Empirical equations for the pressure-composition-temperature (PCT) curve of the Zr2Fe-D2 system were developed using the relation of RgT In(pD2/p0) = ΔHs - T(ΔSs + 2S̄conf). The constant value of -101.8 kJ mol-1 was given for ΔHs regardless of the atomic ratio of D to Zr2Fe, which is denoted as r. The ΔSs + 2S̄conf term was expressed by using the fourth-order polynomial of r. Although a past analytical equation could not be extrapolated to lower pressure, the present empirical equation fitted well a wide range of the PCT data. When Zr2Fe underwent the disproportional reaction, PCT data could not be correlated by the empirical equations.
All Science Journal Classification (ASJC) codes
- Mechanics of Materials
- Mechanical Engineering
- Metals and Alloys
- Materials Chemistry