Measurement of the sub-solidus phase relation of CaO-Nb2O5-TiO2 system at 1300 °C and thermodynamic assessment of G(Ca4Ti3O10) and G(CaTi2O4)

IF 1.9 3区材料科学 Q4 CHEMISTRY, PHYSICAL Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2024-02-21 DOI:10.1016/j.calphad.2024.102664

Chengjun Liu , Zhilong Sun , Jiyu Qiu , Guojie Huo , Wenjie Li

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Abstract

In the current work, the phase equilibrium of the CaO-Nb₂O₅-TiO₂ system in different atmospheres was investigated through high-temperature experiments. In air atmosphere, a total of 9 phase fields were determined: 5 three-phase fields(CaO·Nb₂O₅+5Nb₂O₅·2TiO₂+Nb₂O₅·TiO₂, CaNb₂O₆-Nb₂O₅·TiO₂-TiO₂, CaO·Nb₂O₅+3CaO·Nb₂O₅·3TiO₂+TiO₂, CaO·TiO₂+3CaO·Nb₂O₅·3TiO₂+TiO₂, CaNb₂O₆-CaTiO₃-(Ca,Nb,Ti)O), 3 two-phase fields(CaTiO₃+TiO₂, CaTiO₃+4CaO·Nb₂O₅, CaTiO₃+(Ca,Nb,Ti)O), and 1 single phase field (CaO·TiO₂). Some equilibrium experiments were also performed in Ar and H₂ atmospheres, with the phase equilibrium results same as that in air atmosphere. Meanwhile, the Gibbs energy data of Ca₄Ti₃O₁₀ and CaTi₂O₄ were calculated according to the CALPHAD principle. On this basis, the influence of oxygen partial pressure on the phase equilibrium of Ti/Nb containing oxide system was discussed. The research results of this paper are of theoretical significance for the development of the thermodynamic database of Ca-Nb-Ti-O slag system.

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1300 °C 下 CaO-Nb2O5-TiO2 体系的亚固相关系测量以及 G(Ca4Ti3O10) 和 G(CaTi2O4) 的热力学评估

本研究通过高温实验研究了 CaO-Nb2O5-TiO2 体系在不同气氛中的相平衡。在空气气氛中，共测定了 9 个相场：5 个三相场（CaO-Nb2O5+5Nb2O5-2TiO2+Nb2O5-TiO2、CaNb2O6-Nb2O5-TiO2-TiO2、CaO-Nb2O5+3CaO-Nb2O5-3TiO2+TiO2、CaO-TiO2+3CaO-Nb2O5-3TiO2+TiO2、CaNb2O6-CaO-Nb2O5-TiO2-TiO2、CaNb2O6-CaO-Nb2O5-TiO2-TiO2）、CaNb2O6-CaTiO3-（Ca,Nb,Ti）O）、3 个两相场（CaTiO3+TiO2、CaTiO3+4CaO-Nb2O5、CaTiO3+（Ca,Nb,Ti）O）和 1 个单相场（CaO-TiO2）。在 Ar 和 H2 大气中也进行了一些平衡实验，相平衡结果与空气中的相平衡结果相同。同时，根据 CALPHAD 原理计算了 Ca4Ti3O10 和 CaTi2O4 的吉布斯能数据。在此基础上，讨论了氧分压对含 Ti/Nb 氧化物体系相平衡的影响。本文的研究成果对于建立 Ca-Nb-Ti-O 渣体系的热力学数据库具有重要的理论意义。

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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.