Thermodynamic assessment of CaO-Al2O3-SiO2-Ce2O3 subsystems

IF 1.9 3区材料科学 Q4 CHEMISTRY, PHYSICAL

Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2025-09-23 DOI:10.1016/j.calphad.2025.102884

Haoran Wang , Fengqi Zhou , Tongsheng Zhang , Yusheng Hu , Jian Yang , Zushu Li

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引用次数: 0

Abstract

To guide the production of rare earth steels and optimization of recycling processes for rare earth solid wastes, the thermodynamic properties of related rare earth oxides containing systems need to be understood. However, only limited thermodynamic data are currently available for such slag systems. Based on the existing experimental data as well as thermodynamic data, thermodynamic descriptions of CaO-SiO₂-Ce₂O₃, CaO-Al₂O₃-Ce₂O₃, Al₂O₃-SiO₂-Ce₂O₃ ternary system and Ce₂O₃-SiO₂ binary system were constructed in current work. The Gibbs energy of liquid slag was modeled by using the Modified Quasichemical Model, and the excess Gibbs energy of solid phases were described with polynomial expansions. The optimized phase diagrams are in good agreement with the experimental data in previous researches.

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CaO-Al2O3-SiO2-Ce2O3子系统热力学评价

为了指导稀土钢的生产和稀土固体废物回收工艺的优化，需要了解相关稀土氧化物体系的热力学性质。然而，只有有限的热力学数据，目前可用于这种渣系统。本文基于已有的实验数据和热力学数据，构建了CaO-SiO2-Ce2O3、CaO-Al2O3-Ce2O3、Al2O3-SiO2-Ce2O3三元体系和Ce2O3-SiO2二元体系的热力学描述。采用修正准化学模型对渣液的吉布斯能进行建模，对固相的吉布斯能进行多项式展开。优化后的相图与前人的实验数据吻合较好。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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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.