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Application of a Knowledge-Based Expert System for Assisting in Catalyst Design

Published online by Cambridge University Press:  10 February 2011

E. Körting and
M. Baerns
E. Körting
Affiliation:
Institut für Angewandte Chemie Berlin-Adlershof e.V. (Institute for Applied Chemistry), Rudower Chaussee 5, D-12484 Berlin, Germany
M. Baerns*
Affiliation:
Institut für Angewandte Chemie Berlin-Adlershof e.V. (Institute for Applied Chemistry), Rudower Chaussee 5, D-12484 Berlin, Germany, baerns@aca.fta-berlin.de
*
* To whom correspondence should be addressed
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Abstract

The prototype expert system ESYCAD (expert system for catalyst design) was set up for assisting in the design of heterogeneous catalysts. It selects materials as catalyst components which have all required properties for the various (elementary) steps of a target reaction but which do not catalyze undesired side reactions. If necessary, also secondary catalytic components or promoters are selected; furthermore, reaction conditions are proposed if required by catalyst properties. The application of the system is illustrated by examples for CO-hydrogenation, alkane dehydrogenation, and for oxidative coupling of methane.

Information

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 454: Symposium S – Advanced Catalytic Materials–1996 , 1996, 187
Copyright
Copyright © Materials Research Society 1997

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References

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