The design of heat exchangers plays an important role in the performance of solid-state hydrogen storage devices. In this study, three different designs of hydrogen storage devices were investigated, incorporating phase change material (PCM), specifically, RT25HC into their walls in various shapes. A mathematical model, validated using previous experimental data, was employed to calculate heat and mass transfer and determine the reaction time period. The calculations were conducted using ANSYS Fluent, with a constant hydrogen supply pressure of 10 bars and a temperature of 295 K. The absorption properties of the storage reactor were investigated through various parameters such as liquid fraction, hydrogen concentration, and natural convection heat transfer coefficients. Results showed that the geometric structure and PCM distribution significantly impacted the performance of the hydrogen storage devices. Design 1, with a centralized PCM distribution, demonstrated moderate heat transfer rates and a longer reaction time. Design 2, featuring a more distributed PCM layout, improved heat transfer rates and reduced hydrogen kinetics time by 40%. Design 3, which optimized the geometric structure with advanced PCM shapes, achieved the highest heat transfer rates and improved hydrogen kinetics time by 50%. This design also enabled the storage of thermal energy at a high density, ranging from 10.2 J/g to approximately 190.5 J/g. The study provides critical information on the design of efficient solid hydrogen storage processes. The findings suggest significant potential for improved performance in industrial applications such as electric vehicles and domestic energy supply. The high efficiency of the large-scale reactor is due to its well-designed system, which effectively converts chemical energy into thermal energy. Optimizing the reactor geometry and PCM distribution is crucial for achieving superior hydrogen storage and retrieval performance.