Computer simulations for electrochemical and thermal energy storage

The subject area of computer-assisted electrochemistry aims to create theory-based material, electrode and cell designs on the computer. This field is represented by the two groups “Theory of Electrochemical Systems” and “Microstructure Simulation and Applications” at the Helmholtz Institute Ulm (HIU), where the following battery types are investigated:

• Li-ion batteries
• Novel batteries
• Solid electrolyte batteries

By deriving mathematical equations for electrochemical processes in batteries from thermodynamics, they can simulate ion transport in microstructure-dissolved electrodes. Entire battery cells are optimized with the help of experimental research groups. The modeling allows DLR to gain an insight into nanoscopic processes at interfaces. These interfaces determine the performance and service life of the electrochemical energy storage systems.

At the Stuttgart location, the group “Modelling of Fuel Cells and Electrolysis” deals with the physical modeling and simulation of high and low temperature technologies. The following are The following cell types are investigated:

• Polymer electrolyte fuel cells
• Solid oxide cells

Multiscale models as well as microstructure-resolved models are used with the main topics:

• Understanding aging processes
• Performance limits and simulation-based optimization

More on:

-> Battery Modelling

-> Fuel Cell Modelling

-> Theory based Modelling