Assessment of the temperature and pressure dependence of molar volume and phase diagrams of Cu and Zn

作者：Liu Xuantong^*; Oikawa Katsunari

来源：Calphad: Computer Coupling of Phase Diagrams and Thermochemistry , 2014, 47: 114-122.

DOI：10.1016/j.calphad.2014.07.003

• Thermodynamic
• Equation of state
• Temperature
• Pressure
• Phase diagram

This study reports the thermodynamic assessment of the temperature and pressure dependence of molar volume of Cu and Zn, as well as their P-T phase diagrams based on the CALPHAD approach. The molar volume of fcc-Cu, hcp-Zn, and liquid phases as a function of both temperature and pressure was directly assessed from the data reported in the literature by implementing the CALPHAD-compatible equation of state (EOS). This EOS incorporates the quasi-harmonic model to eliminate the spurious predictions of negative heat capacity and thermal expansion at high pressure. Furthermore, the P-T phase diagram of each element was determined on the basis of the experimental results and calculated parameters. The experimentally estimated thermodynamic values are in good agreement with the calculated results.

• 出版日期2014-12