Application and evaluation of thermodynamic modeling on phase equilibria of the CaO–MgO–SiO2–Al2O3–TiO2 system

IF 1.9 3区材料科学 Q4 CHEMISTRY, PHYSICAL

Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2025-09-12 DOI:10.1016/j.calphad.2025.102880

Xiaoshu Wang , Ning Wang , Fupeng Liu , Jinfa Liao , Baojun Zhao

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引用次数: 0

Abstract

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.

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CaO-MgO-SiO2-Al2O3-TiO2体系相平衡热力学模型的应用与评价

钒钛磁铁矿（VTM）是一种具有重要工业价值的多金属矿石，是通过高炉等高温工艺生产铁和钒的主要来源。熔炼过程中，VTM残余组分与助熔剂结合形成CaO-MgO-Al2O3-SiO2-TiO2渣体系。渣液温度的准确测定对工业应用中工艺参数的优化至关重要。本研究采用热力学模型（FactSage）和实验验证来研究这些特性。实验方法包括高温平衡、快速淬火和使用电子探针x射线微分析（EPMA）进行相组成分析。结果为FactSage关于渣系中液相温度和固溶体形成的预测提供了关键的验证。这些发现为研究人员和高炉操作员有效地利用FactSage进行运行条件下的炉渣特性模拟提供了实用指导。此外，研究还验证了伪二元相图在渣成分优化中的应用。

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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.