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