Christian Breuer, Martin Lucas, Frank-Walter Schutze and Peter Claus Pages 59 - 70 ( 12 )
A multi-criteria optimisation procedure based on genetic algorithms is carried out in search of advanced heterogeneous catalysts for total oxidation. Simple but flexible software routines have been created to be applied within a search space of more then 150,000 individuals. The general catalyst design includes mono-, bi- and trimetallic compositions assembled out of 49 different metals and depleted on an Al2O3 support in up to nine amount levels. As an efficient tool for high-throughput screening and perfectly matched to the requirements of heterogeneous gas phase catalysis - especially for applications technically run in honeycomb structures - the multi-channel monolith reactor is implemented to evaluate the catalyst performances. Out of a multi-component feed-gas, the conversion rates of carbon monoxide (CO) and a model hydrocarbon (HC) are monitored in parallel. In combination with further restrictions to preparation and pretreatment a primary screening can be conducted, promising to provide results close to technically applied catalysts. Presented are the resulting performances of the optimisation process for the first catalyst generations and the prospect of its auto-adaptation to specified optimisation goals.
Genetic algorithm, catalyst optimisation, monolith, multi-channel reactor, total oxidation
Department of Chemistry, Ernst-Berl-Institute of Technical and Macromolecular Chemistry, ChemicalTechnology II, Darmstadt University of Technology, Petersenstrasse 20, D-64287 Darmstadt, Germany.