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MM: Fachverband Metall- und Materialphysik
MM 12: Materials for the Storage and Conversion of Energy
MM 12.10: Vortrag
Dienstag, 18. März 2025, 12:45–13:00, H22
Nanoscopic Bubble Formation during Hydrogen Desorption: Insight from Simulations and Neutron Scattering at the Nanometer Scale and its Impact on Hydrogen Storage Performance — •Arnab Majumdar1, Neslihan Aslan1, Martin Müller1,2, and Sebastian Busch1 — 1GEMS at MLZ, Helmholtz-Zentrum Hereon — 2Kiel University
Chemical hydrogen storage using complex hydrides is promising; characterizing the process at various length scales is crucial for optimizing this approach. At the nanometer length scale and below, neutron scattering is a powerful non-destructive technique, in particular because of hydrogen's significant scattering interaction with neutrons. Additionally, neutrons scatter differently depending on the isotope, allowing deuterium to be used in place of hydrogen.
Small Angle Neutron Scattering (SANS) is suited for characterizing structures at the nanometer length scale. In situ measurements confirmed the occurrence of the hydrogen storage process but the measurements alone could not provide complete details about the processes.
Computer simulations were performed; the most suitable model described the nanoscopic structure using the probability distribution of different compounds. The evolution of initial to final probability distribution was modelled according to different chemical kinetic models. This approach qualitatively reproduces the experimental data, suggesting the presence of trapped gas at the nanometer scale during desorption. This key insight enables an estimate of volumetric performance at the engineering scale, which shows a good match with experiments.
Keywords: hydrogen storage; neutron scattering; small angle scattering; simulation