Some Precious Metal System Containing Pt And Ag Phase Diagram Of Thermodynamic Calculation

The precious metals, Pt, Ag and their alloys, have been widely used as catalysts in modern industry. Establishment of the thermodynamic database of Pt and/or Ag alloys is very important to improve the catalyzing capability of related system. In this work, thermodynamic assessments of Pt-Ga-Ge and Ag-Ga-Ge ternary systems were performed by combining First-Principles with CALPHAD.1. Formation enthalpies of compounds including stable and hypothetical phases in Pt-Ga-Ge system were calculated by First-Principles method.2. On the basis of the results from First-Principles calculation, the Pt-Ge and Pt-Ga binary system was optimized. Combined with the reassessed parameters of the Ga-Ge binary system in this work, the Pt-Ga-Ge ternary system was extrapolated. The liquid project and several isothermal sections were calculated3. The Ag-Ga and Ag-Ge binary systems were reassessed. Combined with the optimized parameters of the Ga-Ge binary system in this work, the Ag-Ga-Ge ternary system was extrapolated. The liquid project and several isothermal sections were calculated.