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Moscow University Chemistry Bulletin Vol. 54, No. 1, P. 3 (2013)
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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.
Moscow University Chemistry Bulletin.
2013, Vol. 54, No. 1, P. 3
   

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