Mechanochemical regeneration dataset including chemical and invariant mechanical parameters. All data was obtained with EDEM 2021.2 and experimentally using the Emax machine produced by the company Retsch. This dataset supports research on the mechanochemical regeneration of sodium borohydride (NaBH4), a promising hydrogen storage material, using high-energy ball milling. The objective of the study is to understand how mechanical parameters such as ball-to-powder ratio, molar ratio of reactants, and milling time influence the conversion efficiency of NaBH₄ regeneration. The research combines experimental chemistry with numerical simulations based on the Discrete Element Method (DEM) to characterize the mechanical environment within the milling jar. The dataset includes tabular data from 27 experiments, recording process parameters, DEM-derived mechanical descriptors (mean normal and tangential energy per collision, specific collision frequency), and experimentally measured yields.
For a description of how the invariant mechanical parameters were obtained, we refer to: https://doi.org/10.1016/j.powtec.2025.120919
For a description of the experimental work, we refer to: https://doi.org/10.1016/j.ijhydene.2024.11.360
" authors: - family-names: Garrido Nuñez given-names: Santiago orcid: "https://orcid.org/0009-0000-0800-8267" title: "Sodium borohydride (NaBH4) mechanochemical regeneration dataset" keywords: version: 1 identifiers: - type: doi value: 10.4121/19639371-6f45-4f4b-882e-68aacc6a53a5.v1 license: CC BY 4.0 date-released: 2025-06-12