 | DigiE-tos Digital electrolyzer design for technical organic synthesis |
Motivation: DigiE-tos aims to digitize the design and analysis of electrolyzers for technical organic electrosynthesis. Processes in electrolyzers are multiscale, from reaction and degradation processes at electrode surfaces to transport processes at the electrode and power distribution in cells. The resulting behavior of electrolyzers is complex and challenging to understand with experimental methods. Simulations can provide valuable insights, however, existing studies focus only on simple flow distribution and do not realistically represent the fundamental processes at the electrode.
Aims and methodology: The DigiE-tos consortium aims to digitize electrolyzer design and analysis processes for technical organic electrosynthesis through simulations. Currently, simulations are limited to simple fluidic approaches. The focus of this project is on the development of quantitative models that cover the design process from molecular reaction to electrolyzer in order to identify limiting and performance-determining steps and parameters. Experiments, model development, and simulations will be performed to optimize electrolyzer performance. The method is exemplified by the electrochemical Shono reaction of N-formylpyrrolidine to 2-methoxy-N-formylpyrrolidine with hydrogen evolution at the counter electrode as an example. Kinetic measurements are already known from literature, so that an extrapolation to other processes is possible.
Innovations and perspectives: The findings in DigiE-tos significantly support the knowledge-based development and digitalization of new electrolysis processes for organic electrosyntheses. In this way, this project sustainably supports electrification of synthesis in the chemical industry.
Coordinator:
Ulrike Krewer (KIT) ulrike.krewer@kit.edu
Institutes involved:
Institut für Angewandte Materialien – Elektrochemische Technologien (IAM-ET)
Institut für Strömungsmechnanik (ISTM)
Institut für Katalyseforschung und-technologie (IKFT)
