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 ∆H and entropy ∆S 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 onedimensional 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.
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