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G. F. Voronin, A. L. Voskov
The calculation of phase equilibria and
construction of diagrams by convex hull method
Abstract
The work is devoted to the review and
analysis of the few past years’ results of the new method developed for the
phase equilibria calculation. The method is based on the construction of convex
hulls of characteristic functions in heterogeneous systems. Theoretical basis
of the method, its possibilities and features of its practical application in
scientific research and teaching chemical thermodynamics have been considered.
Software complexes developed on the Department of Chemistry of Lomonosov Moscow State University have been briefly presented.
Key words: Chemical thermodynamics,
calculation of phase equilibria, convex hull, phase diagrams.
Copyright (C) Chemistry Dept., Moscow State University, 2002
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