On the calculation of multicomponent stable phase diagrams


In a thermodynamic system, a stable phase diagram is uniquely determined by the thermodynamic parameters of each phase. A generalized phase equilibria calculation software package should enable the calculation of the phase diagram from the parameters automatically, without requiring either prior knowledge of the diagram or special user skills. Improvements to the existing software packages have been achieved in the new software package PANDAT. The approach used in this software is described briefly and some examples of its advantages are given.

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Chen, S.L., Daniel, S., Zhang, F. et al. On the calculation of multicomponent stable phase diagrams. JPE 22, 373–378 (2001). https://doi.org/10.1361/105497101770332910

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  • Phase Diagram
  • Phase Equilibrium
  • Calculated Phase Diagram
  • Phase Diagram Calculation
  • Gibbs Energy Function