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A numerical model describing the ammonia based SCR process of NOX on zeolite catalysts is presented. The model is able to simulate coated and extruded monoliths. The development of the reaction kinetics is based on a study which compares the activity of zeolite and vanadium based catalysts. This study was conducted in a microreactor loaded with washcoat powder and with crushed coated monoliths. A model for the SCR reaction kinetics on zeolite catalysts is presented. After the parameterization of the reaction mechanism the reaction kinetics were coupled with models for heat and mass transport. The model is validated with laboratory data and engine test bench measurement data over washcoated monolith catalysts. A numerical simulation study is presented, aiming to reveal the differences between zeolite and vanadium based SCR catalysts.

A 1D+1D numerical model describing the ammonia based SCR process of NO and NO2 on vanadia-titania catalysts is presented. The model is able to simulate coated and extruded monoliths. Basing on a fundamental investigation of the catalytic processes a reaction mechanism for the NO/NO2 - NH3 reacting system is proposed and modeled. After the parameterization of the reaction mechanism the reaction kinetics have been coupled with models for heat and mass transport. Model validation has been performed with engine test bench experiments. Finally the model has been applied to study the influence of NO2 on SCR efficiency within ETC and ESC testcycles, Additional simulations have been conducted to identify the potential for catalyst volume reduction if NO2 is present in the inlet feed.

A two-dimensional numerical model describing the ammonia based SCR-process on vanadia-titania catalysts is presented. The model is able to simulate coated and extruded monoliths. For the determination of the intrinsic kinetics of the various NH3-NOx reactions, unsteady microreactor experiments were used. In order to account for the influence of transport effects the kinetics were coupled with a fully transient two-phase 1D+1D monolith channel model. The model has been validated extensively with laboratory data and engine test bench measurements. After validation the model has been applied to calculate catalyst NOx conversion maps, which were used to define catalyst sizes. Additional simulations were conducted studying the influence of cell density and NH3-dosage ratio.