CORDIS Project
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This project aims to accurately predict chemical reaction rates in nanoporous materials, such as zeolites and metal-organic frameworks, using advanced molecular modeling techniques. It focuses on improving the design of catalysts by understanding the kinetics of reactions at the molecular level.
The design of an optimal catalyst for a given process is at the heart of what chemists do, but is in many times more an art than a science.
The quest for molecular control of any, either existing or new, production process is one of the great challenges nowadays.
The need for accurate rate constants is crucial to fulfil this task.
Molecular modelling has become a ubiquitous tool in many fields of science and engineering, but still the calculation of reaction rates in nanoporous materials is hard…
UNIVERSITEIT GENT
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