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i-CaD Report Summary

Project ID: 615456
Funded under: FP7-IDEAS-ERC
Country: Belgium

Periodic Report Summary 2 - I-CAD (Innovative Catalyst Design for Large-Scale, Sustainable Processes)

A rational catalyst design methodology is being devised based on microkinetic modeling. Three challenging reactions, i.e., glycerol hydrogenolysis, pyrolysis oil hydrotreatment and ethanol dehydrogenation have been selected as target reactions for the project and receive support from the methodological line through the project on microkinetic modeling. Reference kinetics have been measured and published for glycerol hydrogenolysis on a commercial Cu based catalyst, alternative catalysts are currently being catalyzed in order to determine the most suited way towards a novel catalyst generation. HDO has been performed for model components such as anisole, propionic acid, phenol on catalysts received from 2 different partners. A series of explorative, carbided Mo catalysts has been received from SINTEF, while more established NiCu based catalysts have been received from the Boreshkov Institute for Catalysis. Suggestions for novel catalyst generations are being derived from the acqcuired results. In the second half of the project, a transition will be made from model component behavior towards more realistic feeds. Ethanol dehydrogenation is being investigated on novel PdZn nanoparticles made from a one-pot-synthesis. A cycled reduction strategy gives the most active, selective and stable catalysts, from which the water tolerance is at present being assessed. Simulation software is being further developed within the applications foreseen for the project and beyond, e.g., semiconductor properties simulation. The same software is the subject of a spin-off company that is currently being established, among others, supported by an ERC Proof-of-Concept grant ELR1K.

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