金属间化合物的标准熵估算模型

Estimation model for standard entropy of intermetallics

摘要: 在分析已有的热力学数据基础上,建立了估算二元金属间化合物标准熵的双参数模型.用此模型可估算由简单金属形成的二元金属间化合物的标准熵,涉及Fe、Si、Nb、Ti、Cu、Co和Mg等多个体系.估算了132个已知金属间化合物AlCa、AlCo、CrNi、FeTi、FeSi、FeNb和MoSi等的标准熵,平均误差为4.86 J·mol^-1·K^-1,标准差为6.24 J·mol^-1·K^-1.用双参数模型估算的标准熵精度高,其估算误差小于离子束缚模型.

Abstract: A two-parameter model for estimating the standard entropy of binary intermetallics was developed based on the analysis of existing thermodynamic data.The model can estimate the standard entropy of binary intermetallics formed by simple metals,involving the multi-systems of Fe,Si,Nb,Ti,Cu,Co,Mg,etc.The standard entropies of 132 intermetallics,such as AlCa,AlCo,CrNi,FeTi,FeSi,FeNb and MoSi,were estimated.It is found that the average error of standard entropy is about 4.86 J·mol^-1·K^-1 and the standard deviation is 6.24 J·mol^-1·K^-1.The accuracy of standard entropy estimated by the two-parameter model is higher than that estimated by the ion binding model.