Novel method of manufacturing hydrogen storage materials combining with numerical analysis based on discrete element method.

摘要

High efficiency hydrogen storage method is significant in development of fuel cell vehicle. Seeking for a high energy density material as the fuel becomes the key of wide spreading fuel cell vehicle. LiBH4 + MgH 2 system is a strong candidate due to their high hydrogen storage density and the reaction between them is reversible. However, LiBH4 + MgH 2 system usually requires the high temperature and hydrogen pressure for hydrogen release and uptake reaction. In order to reduce the requirements of this system, nanoengineering is the simple and efficient method to improve the thermodynamic properties and reduce kinetic barrier of reaction between LiBH4 and MgH2.;Based on ab initio density functional theory (DFT) calculations, the previous study has indicated that the reaction between LiBH4 and MgH2 can take place at temperature near 200°C or below. However, the predictions have been shown to be inconsistent with many experiments. Therefore, it is the first time that our experiment using ball milling with aerosol spraying (BMAS) to prove the reaction between LiBH4 and MgH2 can happen during high energy ball milling at room temperature. Through this BMAS process we have found undoubtedly the formation of MgB 2 and LiH during ball milling of MgH2 while aerosol spraying of the LiBH4/THF solution. Aerosol nanoparticles from LiBH 4/THF solution leads to form Li2B12H12 during BMAS process. The Li2B12H12 formed then reacts with MgH2 in situ during ball milling to form MgB 2 and LiH.;Discrete element modeling (DEM) is a useful tool to describe operation of various ball milling processes. EDEM is software based on DEM to predict power consumption, liner and media wear and mill output. In order to further improve the milling efficiency of BMAS process, EDEM is conducted to make analysis for complicated ball milling process. Milling speed and ball's filling ratio inside the canister as the variables are considered to determine the milling efficiency. The average and maximum speed of balls is critical to affect the collision force among balls. High collision force can be achieved by applying large torque on the milling shaft. The high milling speed and large ball's filling ratio increase the torque and average speed of balls. However, the high average speed and large torque lead to non-uniformed milled material. Therefore, appropriate milling speed and ball's filling ratio are ought to be selected to have better milled materials.;The results of this study lead to the feasibility of LiBH4 + MgH2 system for reversible hydrogen storage application near ambient temperature. Applying appropriate ball's filling ratio and milling speed can improve the milling efficiency of BMAS method.