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55. Jahrestreffen Deutscher Katalytiker

Poster Workshop 2

Towards Digitalization: Artificial Intelligence and Machine Learning in Catalysis

Room: Seminar 1 + 2

Moderator: R. Eckert, Clariant Produkte (Deutschland) GmbH, Bruckmühl/D

Kinetic modelling of the deactivation of a Pd/TiO2 catalyst during the gas-phase hydrogenation of nitrobenzene
J. Schulwitz¹; H. Mohrbach¹; C. Pflieger¹; M. Muhler¹
¹ Ruhr-Universität Bochum, Bochum/D
Metal-Support Interactions in Heterogeneous Catalysis: DFT Calculations on the Interaction of Copper Nanoparticles with Magnesium Oxide
A. Hakimioun¹; B. Vandegehuchte²; D. Curulla-Ferré²; K. Kazmierczak²; P. Plessow³; F. Studt³
¹ Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen/D; ² TotalEnergies One Tech Belgium, Seneffe/B; ³ Karlsruhe Institute of Technology (KIT), Eggenstein-Leopoldshafen/D
Theoretical Investigation of Ethanol-to-Olefins Reaction Pathways in H-SSZ-13 with Kinetic Modeling based on ab initio Calculations
J. Amsler¹; S. Bernart¹; P. Plessow¹; F. Studt¹
¹ Karlsruhe Institute of Technology (KIT), Eggenstein-Leopoldshafen/D
Iron catalysed oxidation kinetics of cellulose-derived chars
C. Pflieger¹; T. Eckhard¹; J. Böttger¹; P. Telaar¹; J. Schulwitz¹; S. Schmidt¹; F. Cerciello¹; M. Muhler¹
¹ Ruhr-University Bochum, Bochum/D
A Data Science Workflow for a Systematic Investigation of Surface Modified Oxidation Catalysts
F. Ebert¹; F. Rüther¹; R. Baumgarten¹; S. Lohr²; F. Rosowski²; R. Kraehnert¹
¹ BasCat - UniCat BASF Joint Lab, Technische Universität Berlin, Berlin/D; ² BASF SE, Process Research and Chemical Engineering, Ludwigshafen/D
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