@misc{neves_modeling_the_2021, 
author={Neves, A.M., Puszkiel, J., Capurso, G., Bellosta von Colbe, J.M., Milanese, C., Dornheim, M., Klassen, T., Jepsen, J.},
title={Modeling the kinetic behavior of the Li-RHC system for energy-hydrogen storage: (I) absorption},
year={2021},
howpublished = {journal article},
doi = {https://doi.org/10.1016/j.ijhydene.2021.06.227},
abstract = {The Lithium–Boron Reactive Hydride Composite System (Li-RHC) (2 LiH + MgB2/2 LiBH4 + MgH2) is a high-temperature hydrogen storage material suitable for energy storage applications. Herein, a comprehensive gas-solid kinetic model for hydrogenation is developed. Based on thermodynamic measurements under absorption conditions, the system's enthalpy ΔH and entropy ΔS are determined to amount to −34 ± 2 kJ∙mol H2−1 and −70 ± 3 J∙K−1∙mol H2−1, respectively. Based on the thermodynamic behavior assessment, the kinetic measurements' conditions are set in the range between 325 °C and 412 °C, as well as between 15 bar and 50 bar. The kinetic analysis shows that the hydrogenation rate-limiting-step is related to a one-dimensional interface-controlled reaction with a driving-force-corrected apparent activation energy of 146 ± 3 kJ∙mol H2−1. Applying the kinetic model, the dependence of the reaction rate constant as a function of pressure and temperature is calculated, allowing the design of optimized hydrogen/energy storage vessels via finite element method (FEM) simulations.},
note = {Online available at: \url{https://doi.org/10.1016/j.ijhydene.2021.06.227} (DOI). Neves, A.; Puszkiel, J.; Capurso, G.; Bellosta von Colbe, J.; Milanese, C.; Dornheim, M.; Klassen, T.; Jepsen, J.: Modeling the kinetic behavior of the Li-RHC system for energy-hydrogen storage: (I) absorption. International Journal of Hydrogen Energy. 2021. vol. 46, no. 63, 32110-32125. DOI: 10.1016/j.ijhydene.2021.06.227}}