Critical evaluation and thermodynamic modeling of the Fe-V-O (FeO-Fe2O3-VO-V2O3-VO2-V2O5) system

被引:21
作者
Du, Wei-Tong [1 ,2 ]
Jung, In-Ho [2 ]
机构
[1] Chongqing Univ, Dept Mat Sci & Engn, 174 Shazheng St, Chongqing 400044, Peoples R China
[2] Seoul Natl Univ, RIAM, Dept Mat Sci & Engn, 1 Gwanak Ro, Seoul 08826, South Korea
来源
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY | 2019年 / 67卷
基金
新加坡国家研究基金会;
关键词
Fe-V-O system; Thermodynamic modeling; CALPHAD; Phase diagram; Thermodynamic properties; VANADIUM-IRON SPINELS; PHASE-EQUILIBRIA; SOLID-SOLUTIONS; CATION DISTRIBUTION; ELECTRONIC-PROPERTIES; MOSSBAUER-SPECTRA; HEAT-CAPACITY; OXIDATION; OXIDES; OPTIMIZATION;
D O I
10.1016/j.calphad.2019.101682
中图分类号
O414.1 [热力学];
学科分类号
摘要
Critical evaluation and optimization of the Fe-V-O ternary oxide system was carried out based on all the available phase equilibria and thermodynamic property data at 1 atm total pressure. The Fe3O4-FeV2O4 spinel solid solution was described within the framework of Compound Energy Formalism considering the cation distribution between tetrahedral and octahedral sites. The wustite phase, corundum phase, and VO2 solid solution were described using a simple random mixing model. The Modified Quasichemical Model was used to describe liquid oxide solution in consideration of all multivalence states of Fe and V (Fe2+, Fe3+, V2+, V3+, V4+ and V5+). The variation of phase equilibria depending on the oxygen partial pressures and thermodynamic data in the system were well reproduced in the present study.
引用
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页数:13
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