Computer Model of Phase Complex of Ternary System LiCl-Li2MoO4-Li2WO4
The solution of theoretical and practical problems based on phase equilibria in multicomponent systems is the basis of materials science: the synthesis of metals, alloys, semiconductors and many other substances and mixtures. The first stage in the study of phase diagrams is their calculation by various methods. However, the current state of the theory does not allow us to calculate the phase diagrams accurately and correctly even for binary systems. At the same time, an experimental study of phase equilibria allows Научный отдел А. В. Бурчаков и др. Компьютерная модель фазового комплекса LiCl-Li 2 MoO 4 -Li 2 WO 4 one to obtain the most reliable and complete information about the properties of systems. But this is achieved at the cost of significant material and time spent. As the number of components of the studied systems increases, these costs multiply. Widely used in recent years, the experiment planning methods do not significantly reduce the amount of experimental studies of multicomponent systems. The application of different types of models of phase systems makes it possible to simplify their study. In the present work, a theoretical study of the phase complex of the three-component LiCl-Li2MoO 4-Li2 WO 4 system using 3D modeling in the program-editor KOMPAS-3D is carried out. The construction of points of non-variant equilibrium states, lines of univariant equilibria and surfaces of divariant equilibria in the space of the model from points obtained experimentally in studying the ele- ments of faceting is carried out. The results of the model analysis are isothermal and polythermal sections, the material balance diagram. The model makes it possible to perform a temperature forecast and a sequence of crystallizing phases for a mixture with an arbitrary ratio of the components of the system.