SANTOS, I.A. dosKLIMM, D.RANIERI, I.M.2014-11-172014-11-182015-04-012014-11-172014-11-182015-04-01SANTOS, I.A. dos; KLIMM, D.; RANIERI, I.M. Simulação computacional e propriedades termodinâmicas no sistema LiF-YF3. In: ENCONTRO DA SOCIEDADE BRASILEIRA DE CRESCIMENTO DE CRISTAIS, 8., 8-10 de setembro, 2010, Sao Carlos, SP. <b>Anais...</b> Disponível em: http://repositorio.ipen.br/handle/123456789/16028.http://repositorio.ipen.br/handle/123456789/16028Equilibrium phase diagram and thermodynamic properties of the LiF-YF3 binary system were studied. The experimental phase diagram of this system is well known, nevertheless, the thermodynamic properties of the formed intermediate compound LiYF4 (YLF) have not been investigated. In this work, the LiF-YF3 binary phase diagram was optimized by fitting of the Gibbs energy function taking into account the known experimental data. The Gibbs energy functions for the end member compounds were taken from the literature. The excess Gibbs energy terms in the liquid phase, which describe the effects of interaction between the two fluoride compounds, were expressed by the Redlich–Kister polynomial function. Phase equilibrium data in the LiF-YF3 system were obtained by differential thermal analysis (DTA) and compared to data from the literature. The heat capacity (Cp) as function of temperature, enthalpy of formation and entropy at 298.15 K were assessed for the YLF compound.openAccessequilibriumphase diagramscomputerized simulationthermodynamicsrare earthslithium fluoridesyttrium fluoridesTexto completo de evento