Prozess modeling, simulation und optimization

Modeling, simulation and optimization take place on three levels:

  • Modeling of the catalyzed electrochemical reaction with adjustments to the reaction parameters
  • Modeling of electrochemical cells
  • Modeling of overall processes

For this process, a high product yield must be achieved with as little total output as possible. Both values depend on the design of the flow diagram and the chosen operating point. Because indivi- dual target functions compete with each other, this creates a multi-criteria optimization problem. An interactive decision support tool for multidimensional data sets helps visualize the results and control the electrochemical processes according to the energy market.

The “Process modeling, simulation, and optimization” area provides the following innovative solutions for industrial applications:

  • Expanded methodology for evaluating RRDE1 experiments
  • Independent Aspen module for mapping electrochemical cells
  • Coupling of the Aspen simulation with multi-criteria optimization and sustainability analysis
  • Software, including a graphic interface, for decision support during electrosynthesis


1 RRDE: Rotating ring disc electrode