Thermodynamic evaluation and optimization of the K2O-Al2O3-SiO2 system

IF 3.5 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS Journal of the American Ceramic Society Pub Date : 2024-08-22 DOI:10.1111/jace.20093

Jifeng Yang, Lianfeng Yan, Lideng Ye, Guangheng Xiao, Kaige Wang, Yuling Liu, Ligang Zhang, Libin Liu, Yong Du

引用次数: 0

Abstract

The K₂O-Al₂O₃-SiO₂ system is an important component of microcrystalline glass. The K₂O-Al₂O₃ and K₂O-SiO₂ binary systems and the K₂O-Al₂O₃-SiO₂ ternary system were thermodynamically evaluated and optimized using the CALculation of PHAse Diagram (CALPHAD) method. The liquid phase is described by using the ionic two-sublattice model, and the solid solutions involved in the ternary system are all described using the compound energy formalism (CEF) model. The new parameters obtained from the optimization are capable of describing the equilibrium phase relations of the ternary system and its subsystems, and the calculated thermodynamic properties of the ternary compounds are in good agreement with the experimental data.

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K2O-Al2O3-SiO2 系统的热力学评估和优化

K2O-Al2O3-SiO2 系统是微晶玻璃的重要组成部分。利用CALculation of PHAse Diagram（CALPHAD）方法对K2O-Al2O3和K2O-SiO2二元体系以及K2O-Al2O3-SiO2三元体系进行了热力学评估和优化。液相采用离子双亚晶格模型进行描述，三元体系中涉及的固溶体均采用复能形式主义（CEF）模型进行描述。优化得到的新参数能够描述三元体系及其子体系的平衡相关系，计算得到的三元化合物热力学性质与实验数据吻合良好。

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

Journal of the American Ceramic Society 工程技术-材料科学：硅酸盐

CiteScore

7.50

自引率

7.70%

发文量

590

审稿时长

2.1 months

期刊介绍： The Journal of the American Ceramic Society contains records of original research that provide insight into or describe the science of ceramic and glass materials and composites based on ceramics and glasses. These papers include reports on discovery, characterization, and analysis of new inorganic, non-metallic materials; synthesis methods; phase relationships; processing approaches; microstructure-property relationships; and functionalities. Of great interest are works that support understanding founded on fundamental principles using experimental, theoretical, or computational methods or combinations of those approaches. All the published papers must be of enduring value and relevant to the science of ceramics and glasses or composites based on those materials. Papers on fundamental ceramic and glass science are welcome including those in the following areas: Enabling materials for grand challenges[...] Materials design, selection, synthesis and processing methods[...] Characterization of compositions, structures, defects, and properties along with new methods [...] Mechanisms, Theory, Modeling, and Simulation[...] JACerS accepts submissions of full-length Articles reporting original research, in-depth Feature Articles, Reviews of the state-of-the-art with compelling analysis, and Rapid Communications which are short papers with sufficient novelty or impact to justify swift publication.

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