How to perform a catalyst screening with thousands of reactants/products?
Many catalytic reactions involve thousands of types of molecules with different nature, interacting one another and with the catalyst. In such cases, performing a catalyst screening is rather difficult because simple concepts such as “conversion” cannot be calculated straight forward. Based on a detailed product analysis, we propose in this work a methodology to account and quantify catalyst activity in complex multi-parallel chemistries with heavy fractions. This is a step forward into the rational reaction engineering of these processes.
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Palos, R., Kekäläinen, T., Duodu, F., Gutiérrez, A., Arandes, J.M., Jänis, J., Castaño, P., Screening Hydrotreating Catalysts for the Valorization of a Light Cycle Oil/Scrap Tires Oil Blend Based on a Detailed Product Analysis,Appl. Catal. B: Environ. (0926-3373), 256 (2019) 117863. DOI: 10.1016/j.apcatb.2019.117863.