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

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 sta...

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Bibliographic Details
Published in:Moscow University chemistry bulletin 2010-04, Vol.65 (2), p.62-69
Main Authors: Prostakova, V. A., Lomako, M. O., Voskov, A. L., Belov, G. V., Uspenskaya, I. A., Kutsenok, I. B.
Format: Article
Language:English
Subjects:
Chemistry
Chemistry and Materials Science
Chemistry/Food Science
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Summary: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.
ISSN:0027-1314
1935-0260
DOI:10.3103/S0027131410020021