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Information-Driven Catalyst Design Based on High-Throughput Intrinsic Kinetics

Laboratory for Chemical Technology, Ghent University, Technologiepark 914, Ghent 9052, Belgium
Author to whom correspondence should be addressed.
Academic Editor: Klaus Stöwe
Catalysts 2015, 5(4), 1948-1968;
Received: 15 October 2015 / Revised: 30 October 2015 / Accepted: 4 November 2015 / Published: 16 November 2015
(This article belongs to the Special Issue High-Throughput Catalysts)
PDF [795 KB, uploaded 16 November 2015]


A novel methodology is presented for more comprehensive catalyst development by maximizing the acquired information rather than relying on statistical methods or tedious, elaborate experimental testing. Two dedicated high-throughput kinetics (HTK) set-ups are employed to achieve this objective, i.e., a screening (HTK-S) and a mechanistic investigation one (HTK-MI). While the former aims at evaluating a wide range of candidate catalysts, a limited selection is more elaborately investigated in the latter one. It allows focusing on an in-depth mechanistic analysis of the reaction mechanism resulting in so called “kinetic” descriptors and on the effect of key catalysts properties, also denoted as “catalyst” descriptors, on the catalyst performance. Both types of descriptors are integrated into a (micro)kinetic model that allows a reliable extrapolation towards operating conditions and catalyst properties beyond those included in the high-throughput testing. A case study on ethanol conversion to hydrocarbons is employed to illustrate the concept behind this methodology. The methodology is believed to be particularly useful for potentially large-scale chemical reactions. View Full-Text
Keywords: high-throughput; methodology; catalyst design; intrinsic kinetics; ethanol conversion high-throughput; methodology; catalyst design; intrinsic kinetics; ethanol conversion

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MDPI and ACS Style

Borght, K.V.; Toch, K.; Galvita, V.V.; Thybaut, J.W.; Marin, G.B. Information-Driven Catalyst Design Based on High-Throughput Intrinsic Kinetics. Catalysts 2015, 5, 1948-1968.

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