通过对Mg(2-x)MxNi(M=Ti,Ag,Al)储氢合金材料的焓变、熵变、吸氢量与组成和键参数之间关系的分析,建立了焓变、熵变和吸氢量的半经验数学模型,得出影响焓变、熵变、平衡氢压和吸氢量的主要因素及其显著性的大小.结果表明:在所研究的合金体系中,电负性差△X和弹性模量G增大,则氢化物的生成焓△H0负值减小,原子尺寸δ增大时,氢化物的△H0负值增大.氢化物的△S0随着△X增大而增大.合金弹性模量、原子尺寸、电荷半径和温度越高,材料的储氢量越大,而电子密度越大,材料的储氢量反而越小.
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