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Aug 24, 2023#合集41

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The research groups mentioned in the text focus on various aspects of catalytic reaction kinetics. The KIT-Olaf team specializes in microscale modeling of catalytic reaction kinetics. The ivofilot team focuses on theoretical and computational chemistry. The Schimdt team is involved in the development of next-generation computational force fields and the study of nucleation and crystallization of metal-organic frameworks. The Vlachos team works on the derivation of various raw materials, including biomass, food waste, and plastics, to produce renewable fuels, chemicals, and green ammonia. The Wintterlin team studies surface dynamics and catalytic reactions on cobalt and silver catalysts, as well as metal surface epitaxy graphene. The practical tool mentioned is the RMG-Cat, which is an automated tool for generating reaction mechanisms in heterogeneous catalysis.

Catalytic Reaction Kinetics Research Group:

KIT-Olaf Team
Microscopic Catalytic Reaction Kinetics Multiscale Modeling

ivofilot Team
Theoretical and Computational Chemistry

Schmidt Team
Next-generation ab initio force field development
Microscopic Kinetic Simulation
Metal-Organic Framework Nucleation and Crystallization

Vlachos Team
Circular Economy and Derivatization of Various Feedstocks, including Biomass, Food Waste, Other Waste Streams, and Plastics, to Produce Renewable Fuels, Chemicals, and Green Ammonia. It integrates molecular-level catalysis, kinetics and reaction mechanisms, catalyst informatics and silicon materials prediction, catalyst active site determination, continuous intensified chemical processing, and electrochemical chemical processes.

Wintterlin Team
Surface Kinetics
Fischer-Tropsch Synthesis on Cobalt Model Catalysts
Silver-Catalyzed Epoxidation of Ethylene
Metal Surface Epitaxial Graphene

Practical Tools:

Automated Generation of Multiphase Catalytic Reaction Mechanisms: RMG-Cat