The present work adopts a multidimensional CFD methodology to investigate the thermal coupling between Phase Change Materials coupled and intermetallic Metal Hydrides, for hydrogen storage and delivery. In contrast to the currently available literature on this topic, the focus here is shifted from specific application-oriented modeling towards the systematic identification of a minimum set of parameters to highlight eventual similarity patterns among different PCM families. To achieve this goal, a representative cylindrical-type MH-PCM system model has been defined for a discharge-mode configuration, taking into account engineering-related constraints like the optimal hydrogen pressure delivery and hydrogen massflow control. The results obtained are expected to significantly improve design practices based on standard CFD methods, as well as to pave the way for the derivation of fast and accurate data-driven model surrogates for real-time modeling applications.