CORDIS Project
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This project seeks to advance the modeling of catalytic processes by incorporating the dynamic nature of catalyst structures. It aims to develop a multiscale methodology that predicts how catalysts change under different conditions, improving efficiency in chemical transformations.
Despite the fact that the catalyst structure has been an important factor in catalysis science since the discovery of structure sensitive reactions in single crystal studies, its effect on reactivity is neglected in state-of-the-art microkinetic modelling.
In reality, the catalyst is dynamic by changing its structure, shape and size in response to the different conditions in the reactor.
Thus, the inclusion of such effects within the framework of microkinetic modelling, albeit extremely complex,…
POLITECNICO DI MILANO
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