Modeling of thermodynamic properties of ABr–PrBr3 (A=Li–Cs ) systems

The thermodynamic properties of ABr–PrBr3(A=Li–Cs) systems were assessed by the CALPHAD method. The liquid phase in the systems was described by the non-stoichiometric associate model. The entropies of mixing in the liquid were evaluated from experimental liquidus and enthalpy of mixing data. For the pseudobinary compounds A3PrBr6,APr2Br7, and A2PrBr5 (A=K,Rb) and Cs3PrBr6 and CsPr2Br7, the dependences of Gibbs energies of formation on temperature were calculated. The anomalies of sequences of thermodynamic properties in RbBr–PrBr3 were observed and discussed. The nature of the liquid phase and precision of calculations of the Rb2PrBr5(s) compound were discussed.

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► The calculations by the non-stoichiometric associate model were done.
► The main result of calculations are the dependences of entropies of mixing on the mole fraction.
► The dependences of Gibbs energies of formation of solid phases from constituent salts were calculated.