G. F. Voronin
Faculty of Chemistry, Moscow State University, Vorob’evy gory, Moscow, 119899 Russia
Received December 25, 2002
Abstract—A method for thermodynamically calculating phase diagrams is suggested. The method is based on
directly determining the Gibbs energy of an equilibrium system from the Gibbs energies of its separate phases.
According to the well-known theorem, the Gibbs energy of a system at equilibrium is a convex function of
extensive variables. Such a function is constructed using programs that allow the coordinates of convex hulls
bounding sets of points in space, including multidimensional spaces, to be determined. The coordinates of
phase diagram points are obtained by projecting the Gibbs energy surface points of a system that coincide with
similar surface points of separate phases onto the phase diagram. In contrast to the existing methods, condi-
tional minimization of thermodynamic potentials or solutions to phase equilibrium equations are not used in
the calculations. Examples of implementing the suggested approach are given, and its possibilities in compar-
ison with the other methods for calculating phase diagrams are discussed.
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