Applied Surface Science, Vol.223, No.1-3, 87-101, 2004
Strategies for the discovery of new catalysts with combinatorial chemistry
The combination of random selection and evolutionary strategies with the high-throughput approaches of combinatorial chemistry is demonstrated for the discovery of new heterogeneous catalysts. An approach entirely based on software control was used and a high degree of automation could be achieved. As model reaction we chose CO-oxidation and used heats of reactions monitored by emissivity corrected IR-thermography as figure of merit. New catalysts compositions have been discovered. The catalytic activity of selected compositions was confirmed by conventional catalyst preparation and testing with a conventional fixed bed reactor. Multi-element materials appear to dominate the catalyst evolution. (C) 2003 Elsevier B.V. All rights reserved.
Keywords:evolutionary strategy;design of experiment (DOE);combinatorial chemistry;heterogeneous catalyst;catalyst discovery;materials discovery;high-throughput experimentation;IR-thermography