Numerical Simulation and Parametric Optimization for Enhanced Hydrogen Adsorption/Desorption in Metal Hydride Tanks

This study aims to clarify the influence mechanisms of core operating and structural parameters and provide targeted theoretical support for the optimized design and industrial application of metal hydride (MH) hydrogen storage systems. For this purpose, a two-dimensional axisymmetric numerical model was established to characterize the MH adsorption/desorption processes, which was validated by its consistency with previous experimental data. The innovation lies in clarifying the optimization sensitivity and priority of each parameter in the hydrogen adsorption and desorption processes and further revealing the intrinsic mechanism of parameter coupling on the system’s reaction and thermal performance. Results show that the initial temperature is most critical: 303 K shortens adsorption time by 30% (vs. 323 K), while 323 K cuts desorption time by 50%. Optimal adsorption pressure is 8–10 bar; 0.4 bar outlet pressure reduces desorption time by 37%. Enhancing heat transfer and thermal conductivity significantly shortens reaction times, while porosity has a limited impact. These findings advance the fundamental understanding of metal hydride systems and facilitate their transition from laboratory-scale research to industrial implementation.