Phase equilibria of binary Ag–Se and ternary Ag–Pb–Se systems

IF 1.9 3区 材料科学 Q4 CHEMISTRY, PHYSICAL Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2024-06-14 DOI:10.1016/j.calphad.2024.102709
Yohanes Hutabalian , Sinn-wen Chen , Wojciech Gierlotka
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Abstract

Ag–Se and Ag–Pb–Se are important material systems for thermoelectric applications, yet their phase equilibria and thermodynamic descriptions have not been studied extensively. This study experimentally determines the phase equilibria of isothermal sections at 550°C and 400°C. No ternary compound is found, and the third element's solubility in the binary compounds is negligible. The Ag–Se binary system is thermodynamically modeled using the Calphad method. Based on the experimental results in this work and those from the literature review. This study proposes the thermodynamic descriptions of the Ag–Pb–Se ternary system using the Calphad method for the first time. The isothermal sections, isopleth sections, and liquidus projection were calculated and compared with the experimental data, showing good agreement between the experimental results and thermodynamic calculation.

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二元银-锡和三元银-铅-锡体系的相平衡
银-硒和银-铅-硒是热电应用的重要材料系统,但对它们的相平衡和热力学描述还没有进行广泛的研究。本研究通过实验确定了 550°C 和 400°C 等温段的相平衡。没有发现三元化合物,第三种元素在二元化合物中的溶解度可以忽略不计。使用 Calphad 方法对 Ag-Se 二元体系进行了热力学建模。根据本研究的实验结果和文献综述。本研究首次使用 Calphad 方法提出了 Ag-Pb-Se 三元体系的热力学描述。计算了等温截面、等压截面和液相投影,并与实验数据进行了比较,结果表明实验结果与热力学计算结果具有良好的一致性。
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来源期刊
CiteScore
4.00
自引率
16.70%
发文量
94
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.
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