Fraunhofer Institute for Environmental-, Saftey and Energy TechnologySubproject 4
While computational tools simplify procedures, they necessitate the use of suitable interaction potentials to replicate experimental results to forecast hydrogen production capacity and storage efficiency at various pressures, and temperatures. The combination of computer simulations and experimental observations can expedite the shift to a hydrogen-based energy economy and enhance our comprehension of the underlying mechanisms.
Subproject 4 contributes to the various work steps over the entire duration of the project. First, optimal material compositions of the silica aerogels and the HEAs are determined to create the highest possible H2 storage density and optimal sorption conditions. These findings will be incorporated into subproject 1.
Subsequently, initial results on H2 storage will be evaluated and will be incorporated into the consideration of the storage process (subproject 3). Finally, multiscale modeling is carried out on the example of the respective materials to gain insights into the overall process development.
FSM | WUT