作者：Lideng Ye; Chenbo Li; Jifeng Yang; Guangcheng Xiao; Ligang Zhang; Yun Jiang; Libin Liu; Patrick J. Masset

作者单位：School of Materials Science and Engineering, Central South University, Changsha 410083, China;NMPA Key Laboratory for Pharmaceutical Excipients Engineering Technology Research, Hunan Institute for Drug Control, Changsha 410001, China;Lukasiewicz Research Network – Krakow Institute of Technology, ul. Zakopiańska 73, 30-418 Kraków, Poland

刊名：Ceramics International

ISSN：0272-8842

出版年：2024-10-10

卷：50

期：21

起页：41349-41363

止页：

分类号：

语种：中文

关键词：CALPHAD;Al2O3–CaO–TiO2 system;Phase diagram;Thermodynamic modeling

内容简介

Knowledge about the thermodynamic equilibria of the Al2O3–TiO2–CaO system is important for the design of refractory and ceramic materials. The Al2O3–TiO2, Al2O3–CaO and CaO–TiO2 binary systems were reoptimized and the Al2O3–TiO2–CaO ternary system was assessed by CALPHAD (CAlculation of PHAse Diagram) approach due to the reliability of phase diagram and thermodynamic property data. The liquid phase was described by the ionic two-sublattice model with the formula (Al⁺³,Ti⁺²,Ti⁺³,Ca⁺²)P(O⁻²,AlO1.5,Va,O,TiO2)Q. A set of self-consistent thermodynamic parameters for the Al2O3–TiO2–CaO ternary system was finally obtained, reproducing well the phase diagram and thermodynamic properties, predicting the Ca4Ti3O10 primary crystallization field. The present thermodynamic description is of interest for the design of refractory and ceramic materials as well as the development of thermodynamic databases for multicomponent aluminosilicate system.