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

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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.

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Acknowledgement

This work has been partly supported by the European Union (contract no. EN3V/0042-D(B)) and Fonds der Chemischen Industrie.

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Authors and Affiliations

  1. Institut für Angewandte Chemie Berlin-Adlershof e.V. (Institute for Applied Chemistry), Rudower Chaussee 5, D-12484, Berlin, Germany

    E. Körting & M. Baerns

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  1. E. Körting
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  2. M. Baerns
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Correspondence to M. Baerns.

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Körting, E., Baerns, M. Application of a Knowledge-Based Expert System for Assisting in Catalyst Design. MRS Online Proceedings Library 454, 187–198 (1996). https://doi.org/10.1557/PROC-454-187

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