Enhancing Large-scale chemical Reactions based on Elementary Kinetics

01 September 2016 → 31 August 2017
European funding: framework programme
Research disciplines
  • Engineering and technology
    • Chemical kinetics and thermodynamics
catalyst microkinetic modeling
Other information
Project description

A proof-of-concept software tool for microkinetic model construction, ready for commercialization will be developed starting from an available version of the tool that has been validated in an academic research context. A detailed understanding of the elementary steps involved in large-scale chemical reactions provides several advantages: it may not only lead to a better control of the corresponding processes and, hence, safer operation, it also provides a sound basis for enhanced process design. More particularly in the area of catalysis, material development has typically occurred using trial-and-error procedures. While the number of catalysts that could be evaluated has been augmented by so-called high-throughput techniques, an adequate understanding of the underlying phenomena was still limited. Microkinetic modeling is ideally suited to get a view on these phenomena, as it accounts for all elementary steps in the reaction mechanism without any simplifying assumption.

Funded by the European Union. Views and opinions expressed are however those of the author(s) only and do not necessarily reflect those of the European Union or the European Research Council Executive Agency (ERCEA). Neither the European Union nor the authority can be held responsible for them.