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首页> 外文期刊>Journal of the European Ceramic Society >Critical evaluation and thermodynamic modeling of the Al-Mn-O (Al_2O_3-MnO-Mn_2O_3) system
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Critical evaluation and thermodynamic modeling of the Al-Mn-O (Al_2O_3-MnO-Mn_2O_3) system

机译:Al-Mn-O(Al_2O_3-MnO-Mn_2O_3)系统的临界评估和热力学建模

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摘要

In the present study, a complete thermodynamic description of the Mn-Al-O (MnO-Mn_2O_3-Al_2O_3) system has been carried out. All the experimental phase diagram data from metal saturation to 1 atm oxygen partial pressure, thermodynamic data for spinel and liquid phases and structural data for spinel were critically evaluated and optimized in order to obtain Gibbs energies of all phases as functions of temperature and composition. The MnAl_2O_4-Mn_3O_4 spinel solution was modeled using the Compound Energy Formalism considering the cation distribution between tetrahedral and octahedral sites. The slag phase was described using the Modified Quasichcmical Model considering both, the Mn~(2+) and Mn~(3+) species.
机译:在本研究中,已经完成了对Mn-Al-O(MnO-Mn_2O_3-Al_2O_3)系统的完整热力学描述。严格评估和优化了从金属饱和到1atm氧分压的所有实验相图数据,尖晶石和液相的热力学数据以及尖晶石的结构数据,以便获得所有相随温度和成分变化的吉布斯能量。考虑到四面体和八面体位点之间的阳离子分布,使用复合能量形式主义对MnAl_2O_4-Mn_3O_4尖晶石溶液进行建模。使用改进的准合金模型描述了炉渣相,同时考虑了Mn〜(2+)和Mn〜(3+)物种。

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