Thermodynamic Calculation and 3d Modeling of the Liquidus Surface of the YbTe–Sb2Te3– Bi2Te3 System
A. N. Mamedov
Department of Functional Inorganic Materials, Institute of Catalysis and Inorganic Chemistry ANAS, H. Javid ave.113, Baku, Az1143, Azerbaijan
E. R. Tagiev
Department of Functional Inorganic Materials, Institute of Catalysis and Inorganic Chemistry ANAS, H. Javid ave.113, Baku, Az1143, Azerbaijan
L. F. Mashadiyeva
Department of Functional Inorganic Materials, Institute of Catalysis and Inorganic Chemistry ANAS, H. Javid ave.113, Baku, Az1143, Azerbaijan
M. B. Babanly *
Department of Functional Inorganic Materials, Institute of Catalysis and Inorganic Chemistry ANAS, H. Javid ave.113, Baku, Az1143, Azerbaijan
*Author to whom correspondence should be addressed.
Abstract
The calculation and 3D modeling of the partial Gibbs free energy and YbTe liquidus, as well as the crystallization surface of solid solutions based on (Sb2Te3)y(Bi2Te3)1-y in the ternary YbTe-Sb2Te3-Bi2Te3 system were carried out by using the equations of thermodynamics of non-molecular compounds. The equations were solved on the basis of limited number of experimental points on the phase diagram and published data of boundary systems. The surfaces of the crystallization and partial excess Gibbs energy of YbTe were 3D modeled for high-temperature region (1000 - 2000 K) in the concentrations range 0.22 - 1.0 mole fraction of YbTe on sections y == 0-1. The calculation and modeling of Gibbs energy and crystallization surfaces was performed by the program OriginLab2015 and Grafikus.ru/plot3d.
Keywords: Thermodynamic calculation, 3D modelling, liquidus surface, YbTe-Sb2Te3-Bi2Te3 system