Microkinetic models for exhaust-gas after-treatment

Olaf  Deutschmann, Karlsruhe Institute of Technology (KIT)

Optimization of design and operation of catalytic converters require the understanding of the reaction paths on the catalyst and their coupling with mass and heat transport in the exhaust-gas after-treatment device. Microkinetic models can describe the intrinsic chemical conversion and therefore be applied for a wide range of external conditions when coupled with adequate transport and flow models [1]. The potentials, limitations, and challenges of this approach will be presented using examples of lean and low temperature exhaust-gas after-treatment systems such as DOC [2], SCR, and NSC [3]. Spatial attention is given to model transient operation and aging effects as well as issues of dosing the reducing agent for SCR [4].

References

[1] Modeling and Simulation of Heterogeneous Catalytic Reactions: From the Molecular Process to the Technical System. O. Deutschmann (Ed.), Wiley-VCH, Weinheim, 2012.
[2] D. Chan, S. Tischer, J. Heck, C. Diehm, O. Deutschmann. Appl. Catal. B: Env. 156-157 (2014) 153.
[3] J. Koop, S. Tischer, O. Deutschmann. Appl. Catal. B: Env. 91 (2009) 47
[4] W. Brack, B. Heine, F. Birkhold, M. Kruse, G. Schoch, S. Tischer, O. Deutschmann. Chem. Eng. Sci. 106 (2014) 1.