Numerical simulation and experimental validation of Ti0.95Zr0.05Mn0.9Cr0.9V0.2 alloy in a metal hydride tank for high-density hydrogen storage
Liujun Zhan, Panpan Zhou, Xuezhang Xiao, Ziming Cao, Mingyuan Piao, Zhinian Li, Lijun Jiang, Zhipeng Li, Lixin Chen
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 Ti 0.95 Zr 0.05 Mn 0.9 Cr 0.9 V 0.2 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 Ti 0.95 Zr 0.05 Mn 0.9 Cr 0.9 V 0.2 alloy in a self-designed hydrogen storage tank with high-density hydrogen storage of 55.1 g H 2 /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 .