Calculation of phase equilibria and construction of phase diagrams by convex hull method
- 1 January 2013
- journal article
- Published by Allerton Press in Moscow University Chemistry Bulletin
- Vol. 68 (1), 1-8
- https://doi.org/10.3103/s0027131413010112
Abstract
Recent findings for a new method developed to calculate phase equilibria are reviewed and analyzed. This method is based on the construction of the convex hulls for characteristic functions in heterogeneous systems. The theoretical basis of this method, as well as the possibilities and features of its practical application in scientific research and teaching chemical thermodynamics, is considered. Software packages developed at the Department of Chemistry of Moscow State University are briefly described.Keywords
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