Global kinetic modeling of NH3-SCR with two sites of NH3 storage on Cu-SSZ-13

Gao, Zhiming; Pihl, Josh; Laclair, Tim; Fricke, Brian

doi:10.1016/j.cej.2020.127120

Title: Global kinetic modeling of NH₃-SCR with two sites of NH₃ storage on Cu-SSZ-13

Journal Article · Mon Sep 28 00:00:00 EDT 2020 · Chemical Engineering Journal

DOI:https://doi.org/10.1016/j.cej.2020.127120· OSTI ID:1684681

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Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

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. In conclusion, 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.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Advanced Research Projects Agency - Energy (ARPA-E)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1684681

Alternate ID(s):: OSTI ID: 1780432

Journal Information:: Chemical Engineering Journal, Vol. 406; ISSN 1385-8947

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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