Thermodynamic modeling of the Mn–Si–O system

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2024年12月27日

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D. A. de Abreu,
O. Fabrichnaya

摘要

In this study, the thermodynamic parameters of the Mn–Si–O system were re-evaluated using the CALPHAD approach. Available experimental data on phase equilibria were taken into account and thermodynamic properties such as heat capacity, standard entropy and standard enthalpy were reproduced within uncertainties. Three ternary compounds are found to be stable in the Mn–Si–O system: rhodonite (MnSiO $_3$ $_{3}$ ), braunite (Mn $_7$ $_{7}$ SiO $_{12}$ $_{12}$ ) and tephroite (Mn $_2$ $_{2}$ SiO $_4$ $_{4}$ ). Braunite was modeled by CEF, while tephroite and rhodonite were modeled as stoichiometric compounds. Two-sublattice partially ionic liquid model was used to describe the liquid phase. The braunite phase exhibits a homogeneity range and can dissolve Mn $_2$ $_{2}$ O $_3$ $_{3}$ in some extension. Phase diagrams for the MnO–SiO $_2$ $_{2}$ system in the presence of metallic Mn and the MnO $_x$ $_{x}$ –SiO $_2$ $_{2}$ system in air were calculated and showed good agreement with existing literature data. The thermodynamic parameters were evaluated to describe the experimental data over the entire compositional range of the system.