Phase relations at 1573 K and 1673 K and thermodynamic assessment of ZrO2-SrO-BaO system

IF 1.9 3区材料科学 Q4 CHEMISTRY, PHYSICAL Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2024-09-28 DOI:10.1016/j.calphad.2024.102754

Qisheng Feng , Mingrui Lv , Chenxi Liu , Guangyao Chen , Pengyue Gao , Chonghe Li

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Abstract

The thermodynamic database of ZrO₂-SrO-BaO system was essential for the development of high-stability refractories. Thirteen samples were prepared using the solid-state reaction method to investigate the isothermal sections of ZrO₂-SrO-BaO system at 1573 K and 1673 K. Four solid solution phases, (Ba, Sr)ZrO₃, (Ba, Sr)₂ZrO₄, (Ba, Sr)₃Zr₂O₇, and (Ba, Sr)₄Zr₃O₁₀, were identified. Based on the re-assessment of SrO-BaO sub-binary system, a self-consistent thermodynamic database of ZrO₂-SrO-BaO system was obtained. Calculated isothermal sections at 1573 K and 1673 K and liquidus projection showed good agreement with existing experimental data. Finally, a potential refractory (Sr_0.06, Ba_0.94)ZrO₃ with better stability was designed using the thermodynamic database of ZrO₂-SrO-BaO system.

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ZrO2-SrO-BaO 系统在 1573 K 和 1673 K 时的相关系及热力学评估

ZrO2-SrO-BaO 系统的热力学数据库对于开发高稳定性耐火材料至关重要。采用固态反应法制备了 13 个样品，研究了 ZrO2-SrO-BaO 系统在 1573 K 和 1673 K 下的等温截面，确定了四种固溶相，即 (Ba，Sr)ZrO3、(Ba，Sr)2ZrO4、(Ba，Sr)3Zr2O7 和 (Ba，Sr)4Zr3O10。在重新评估 SrO-BaO 亚二元体系的基础上，获得了 ZrO2-SrO-BaO 体系的自洽热力学数据库。计算得出的 1573 K 和 1673 K 等温截面以及液相投影与现有实验数据显示出良好的一致性。最后，利用 ZrO2-SrO-BaO 体系的热力学数据库设计出了稳定性更好的潜在难熔（Sr0.06, Ba0.94）ZrO3。

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来源期刊

Calphad-computer Coupling of Phase Diagrams and Thermochemistry 化学-热力学

CiteScore

4.00

自引率

16.70%

发文量

审稿时长

2.5 months

期刊介绍： The design of industrial processes requires reliable thermodynamic data. CALPHAD (Computer Coupling of Phase Diagrams and Thermochemistry) aims to promote computational thermodynamics through development of models to represent thermodynamic properties for various phases which permit prediction of properties of multicomponent systems from those of binary and ternary subsystems, critical assessment of data and their incorporation into self-consistent databases, development of software to optimize and derive thermodynamic parameters and the development and use of databanks for calculations to improve understanding of various industrial and technological processes. This work is disseminated through the CALPHAD journal and its annual conference.