Untersuchung selbstoptimierender Reaktorsysteme : Anwendung und Informationsextraktion

• Investigation of self-optimzing reactor systems : application and extraxtion of Information

Heddrich, Steffen Sebastian; Liauw, Marcel (Thesis advisor); Leitner, Walter (Thesis advisor)

Aachen (2016)
Dissertation / PhD Thesis

Dissertation, RWTH Aachen, 2016

Abstract

Self-optimizing reactor systems are a new and innovative technic for fully automatic optimization of reactions. Therefor a continuous reactor setup and an appropriate online analytics are needed. The use of an optimization algorithm leads to optimal reaction conditions in short time by variation of the different process parameters. The system is optimized to the desired parameter like conversion or yield. Next to the optimal process conditions the self-optimizating reactor system had measured many different parameter sets. With these measuring points it is possible to extract kinetic information of the reaction system.In this thesis three different reaction systems were self-optimized and investigated to estimate kinetic data. Additionally, three self-optimized systems were used to determine kinetic parameters.The self-optimization was done with a Paterno-Büchi reaction of benzophenone and furan, a heterogeneous catalysed hydrogenation of benzaldehyde and an acid catalysed Piancatelli rearrangement of furfuryl alcohol to 4-HCP. Every reaction was optimized to the highest possible yield.The extraction of kinetic information was done with the three mentioned reaction systems and three reaction systems from literature - a Knoevenagel reaction, a Heck reaction and an oxidation reaction. In five of the six systems it was possible to estimate kinetic parameters. Additionally, it was possible to determine the 4-HCP depending partition coefficient of furfuryl alcohol in water and toluene. In conclusion the results of this thesis reveal conditions for self-optimizing reactor systems to improve the output of self-optimizing reaction systems and to improve the quality of the extracted kinetic parameters.