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V. A. Prostakova, M. O. Lomako, A. L. Voskov, G. V. Belov, I. A. Uspenskaya, I. B. Kutsenok

Development of the Software Package PhDi for the State Diagram Calculations of Binary Systems by Incorporating Modules of the State Equation and Thermodynamic Solution Models


The software package PhDi developed earlier for phase diagram calculations by means of the convex hulls method has been modified by incorporating two additional modules: “equations of state” and “local composition thermodynamic models”. The efficiency of combination of the convex hulls method with cubic equations of state for phase diagram constructing has been shown. A new database containing parameters of thermodynamic models and critical parameters of substances has been added to the initial version of the PhDi package. The main feature of the modified PhDi package consists in simplification of choosing an appropriate equation of state and solution models for an adequate description of phase equilibriums in binary systems.
Moscow University Chemistry Bulletin.
2010, Vol. 51, No. 2, P. 81

Copyright (C) Chemistry Dept., Moscow State University, 2002
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