Graduate Student, Department of Chemical Engineering
Researcher
|
Prof Joris W. thybaut
Prof Guy B. Marin |
About
Microkinetic modelling of chemical reactions based on elementary steps frequently leads to so-called ill-posed problems. The use of predictive kinetics allow addressing these issues. The applicability of a predictive kinetics technique towards catalytic reactions rather than gas phase reactions will be assessed.
The general applicability of the microkinetic engine is to be enhanced, e.g., by incorporating tools for automatic reaction network generation. Automatic reaction network generation is to be performed for some well-studied reactions such as light alkane hydroisomerisation or xylene isomerisation.






