Development of the PhDi software package for the calculation of phase diagrams of binary systems using parameters of state equations and thermodynamic models for solutions |
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Authors: | V A Prostakova M O Lomako A L Voskov G V Belov I A Uspenskaya I B Kutsenok |
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Institution: | Materials Science International Services GmbH, 800749, 70507 Stuttgart, Germany |
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Abstract: | The PhDi software package developed earlier for calculations of phase equilibria by the convex hull method was modified by
incorporating two additional modules: “State equations” and “Local composition thermodynamic models.” The possibility of the
application of the convex hull method with cubic state equations to construct phase diagrams of binary systems was shown.
A new database containing parameters of the corresponding thermodynamic models has been added to the initial version of the
PhDi package. The efficiency of the performance of the package in solving the problem of choosing an appropriate state equation
to predict conditions of phase equilibria in binary systems was demonstrated. |
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