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Journal Article

Modeling Species Inhibition and Competitive Adsorption in Urea-SCR Catalysts

Although the urea-SCR technology exhibits high NO reduction efficiency over a wide range of temperatures among the lean NO reduction technologies, further improvement in low-temperature performance is required to meet the future emission standards and to lower the system cost. In order to improve the catalyst technologies and optimize the system performance, it is critical to understand the reaction mechanisms and catalyst behaviors with respect to operating conditions. Urea-SCR catalysts exhibit poor NO reduction performance at low-temperature operating conditions (T ≺ 150°C). We postulate that the poor performance is either due to NH₃ storage inhibition by species like hydrocarbons or due to competitive adsorption between NH₃ and other adsorbates such as H₂O and hydrocarbons in the exhaust stream. In this paper we attempt to develop one-dimensional models to characterize inhibition and competitive adsorption in Fe-zeolite-based urea-SCR catalysts based on bench reactor experiments.
Technical Paper

Hydrocarbon Effect on a Fe-zeolite Urea-SCR Catalyst: An Experimental and Modeling Study

Synergies between various catalytic converters such as SCR and DPF are vital to the success of an integrated aftertreatment system for simultaneous NO and particulate matter control in diesel engines. Several issues such as hydrocarbon poisoning, thermal aging and other coupled aftertreatment dynamics need to be addressed to develop an effective emission control system. This work is significant especially in an integrated DPF-SCR aftertreatment scenario where the SCR catalyst on the filter substrate is exposed to un-burnt diesel hydrocarbons during active regeneration of the particulate filter. This paper reports an experimental and modeling study to understand the effect of hydrocarbons on a Fe-zeolite urea-SCR catalyst. Several bench-reactor tests to understand the inhibition of NO oxidation, to characterize hydrocarbon storage and to investigate the impact of hydrocarbons on SCR reactions were conducted.
Technical Paper

Chemical Hydrides for Hydrogen Storage in Fuel Cell Applications

Due to its high hydrogen storage capacity (up to 16% by weight for the release of 2.5 molar equivalents of hydrogen gas) and its stability under typical ambient conditions, ammonia borane (AB) is a promising material for chemical hydrogen storage for fuel cell applications in transportation sector. Several systems models for chemical hydride materials such as solid AB, solvated AB and alane were developed and evaluated at Pacific Northwest National Laboratory (PNNL) to determine an optimal configuration that would meet the 2010 and future DOE targets for hydrogen storage. This paper presents an overview of those systems models and discusses the simulation results for various transient drive cycle scenarios.