论文部分内容阅读
利用 Miedema理论和几何模型计算了合金 La- M,Ni- M( M=La,Ni,Co,Mn,Al,Cr,Fe,Cu,Ga)和稀土系贮氢三元合金系统 La Ni5- x Mnx( M=Co,Mn,Al,Cr,Fe,Cu,Ga)的生成焓 ,计算结果与已有实验结果符合得较好 .结果表明 ,添加合金组元 Mn,Co,Cr,Fe和 Cu,三元合金 La Ni5- x Mx 的生成焓有不同程度的增大 ,而添加Al,Ga生成焓则明显减小 .讨论了生成焓对高温氢化时合金发生歧化反应的影响 ,合金的生成焓愈大 ,对歧化反应愈有利 .计算得到的生成焓数据与实验获得的合金歧化反应趋势和程度相符合
Based on the Miedema theory and the geometrical model, La Ni 5-x (La = M = La, Ni, Co, Mn, Al, Cr, Fe, Cu, Ga) and rare earth hydrogen storage ternary alloy system La Ni 5-x The calculated enthalpies of Mnx (M = Co, Mn, Al, Cr, Fe, Cu and Ga) are in good agreement with the existing experimental results.The results show that the addition of Mn, Co, Cr, Fe and Cu , The formation enthalpies of ternary alloys La Ni5-x Mx increased to some extent, while the formation enthalpies of Al and Ga additions decreased obviously.The effects of formation enthalpies on the disproportionation reaction of alloys during hydrogenation at high temperature, the formation enthalpies of the alloys The larger the more favorable the disproportionation reaction, the calculated formation enthalpy data is consistent with the trend and degree of experimental disproportionation reaction