Thermodynamic modeling of the MBr-BaBr2 (M=Alkali metals) systems

摘要: Abstract The complete thermodynamic optimizations of MBr-BaBr2 (M = Li, Na, K, Rb, Cs) systems were performed based on principles using CALPHAD approach. In this work, the existence BaBr2-based solid solubility was firstly evaluated according to corresponding liquid curves in available literature by limiting liquidus slope equation and ideal curve. enthalpy mixing for LiBr–BaBr2 binary system calculated via empirical prediction method. Gibbs energy molten mixtures modeled substitutional solution model (SSM) associate (ASM), while that double salts processed into stoichiometric compounds Neumann-Kopp technique. database with a series properties phase equilibria data investigated successfully established optimizing parameters. simulated results could provide theoretical guidance technical support, as well applying design multi-components eutectic materials combination alkali metal bromide systems.