Abstract

Thermodynamic optimization of phase diagrams and thermodynamic properties of the FeO–Fe₂O₃–MnO–Mn₂O₃–TiO₂–Ti₂O₃ system at 1 atm pressure was performed based on the literature data and new phase diagram data in this study. Isothermal phase diagrams of the system at 1250–1600 °C in air atmosphere were experimentally determined for the first time using the equilibration and quenching method. The liquid phase and complex solid solutions like pseudobrookite, ilmenite and spinel were described using the Modified Quasichemical Model and Compound Energy Formalism, respectively. A set of optimized model parameters of all phases was obtained which reproduces all reliable thermodynamic data and phase equilibria within 3 mol% in composition and ± 25 °C in temperature. The present thermodynamic results can help the prediction of complex thermodynamic data and phase equilibria of the Fe–Mn–Ti–O system at 1 atm total pressure from 25 °C to above the liquidus temperatures over the entire range of composition and \(p_{{O_{2} }}\) from metallic saturation to 1 atm.

Graphic abstract

中文翻译：

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Fe-Mn-Ti-O系统的耦合实验研究和热力学建模

摘要

FeO–Fe ₂ O ₃ –MnO–Mn ₂ O ₃ –TiO ₂ –Ti ₂ O ₃相图的热力学优化和热力学性质在这项研究中，基于文献数据和新的相图数据，在1 atm压力下进行了系统分析。使用平衡和淬灭方法首次通过实验确定了系统在空气中1250–1600°C的等温相图。分别使用改进的拟化学模型和复合能量形式主义描述了液相和复杂的固溶体，如假板钛矿，钛铁矿和尖晶石。获得了所有相的一组优化模型参数，这些参数重现了所有可靠的热力学数据和相平衡，其组成范围为3 mol％，温度范围为±25°C。\（p _ {{O_ {2}}} \）从金属饱和度到1个大气压。

图形摘要