成果報告書詳細
管理番号20140000000147
タイトル*平成25年度中間年報 水素利用技術研究開発事業 燃料電池自動車及び水素ステーション用低コスト機器・システム等に関する研究開発 燃料電池自動車用水素貯蔵材料に関する研究開発
公開日2014/5/2
報告書年度2013 - 2013
委託先名日本重化学工業株式会社
プロジェクト番号P13002
部署名新エネルギー部
和文要約
英文要約Title: Hydrogen Utilization Technology Development,R&D for the technologies on H2 storage and H2 transport considering H2 produced by renewable energy source, etc. ,R&D for hydrogen storage materials on fuel cell vehicle technologies. (FY2013-FY2015) FY2013 Annual Report (Japan Metals & Chemical Co., Ltd, TOTOTA CENTRAL R&D LABS.,INC.)

To develop BCC-type hydrogen storage alloy with low cost and high durability, Ti12Cr23V64Fe1 alloy obtained thorough “thermite reaction” and “deoxidation using RE metal” was investigated. This alloy has “Al (6810ppm)” and “O (360ppm)” as main impurities, and influence of these impurities for hydrogen storage property in PCT measurement was examined. As a result of the measurement, increasing of H2 equilibrium pressure was prominent compared to that for the Ti12Cr23V64Fe1 alloy using commercial V which has low oxygen content and no Al content. To know this reason, several samples with deferent Al content and O content were synthesized and evaluated by PCT measurements. It was found that main factor to affect H2 equilibrium pressure was Al content in the alloy. In addition, it was appeared that influence of oxygen content in the alloy was relatively small. Hydrogen absorbing/desorbing cyclic properties for these alloys have been investigated.For further cost reduction, V content in the alloy will be needed. Ti25Cr50V25 alloy has lower V content compared to Ti12Cr23V64Fe1 alloy, and influences of Al and O as impurities have been also investigated.As another topic for further cost reduction, improvement of thermite reaction has been carried out. So far, Ti12Cr23V64Fe1 alloy is obtained through 3 steps, i.e. step 1; thermite reaction to obtain V metal, step 2; deoxidation of V metal, and step 3; arc melting with other elements. Trial to obtain the alloy through 1 thermite reaction was done. However, the amount of Ti was low and deoxidation was not sufficient. Selection of suitable crucible will be important.We are also working of new hydrogen storage material. Improvement of “Heusler alloy” and “half Heusler alloy” to be hydrogen storage material is one of the topics. So far, hydrogen storage properties of several samples are measured, and further improvement will be needed.
The improvement of the gravimetric density of hydrogen is a key issue for hydrogen storage alloys. To this end, we have investigated the substitution effects of the first- and second-row elements for vanadium using the first-principles calculations based on density functional theory, since they have lighter atomic masses. We use a supercell containing 32 V atoms where one of them is replaced with a substituent and evaluate the substitution energy and the heat of hydrogenation. The substitution energies are predicted to be negative for Al, S, P, and S. However, these elements destabilize the hydride phases and so are not expected to be preferable. Because the occupied sites of hydrogen as well as its content are fixed in the present calculations, more precise predictions considering these degrees of freedom will be required to judge which element is effective for the improvement of hydrogen capacity. The research in this direction is now in progress.
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