Abstract
A comprehensive selective catalytic reduction (SCR) model is developed to detail the global kinetic reactions in the catalyst which is involved in two type of sites for high- and low-temperature NH3 adsorption/desorption, as well as a low temperature H2O storage. The model accounts for the formation of ammonium nitrate in fast SCR and the decomposition formation of ammonium nitrate in the absence of NO, and addresses N2O relative to NO and NO2 reactions with NH3. The model has been validated against commercial Cu-SSZ-13 measurements of NH3 inventory, NH3 oxidation, NO oxidation, standard SCR, fast SCR and NO2 SCR at both comprehensive steady-state and transient conditions. In addition, the application of the SCR model for emissions control over a transient drive cycle at cold start was demonstrated based on diesel oxidation catalyst (DOC) and SCR aftertreatment system for a passenger car. The results show that the SCR model can provide the detailed emissions estimations for steady-state and transient conditions, can assist with understanding the impact of the SCR reaction mechanism, and can assist with the design and optimization of SCR catalysts to develop innovative technologies for co-optimization of engine fuel economy and emissions control technologies.
| Original language | English |
|---|---|
| Article number | 127120 |
| Journal | Chemical Engineering Journal |
| Volume | 406 |
| DOIs | |
| State | Published - Feb 15 2021 |
Funding
This work was sponsored by the U.S. Department of Energy's ARPA-E and Vehicle Technologies office. The authors thank our Building Technologies Research and Integration Center (BTRIC) and National Transportation Research Center (NTRC) colleagues for their helpful discussion in this work. Additional thanks also go to the editors and reviewers for their support and volunteered time. Notice: This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan. Notice : This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan. This work was sponsored by the U.S. Department of Energy ’s ARPA-E and Vehicle Technologies office. The authors thank our Building Technologies Research and Integration Center (BTRIC) and National Transportation Research Center (NTRC) colleagues for their helpful discussion in this work. Additional thanks also go to the editors and reviewers for their support and volunteered time.
| Funders | Funder number |
|---|---|
| National Transportation Research Center | DE-AC05-00OR22725 |
| U.S. Department of Energy ’s ARPA-E | |
| U.S. Department of Energy's ARPA-E | |
| United States Government | |
| U.S. Department of Energy |
Keywords
- Ammonium nitrate
- Drive cycle emissions
- SCR kinetic modeling
- Transient
- Two-site NH storage