Modeling of Phase Equilibria in the La2O3–SrO–ZrO2 System Using the NUCLEA Database

IF 1.8 3区 化学 Q3 CHEMISTRY, INORGANIC & NUCLEAR
V. A. Vorozhtcov, V. I. Almjashev, V. L. Stolyarova
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引用次数: 0

Abstract

The goal of this work was to study phase equilibria in the La2O3–SrO–ZrO2 system, which is a promising base for high-temperature ceramics and materials with unique optical, electrochemical, and catalytic properties. Thermodynamic modeling of phase equilibria in this system was carried out using the NUCLEA database and GEMINI2 (Gibbs Energy Minimizer) software. One polythermal and thirteen isothermal sections of the La2O3–SrO–ZrO2 phase diagram were calculated in the temperature range 600–3023 K. The obtained data on La2O3–SrO–ZrO2 phase equilibria were discussed with reference to information available on the corresponding binary systems. The modeled phase relations in the ternary system under study correlate completely with the phases existing in the corresponding binary systems. The temperature evolution of the phase relations and boundaries of single-phase, two-phase, and three-phase areas in the system were considered. Four ternary eutectic points were identified at 2039, 2105, 2120, and 2351 K.

Abstract Image

利用 NUCLEA 数据库建立 La2O3-SrO-ZrO2 系统中的相平衡模型
摘要 这项工作的目的是研究 La2O3-SrO-ZrO2 体系中的相平衡,该体系是具有独特光学、电化学和催化特性的高温陶瓷和材料的良好基础。利用 NUCLEA 数据库和 GEMINI2(吉布斯能量最小化)软件对该体系中的相平衡进行了热力学建模。在 600-3023 K 的温度范围内,计算了 La2O3-SrO-ZrO2 相图的一个多热段和 13 个等温段。所研究的三元体系中的模型相关系与相应二元体系中存在的相完全相关。研究考虑了体系中单相、两相和三相区域的相关系和边界的温度演变。在 2039K、2105K、2120K 和 2351K 四个温度点确定了三元共晶。
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来源期刊
Russian Journal of Inorganic Chemistry
Russian Journal of Inorganic Chemistry 化学-无机化学与核化学
CiteScore
3.10
自引率
38.10%
发文量
237
审稿时长
3 months
期刊介绍: Russian Journal of Inorganic Chemistry is a monthly periodical that covers the following topics of research: the synthesis and properties of inorganic compounds, coordination compounds, physicochemical analysis of inorganic systems, theoretical inorganic chemistry, physical methods of investigation, chemistry of solutions, inorganic materials, and nanomaterials.
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