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.
|Number of pages||9|
|Journal||Calphad: Computer Coupling of Phase Diagrams and Thermochemistry|
|Publication status||Published - 2014 Dec|
- Equation of state
- Phase diagram