Dongda Zhang

Abstract Data‐driven and Hybrid Modelling for Reactor EngineeringDeveloping advanced digital technologies to operate chemical and biochemical reaction processes is one of the primary research themes highlighted by the 4th Industrial Revolution. However, selecting and combining effective modelling techniques (e.g. kinetic modelling, machine learning, process analytical technology, and soft-sensing) to enable smarter reactor…

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Gadi Rothenberg

Abstract  Practical Tools for Catalyst Discovery and Optimisation in the Digital EraCatalysis is a key enabling technology for synthesising everything from petrochemicals all the way to pharmaceuticals.[1] Yet though its principles are over 150 years old, the discovery of a new catalyst can shake the chemical industry. Over the years,…

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Blaž Likozar

Abstract Tandem Catalysis/Reactor Design: A Myth or Digital Twinning Reality?While the Renaissance ideal of understanding and describing the reality remains unchallenged, the approach has changed. First, rather successful attempts of using elegant relations as models have given way to correlations, aimed at prediction and far removed from fundamental understanding. A…

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Federico Galvanin

Abstract Development and Application of Machine Learning‐Assisted Techniques for Kinetic Model IdentificationThe quantitative description of the behaviour of reacting systems requires the identification of an appropriate set of kinetic model equations. This identification problem poses substantial challenges to the modeller as there may be a large number of potentially appropriate kinetic…

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