典型离子化合物标准熵的估算模型

Estimating Model of Standard Entropy of Typical Ionic Compounds

提出了用于估算典型离子化合物标准熵的双参数模型。此模型可以用来估算由碱金属、碱土金属与氧族元素和卤族元素组成的离子化合物的标准熵。模型通过回归求解给出了估算时各元素的估算参数值。由此模型估算离子化合物的标准熵时,平均误差为2.473J.mol-1.K-1,标准差为3.274J.mol-1.K-1。模型估算误差符合正态分布,并且在与离子束缚模型等估算模型比较中显示了较高的精确度,优于现有的其他估算方法。

The two-parameter estimating model was proposed, which can estimate standard entropy of typical ionic compounds. The ionic compounds were composed by alkali metals, alkaline-earth metals with oxygen and halogen family elements. Estimating parameters of totally 17 kinds of elements were given by multiple linear regression. The average error is 2. 473J· mo1-1 · K-1 , and the standard deviation is 3. 274 J · mol-1· K 1 when standard entropy are estimated by means of the two-parameter estimating model. This estimating model has high precision and estimating errors of it are concentrative in normal distribution. The two-parameter estimating model is better than any other methods such as Latimer model and Kier-Hall model.