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Microkinetic modeling for hydrocarbon (HC)-based selective catalytic reduction (SCR) of NOx on a silver-based catalyst

Paper ID Volume ID Publish Year Pages File Format Full-Text
47855 46483 2009 10 PDF Available
Title
Microkinetic modeling for hydrocarbon (HC)-based selective catalytic reduction (SCR) of NOx on a silver-based catalyst
Abstract

Modeling of aftertreatment systems for NOx abatement from fuel combustion is a critical step in catalyst design. Selective catalytic reduction (SCR) is a key component in the overall aftertreatment system. In this paper, we focus on developing a detailed elementary reaction mechanism for hydrocarbon (HC)-based SCR on a silver-impregnated monolith catalyst. Rather than developing a single rate expression based on power-law fitting or Langmuir–Hinshelwood kinetics, a detailed microkinetic modeling approach is utilized to capture the essential physics of this problem. Even though the system is complicated, with more than 10 reductants along with some promoting or inhibiting effects of other species, a hierarchical approach for mechanism development is used to retain the simplicity of the mechanism in terms of computational implementation. The HC-SCR mechanism is shown to capture experimental data for all reductants, in most cases, quantitatively.

Keywords
NOx; SCR; Microkinetic model; Ethanol; Hydrocarbon; Silver
First Page Preview
Microkinetic modeling for hydrocarbon (HC)-based selective catalytic reduction (SCR) of NOx on a silver-based catalyst
Publisher
Database: Elsevier - ScienceDirect
Journal: Applied Catalysis B: Environmental - Volume 89, Issues 1–2, 3 July 2009, Pages 229–238
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Catalysis