一个用于预测稀土化合物标准生成焓的新结构参数

提出了一个新的原子参数 Hi 和分子结构参数H .H和 84种稀土化合物的标准生成焓有良好的线性相关性 ,运用最小二乘法建立回归方程 -ΔfHθm =1 5 5 .83 +1 0 4 1 .6 6H ,相关系数为 0 .979,在α =0 .0 1下通过F检验 .结果表明 ,H能够用于预测化合物的性质

A new structural parameter used for estimating standard formation enthalpies of rare earth compounds

The atomic parameter Hi and the molecular structural parameter H are defined. There is a high correlativity between standard formation enthalpies △fHβm of 84 species of rare earth compounds and H, with the coefficient of correlation being 0.979. The linear regression equation - △fHβm = 155 .83 + 1 041.66 H , is built up by the least square method, and proved highly effective by the F test under the significance level α = 0.01. The results suggest that H is a useful parameter in predicting compounds' properties.