J

Jana M.

3 records found

Authored

This study highlights new opportunities for optimal reaction route selection from large chemical databases brought about by the rapid digitalisation of chemical data. The chemical industry requires a transformation towards more sustainable practices, eliminating its dependenci ...

Data-driven models are becoming increasingly popular in engineering, on their own or in combination with mechanistic models. Commonly, the trained models are subsequently used in model-based optimization of design and/or operation of processes. Thus, it is critical to ensure t ...

Modelling Circular Structures in Reaction Networks

Petri Nets and Reaction Network Flux Analysis

Optimal reaction pathways for the conversion of renewable feedstocks are often examined by reaction network flux analysis. An alternative modelling approach for reaction networks is a Petri net. These explicitly take the reaction sequence into account. In the optimisation of a ...