Xiaoshu Wang , Ning Wang , Fupeng Liu , Jinfa Liao , Baojun Zhao
{"title":"CaO-MgO-SiO2-Al2O3-TiO2体系相平衡热力学模型的应用与评价","authors":"Xiaoshu Wang , Ning Wang , Fupeng Liu , Jinfa Liao , Baojun Zhao","doi":"10.1016/j.calphad.2025.102880","DOIUrl":null,"url":null,"abstract":"<div><div>Vanadium titanomagnetite (VTM) is a polymetallic ore of significant industrial value, serving as a primary source for iron and vanadium production through high-temperature processes like blast furnace operations. During smelting, the residual components from VTM and flux combine to form CaO-MgO-Al<sub>2</sub>O<sub>3</sub>-SiO<sub>2</sub>-TiO<sub>2</sub> slag systems. Accurate determination of slag liquidus temperatures is crucial for optimizing process parameters in industrial applications. This study employs thermodynamic modeling (FactSage) alongside experimental validation to investigate these properties. The experimental approach involves high-temperature equilibration, rapid quenching, and phase composition analysis using electron probe X-ray microanalysis (EPMA). The results provide critical validation of FactSage predictions regarding liquidus temperatures and solid solution formations in the slag system. These findings offer practical guidance for researchers and blast furnace operators in effectively utilizing FactSage for slag property simulations under operational conditions. Furthermore, the study demonstrates the application of pseudo-binary phase diagrams for slag composition optimization.</div></div>","PeriodicalId":9436,"journal":{"name":"Calphad-computer Coupling of Phase Diagrams and Thermochemistry","volume":"91 ","pages":"Article 102880"},"PeriodicalIF":1.9000,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Application and evaluation of thermodynamic modeling on phase equilibria of the CaO–MgO–SiO2–Al2O3–TiO2 system\",\"authors\":\"Xiaoshu Wang , Ning Wang , Fupeng Liu , Jinfa Liao , Baojun Zhao\",\"doi\":\"10.1016/j.calphad.2025.102880\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Vanadium titanomagnetite (VTM) is a polymetallic ore of significant industrial value, serving as a primary source for iron and vanadium production through high-temperature processes like blast furnace operations. During smelting, the residual components from VTM and flux combine to form CaO-MgO-Al<sub>2</sub>O<sub>3</sub>-SiO<sub>2</sub>-TiO<sub>2</sub> slag systems. Accurate determination of slag liquidus temperatures is crucial for optimizing process parameters in industrial applications. This study employs thermodynamic modeling (FactSage) alongside experimental validation to investigate these properties. The experimental approach involves high-temperature equilibration, rapid quenching, and phase composition analysis using electron probe X-ray microanalysis (EPMA). The results provide critical validation of FactSage predictions regarding liquidus temperatures and solid solution formations in the slag system. These findings offer practical guidance for researchers and blast furnace operators in effectively utilizing FactSage for slag property simulations under operational conditions. Furthermore, the study demonstrates the application of pseudo-binary phase diagrams for slag composition optimization.</div></div>\",\"PeriodicalId\":9436,\"journal\":{\"name\":\"Calphad-computer Coupling of Phase Diagrams and Thermochemistry\",\"volume\":\"91 \",\"pages\":\"Article 102880\"},\"PeriodicalIF\":1.9000,\"publicationDate\":\"2025-09-12\",\"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/S0364591625000835\",\"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/S0364591625000835","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}
Application and evaluation of thermodynamic modeling on phase equilibria of the CaO–MgO–SiO2–Al2O3–TiO2 system
Vanadium titanomagnetite (VTM) is a polymetallic ore of significant industrial value, serving as a primary source for iron and vanadium production through high-temperature processes like blast furnace operations. During smelting, the residual components from VTM and flux combine to form CaO-MgO-Al2O3-SiO2-TiO2 slag systems. Accurate determination of slag liquidus temperatures is crucial for optimizing process parameters in industrial applications. This study employs thermodynamic modeling (FactSage) alongside experimental validation to investigate these properties. The experimental approach involves high-temperature equilibration, rapid quenching, and phase composition analysis using electron probe X-ray microanalysis (EPMA). The results provide critical validation of FactSage predictions regarding liquidus temperatures and solid solution formations in the slag system. These findings offer practical guidance for researchers and blast furnace operators in effectively utilizing FactSage for slag property simulations under operational conditions. Furthermore, the study demonstrates the application of pseudo-binary phase diagrams for slag composition optimization.
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.