Modeling and simulation of heterogeneous catalytic reactions: from the molecular process to the technical system

The Nobel Prize in Chemistry 2007 awarded to Gerhard Ertl for his groundbreaking studies in surface chemistry highlighted the importanceof heterogeneous catalysis not only for modern chemical industry but also for environmental protection. Heterogeneous catalysis is seen asone of the key technologies which could solve the challenges associated with the increasing diversification of raw materials and energy sources. It is the decisive step in most chemical industry processes, a major method of reducing pollutant emissions from mobile sources and is present in fuel cells to produce electricity.