihl, Josh A.},
abstractNote = {The selective catalytic reduction (SCR) is a technology used for reducing NO x emissions in the heavy-duty diesel (HDD) engine exhaust. In this study, the spatially resolved capillary inlet infrared spectroscopy (Spaci-IR) technique was used to study the gas concentration and NH3 storage distributions in a SCR catalyst, and to provide data for developing a SCR model to analyze the axial gaseous concentration and axial distributions of NH3 storage. A two-site SCR model is described for simulating the reaction mechanisms. The model equations and a calculation method was developed using the Spaci-IR measurements to determine the NH3 storage capacity and the relationships between certain kinetic parameters of the model. Moreover, a calibration approach was then applied for tuning the kinetic parameters using the spatial gaseous measurements and calculated NH3 storage as a function of axial position instead of inlet and outlet gaseous concentrations of NO, NO2, and NH3. The equations and the approach for determining the NH3 storage capacity of the catalyst and a method of dividing the NH3 storage capacity between the two storage sites are presented. It was determined that the kinetic parameters of the adsorption and desorption reactions have to follow certain relationships for the model to simulate the experimental data. Finally, the modeling results served as a basis for developing full model calibrations to SCR lab reactor and engine data and state estimator development as described in the references (Song et al. 2013a, b; Surenahalli et al. 2013).},
doi = {10.1007/s40825-014-0003-6},
journal = {Emission Control Science & Technology},
number = 1,
volume = 1,
place = {United States},
year = {Thu Nov 27 00:00:00 EST 2014},
month = {Thu Nov 27 00:00:00 EST 2014}
}

Works referenced in this record:

Kinetic modeling of NH3-SCR over a supported Cu zeolite catalyst using axial species distribution measurements
journal, February 2015


SCR Deactivation Kinetics for Model-Based Control and Accelerated Aging Applications
conference, April 2012

  • Bartley, Gordon J.; Chadwell, Christopher J.; Kostek, Theodore M.
  • SAE 2012 World Congress & Exhibition, SAE Technical Paper Series
  • DOI: 10.4271/2012-01-1077

Development of Emission Transfer Functions for Predicting the Deterioration of a Cu-Zeolite SCR Catalyst
conference, April 2009

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  • SAE World Congress & Exhibition, SAE Technical Paper Series
  • DOI: 10.4271/2009-01-1282

Virtual Exhaust Line for Model-based Diesel Aftertreatment Development
conference, April 2010

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  • DOI: 10.4271/2010-01-0888

Modelling the ammonia adsorption–desorption process over an Fe–zeolite catalyst for SCR automotive applications
journal, July 2012


1D Model of a Copper Exchanged Small Pore Zeolite Catalyst Based on Transient SCR Protocol
conference, April 2013

  • Devarakonda, Maruthi; Lee, Jong; Muntean, George
  • SAE 2013 World Congress & Exhibition, SAE Technical Paper Series
  • DOI: 10.4271/2013-01-1578

Cu-Zeolite SCR Catalyst Thermal Deactivation Studied with FTIR Spatial Resolution
journal, April 2011

  • Hou, Xuxian; Epling, William S.; Schmieg, Steven J.
  • SAE International Journal of Engines, Vol. 4, Issue 1
  • DOI: 10.4271/2011-01-1138

Diesel Emission Control in Review
conference, April 2007

  • Johnson, Timothy V.
  • SAE World Congress & Exhibition, SAE Technical Paper Series
  • DOI: 10.4271/2007-01-0233

Overview of the practically important behaviors of zeolite-based urea-SCR catalysts, using compact experimental protocol
journal, June 2010


Why Cu- and Fe-Zeolite SCR Catalysts Behave Differently At Low Temperatures
journal, April 2010

  • Kamasamudram, Krishna; Currier, Neal; Szailer, Tamas
  • SAE International Journal of Fuels and Lubricants, Vol. 3, Issue 1
  • DOI: 10.4271/2010-01-1182

Spatially resolving SCR reactions over a Fe/zeolite catalyst
journal, February 2011

  • Luo, Jin-Yong; Hou, Xuxian; Wijayakoon, Prasanna
  • Applied Catalysis B: Environmental, Vol. 102, Issue 1-2
  • DOI: 10.1016/j.apcatb.2010.11.031

Effect of C3H6 on selective catalytic reduction of NOx by NH3 over a Cu/zeolite catalyst: A mechanistic study
journal, July 2012


Fe-Zeolite SCR Model Development, Validation and Application
conference, April 2011

  • Markatou, Penelope; Dai, Jianguo; Johansson, Asa
  • SAE 2011 World Congress & Exhibition, SAE Technical Paper Series
  • DOI: 10.4271/2011-01-1304

The NH 3 Inhibition Effect in the Standard SCR Reaction over a Commercial Fe-zeolite Catalyst for Diesel Exhaust Aftertreatment: An Experimental and Modeling Study
journal, April 2011

  • Nova, Isabella; Colombo, Massimo; Tronconi, Enrico
  • SAE International Journal of Engines, Vol. 4, Issue 1
  • DOI: 10.4271/2011-01-1319

Selective catalytic reduction of nitric oxide with ethanol/gasoline blends over a silver/alumina catalyst
journal, August 2014


Transient simulation of NO x reduction over a Fe-Zeolite catalyst in an NH 3 -SCR system and study of the performance under different operating conditions
journal, August 2011

  • Sharifian, Leila; Wright, Yuri Martin; Boulouchos, Konstantinos
  • SAE International Journal of Fuels and Lubricants, Vol. 5, Issue 1
  • DOI: 10.4271/2011-01-2084

An Experimental and Modeling Study of Reaction Kinetics for a Cu-Zeolite SCR Catalyst Based on Engine Experiments
conference, April 2013

  • Song, Xiaobo; Naber, Jeffrey; Johnson, John H.
  • SAE 2013 World Congress & Exhibition, SAE Technical Paper Series
  • DOI: 10.4271/2013-01-1054

A Modeling Study of SCR Reaction Kinetics from Reactor Experiments
conference, April 2013

  • Song, Xiaobo; Parker, Gordon; Johnson, John H.
  • SAE 2013 World Congress & Exhibition, SAE Technical Paper Series
  • DOI: 10.4271/2013-01-1576

Extended Kalman Filter Estimator for NH 3 Storage, NO, NO 2 and NH 3 Estimation in a SCR
conference, April 2013

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  • SAE 2013 World Congress & Exhibition, SAE Technical Paper Series
  • DOI: 10.4271/2013-01-1581

Development and Validation of a Cu-Zeolite SCR Catalyst Model
conference, April 2011

  • Watling, Timothy C.; Tutuianu, Monica; Desai, Maya R.
  • SAE 2011 World Congress & Exhibition, SAE Technical Paper Series
  • DOI: 10.4271/2011-01-1299

Works referencing / citing this record:

Diesel Engine SCR Control: Current Development and Future Challenges
journal, May 2015

  • Yuan, Xinmei; Liu, Hongqi; Gao, Ying
  • Emission Control Science and Technology, Vol. 1, Issue 2
  • DOI: 10.1007/s40825-015-0013-z