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Thermodynamic modeling of the K2O-Al2O3 and K2O-MgO-Al2O3 systems with emphasis on β- and βʹʹ-aluminas
Journal of the European Ceramic Society ( IF 5.7 ) Pub Date : 2018-03-02 , DOI: 10.1016/j.jeurceramsoc.2018.02.030
Dong-Geun Kim , Elmira Moosavi-Khoonsari , In-Ho Jung

A critical evaluation and thermodynamic modeling study including key phase diagram experiments was performed to investigate the K2O-Al2O3 and K2O-MgO-Al2O3 systems. For the first time, potassium β- and βʹʹ-alumina solid solutions were described using the Compound Energy Formalism with accurate cation distributions in their sublattices. From the new experimental results, the stability of potassium βʹʹ-alumina was assured up to 1600 °C. A large discrepancy reported in the literature, the eutectic temperature between KAlO2 and β-alumina in the K2O-Al2O3 system, was resolved. A set of self-consistent Gibbs energy functions for all stable phases in the K2O-MgO-Al2O3 system was obtained. As a result, any phase diagram sections and thermodynamic properties of the K2O-MgO-Al2O3 system can be calculated from the optimized Gibbs energy functions. In particular, the cation distribution in the β- and βʹʹ-alumina solid solutions is calculated depending on the non-stoichiometry of solution and temperature.



中文翻译:

K 2 O-Al 2 O 3和K 2 O-MgO-Al 2 O 3体系的热力学建模,重点是β-和βʹʹ-氧化铝

进行了包括关键相图实验在内的关键评估和热力学建模研究,以研究K 2 O-Al 2 O 3和K 2 O-MgO-Al 2 O 3系统。首次使用复合能量形式主义描述了β-和βʹʹ-氧化铝钾固溶体在其亚晶格中具有准确的阳离子分布。根据新的实验结果,可以确保βʹʹ-氧化铝钾在高达1600°C的温度下具有稳定性。文献报道存在很大差异,即K 2 O-Al 2 O 3中的KAlO 2和β-氧化铝之间的共晶温度系统,已解决。对于K 2 O-MgO-Al 2 O 3系统中的所有稳定相,获得了一组自洽的吉布斯能量函数。结果,可以从优化的吉布斯能量函数计算出K 2 O-MgO-Al 2 O 3系统的任何相图截面和热力学性质。特别地,根据溶液的非化学计量和温度来计算β-和β4-氧化铝固溶体中的阳离子分布。

更新日期:2018-03-02
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