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金屬間化合物的標準熵估算模型

Estimation model for standard entropy of intermetallics

  • 摘要: 在分析已有的熱力學數據基礎上,建立了估算二元金屬間化合物標準熵的雙參數模型.用此模型可估算由簡單金屬形成的二元金屬間化合物的標準熵,涉及Fe、Si、Nb、Ti、Cu、Co和Mg等多個體系.估算了132個已知金屬間化合物AlCa、AlCo、CrNi、FeTi、FeSi、FeNb和MoSi等的標準熵,平均誤差為4.86 J·mol-1·K-1,標準差為6.24 J·mol-1·K-1.用雙參數模型估算的標準熵精度高,其估算誤差小于離子束縛模型.

     

    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.

     

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