Numerical simulation and experimental validation of Ti0.95Zr0.05Mn0.9Cr0.9V0.2 alloy in a metal hydride tank for high-density hydrogen storage

Abstract

In order to achieve rapid hydrogen charging and discharging of high-density hydrogen storage alloys in metal hydride (MH) tank, it is key to optimize the design of MH tank by simulation based on a credible numerical model. Herein, a multi-physical field mathematical model coupled with kinetic equations and heat & mass transfer equations for the de-/hydrogenation of Ti0.95Zr0.05Mn0.9Cr0.9V0.2 alloy in MH tank is proposed. According to experimental kinetic curves, appropriate kinetic equations dominated by different rate control steps are chosen for simulating gas-solid reactions. With excellent match between experimental and simulated kinetic results under different pressure and temperature operating conditions, a novel numerical model is established to predict the local temperature variation during the de-/hydrogenation of Ti0.95Zr0.05Mn0.9Cr0.9V0.2 alloy in a self-designed hydrogen storage tank with high-density hydrogen storage of 55.1 g H2/L. Interestingly, further calculated results reveal that the temperature evolution can be accurately matched, which proves the reliability of the designed numerical model and favors to predict the de-/hydriding behaviors. This investigation provides an effective means for subsequent structure optimization and energy & mass transfer performance optimization of high-density hydrogen storage devices, and sheds light on the numerical simulation of heat & mass transfer for advanced energy storage applications.