Chengjun Liu , Zhilong Sun , Jiyu Qiu , Guojie Huo , Wenjie Li
{"title":"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","authors":"Chengjun Liu , Zhilong Sun , Jiyu Qiu , Guojie Huo , Wenjie Li","doi":"10.1016/j.calphad.2024.102664","DOIUrl":null,"url":null,"abstract":"<div><p>In the current work, the phase equilibrium of the CaO-Nb<sub>2</sub>O<sub>5</sub>-TiO<sub>2</sub> 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·Nb<sub>2</sub>O<sub>5</sub>+5Nb<sub>2</sub>O<sub>5</sub>·2TiO<sub>2</sub>+Nb<sub>2</sub>O<sub>5</sub>·TiO<sub>2</sub>, CaNb<sub>2</sub>O<sub>6</sub>-Nb<sub>2</sub>O<sub>5</sub>·TiO<sub>2</sub>-TiO<sub>2</sub>, CaO·Nb<sub>2</sub>O<sub>5</sub>+3CaO·Nb<sub>2</sub>O<sub>5</sub>·3TiO<sub>2</sub>+TiO<sub>2</sub>, CaO·TiO<sub>2</sub>+3CaO·Nb<sub>2</sub>O<sub>5</sub>·3TiO<sub>2</sub>+TiO<sub>2</sub>, CaNb<sub>2</sub>O<sub>6</sub>-CaTiO<sub>3</sub>-(Ca,Nb,Ti)O), 3 two-phase fields(CaTiO<sub>3</sub>+TiO<sub>2</sub>, CaTiO<sub>3</sub>+4CaO·Nb<sub>2</sub>O<sub>5</sub>, CaTiO<sub>3</sub>+(Ca,Nb,Ti)O), and 1 single phase field (CaO·TiO<sub>2</sub>). Some equilibrium experiments were also performed in Ar and H<sub>2</sub> atmospheres, with the phase equilibrium results same as that in air atmosphere. Meanwhile, the <em>Gibbs energy</em> data of Ca<sub>4</sub>Ti<sub>3</sub>O<sub>10</sub> and CaTi<sub>2</sub>O<sub>4</sub> 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.</p></div>","PeriodicalId":9436,"journal":{"name":"Calphad-computer Coupling of Phase Diagrams and Thermochemistry","volume":"84 ","pages":"Article 102664"},"PeriodicalIF":1.9000,"publicationDate":"2024-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Measurement of the sub-solidus phase relation of CaO-Nb2O5-TiO2 system at 1300 °C and thermodynamic assessment of G(Ca4Ti3O10) and G(CaTi2O4)\",\"authors\":\"Chengjun Liu , Zhilong Sun , Jiyu Qiu , Guojie Huo , Wenjie Li\",\"doi\":\"10.1016/j.calphad.2024.102664\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>In the current work, the phase equilibrium of the CaO-Nb<sub>2</sub>O<sub>5</sub>-TiO<sub>2</sub> 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·Nb<sub>2</sub>O<sub>5</sub>+5Nb<sub>2</sub>O<sub>5</sub>·2TiO<sub>2</sub>+Nb<sub>2</sub>O<sub>5</sub>·TiO<sub>2</sub>, CaNb<sub>2</sub>O<sub>6</sub>-Nb<sub>2</sub>O<sub>5</sub>·TiO<sub>2</sub>-TiO<sub>2</sub>, CaO·Nb<sub>2</sub>O<sub>5</sub>+3CaO·Nb<sub>2</sub>O<sub>5</sub>·3TiO<sub>2</sub>+TiO<sub>2</sub>, CaO·TiO<sub>2</sub>+3CaO·Nb<sub>2</sub>O<sub>5</sub>·3TiO<sub>2</sub>+TiO<sub>2</sub>, CaNb<sub>2</sub>O<sub>6</sub>-CaTiO<sub>3</sub>-(Ca,Nb,Ti)O), 3 two-phase fields(CaTiO<sub>3</sub>+TiO<sub>2</sub>, CaTiO<sub>3</sub>+4CaO·Nb<sub>2</sub>O<sub>5</sub>, CaTiO<sub>3</sub>+(Ca,Nb,Ti)O), and 1 single phase field (CaO·TiO<sub>2</sub>). Some equilibrium experiments were also performed in Ar and H<sub>2</sub> atmospheres, with the phase equilibrium results same as that in air atmosphere. Meanwhile, the <em>Gibbs energy</em> data of Ca<sub>4</sub>Ti<sub>3</sub>O<sub>10</sub> and CaTi<sub>2</sub>O<sub>4</sub> 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.</p></div>\",\"PeriodicalId\":9436,\"journal\":{\"name\":\"Calphad-computer Coupling of Phase Diagrams and Thermochemistry\",\"volume\":\"84 \",\"pages\":\"Article 102664\"},\"PeriodicalIF\":1.9000,\"publicationDate\":\"2024-02-21\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Calphad-computer Coupling of Phase Diagrams and Thermochemistry\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0364591624000063\",\"RegionNum\":3,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Calphad-computer Coupling of Phase Diagrams and Thermochemistry","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0364591624000063","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Measurement of the sub-solidus phase relation of CaO-Nb2O5-TiO2 system at 1300 °C and thermodynamic assessment of G(Ca4Ti3O10) and G(CaTi2O4)
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.
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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