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Analysis of NOx Reaction Kinetics

Application ID: 10194

This suite of examples illustrate the modeling of selective NO reduction, that occurs as flue gases pass through the channels of a monolithic reactor in the exhaust system of a motored vehicle. The simulations are aimed at finding the optimal dosing of NH3, the reactant that serves as reducing agent in the process.

Three different analyses are performed:

Kinetic analysis: The example takes a closer look at the selective reduction in a single channel of the monolithic reactor. The reaction kinetics is analyzed with the Reaction Engineering interface using the Plug flow reactor type.

Detailed process modeling: The example utilizes the optimal dosing of NH3 as found in the above example as a starting point. This model is set up in 3D and can thereby reveal the full space-dependency of the problem with even better tuning of the dosing level.

Thermal stress modeling: The model studies thermal gradients in the monolith unit caused by heat released from the chemical reactions. The Structural Mechanics Module together with the 3d model above is used for this investigation.

This model is included as an example in the following products:

Chemical Reaction Engineering Module

The combination of COMSOL® products required to model your application depends on several factors and may include boundary conditions, material properties, physics interfaces, and part libraries. Particular functionality may be common to several products. To determine the right combination of products for your modeling needs, review the Specification Chart and make use of a free evaluation license. The COMSOL Sales and Support teams are available for answering any questions you may have regarding this.