Model development for heterogeneous catalytic reactors

​A large part of research concerning heterogeneous catalysts is experimental based.  Kinetic models are then developed from experiments.   

A goal with this project is partly to do the opposite, i.e. use kinetic models to propose effective experiments aimed at understanding the network of reactions occurring and the function of the catalytic material.  Another goal is to improve the use of parameters obtained from other forms of modeling such as at the atomic level.  We plan also to use experimental techniques to be able to identify the reaction intermediates on the solid catalyst to be included in the kinetic model. 

With the approach in this project, a kinetic model would be used as a prototype of our understanding of a reaction mechanism that evolves by integrating experimental observations and knowledge and can be used to plan new experiments.  With this approach a kinetic model can become an important tool to study catalytic reactions because they provide a quantitative picture of how the catalyst functions.  A more powerful quantitative understanding of how a catalyst functions is an important tool for the development of new catalysts and catalytic processes. 

​The project is relevant for the Transport Area of Advance at Chalmers and is financed by the Swedish Research Council.

Published: Wed 27 Mar 2013. Modified: Mon 28 Oct 2013