Simulation of Selective Catalytic Reduction using DARS 1D Tool

This presentation illustrates a new application of the previously developed 1D transient DARS Catalyst model for the simulation of a Selective Catalytic Reduction (SCR) catalyst.

Initially demonstrated for NOx-Storage Catalyst (NSC), the DARS Catalyst model uses a single-channel or a set of representative channels for the simulation. This model is fully valid and employed further for the SCR catalyst. Each channel is discretized into a number of cells. Each cell is treated as a Perfectly Stirred Reactor (PSR) with a thin film layer for washcoat treatment. Three global parameters are used to align the detailed chemistry model with a given catalyst topology and composition. This allows considering the detailed surface chemistry, molecular diffusion and heat conductivity while maintaining affordable CPU time.

The work is a recent extension of the DARS model to account for SCR-typical surface chemistry. A chemical mechanism for Cu-ZSM-5 is implemented for this purpose. Results from the validation are highlighted in this presentation. It is shown that the model is applicable for studies of transient processes in SCR catalysts.

The new chemistry implementation provides a reliable and easy-to-use tool for SCR processes simulation and adds to the capabilities of the DARS 1D family of models for covering full powertrain simulations.

K. Fröjd & F. Mauss: “A Three-Parameter Transient 1D Catalyst Model”, SAE Int. J. Engines 4(1):1747-1763, 2011, doi:10.4271/2011-01-1306.
L. Olsson, H. Sjövall, R.J. Blint: “A kinetic model for ammonia selective catalytic reduction over Cu-ZSM-5”, Appl. Catalysis B: Environmental, Vol. 81, 2008, 203-217.

Karin Froejd
Speaker Company: