A thermodynamic assessment of the BaO-MgO, BaO-CaO, BaO-Al2O3 and BaO-SiO2 systems
School of Chemical Technology | D4 Julkaistu kehittämis- tai tutkimusraportti tai -selvitys
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Aalto University publication series SCIENCE + TECHNOLOGY, 4/2014
AbstractLiterature data concerning thermodynamic data for BaO including melting point, heat capacity, enthalpy increment, enthalpy of formation and entropy of formation were reviewed. The phase diagram data of the BaO-MgO, BaO-CaO, BaO-Al2O3 and BaO-SiO2 systems were evaluated and taken into account in the thermodynamic assessment in the present work. Associate model was employed to describe the liquid phase in the BaO-Al2O3 and BaO-SiO2 systems. Four sets of consistent thermodynamic parameters, which can explain most of the experimental data of the BaO-MgO, BaO-CaO, BaO-Al2O3 and BaO-SiO2 systems, were achieved. The calculated phase diagrams of BaO-MgO, BaO-CaO, BaO-Al2O3 and BaO-SiO2 systems were provided. By employing the optimized thermodynamic parameters, mixing of enthalpies of the liquid phase for the four systems and heat capacities for BaAl2O4 and BaAl12O19 were calculated and compared with the literature values.
thermodynamic modeling, associate model, CALPHAD, phase diagram