(中南大学 材料科学与工程学院， 长沙 410083)
摘 要: 采用SGTE纯单质数据库中Gibbs能的表达式， 结合JANAF热力学实验数据， 用最小二乘法对金属元素Cu的Gibbs能表达式进行重新评估。 重新评估后的转变热容、 转变焓和转变熵分别为-0.187 J/(mol·K)、 13.138 kJ/mol和9.675 J/(mol·K)， 与实验数据符合很好。 运用Debye-Grüneisen模型研究Cu从 0 K到熔点的热力学性质， 结果发现模型计算的低温热容值偏低， 从而导致模型计算的转变熵和Gibbs能偏大。 运用Debye-Grüneisen模型研究过冷液体的热力学性质， 并通过保持熔点热容、 焓和熵值的连续性， 得到液相Cu的热容和Gibbs能等热力学性质， 结果与实验值数据符合较好。
关键字: Cu； Gibbs能； 评估； 热力学性质； Debye-Grüneisen模型； 过冷液体
pure elemental Cu
（School of Materials Science and Engineering, Central South University,
Changsha 410083, China）
Abstract: The transition data and Gibbs energy functions of pure elemental Cu in SGTE database were reassessed using the least-square method and adopting the newly available thermochemical reference JANAF data in the fourth edition. The results of transitional heat capacity, enthalpy and entropy are -0.187 J/(mol·K), 13.138 kJ/mol and 9.675 J/(mol·K), respectively, and these data agree well with JANAF data. Debye-Grüneisen model was applied to study the thermodynamic properties of fcc and supercooled liquid phase from 0 K to 1 357.77 K. It is found that the heat capacity of Debye-Grüneisen model at low temperature is lower than experimental data and leads to the higher transitional entropy and Gibbs energy. Keeping the continuum of cp, H and S between the supercooled and real liquid phase of Cu at melting point, the thermodynamic properties of liquid Cu can be obtained and they agree well with JANAF data as well.
Key words: Cu; Gibbs energy; assessment; thermodynamic properties; Debye-Grüneisen model; supercooled liquid
