P 05/02


Simulation of catalytic reaction in porous structures and its optical characterization

Porous layers and structures are used in gas sensor and other catalytic applications. For the design especially of the signal response of such sensors it is important to have information on the reaction front and its evolution within the porous layer. In this project the Direct Simulation Monte Carlo (DSMC) method for the simulation of gas diffusion in a porous geometry will be combined with a method to model the heterogeneous catalytic reaction mechanisms, i.e., adsorption, co-adsorption, desorption and reaction of gas species on the surface of the catalytic porous layer. Catalytic reactions will change the number of free electrons in the material which will have an influence on the optics properties of the material. These optical properties can be measured spectroscopically. For validation of the model we will measure the evolution of the reaction front in the layer. We will use the optical setup developed in the first phase of MIMENIMA extended by a spectrometer. There will be strong collaboration with other MIMENIMA projects especially those working on catalysis (Prof. Dr. Marcus Bäumer, Prof. Dr. Jorg Thöming) and fluid dynamics (Prof. Dr.-Ing. Udo Fritsching).

Contact: Wriedt, Mädler, Swapnasrita