Critical evaluation and thermodynamic modeling of the Fe–V–O (FeO–Fe2O3–VO–V2O3–VO2–V2O5) system. (December 2019)

• Record Type: Journal Article
• Authors: Du, Wei-Tong; Jung, In-Ho
• Is Part Of: Calphad. Volume 67(2019)
• Publication Date: 2019-12
• Subjects: Fe-V-O system -- Thermodynamic modeling -- CALPHAD -- Phase diagram -- Thermodynamic properties; Phase diagrams -- Data processing -- Periodicals; Thermochemistry -- Data processing -- Periodicals; Diagrammes de phases -- Informatique -- Périodiques; Thermochimie -- Informatique -- Périodiques; Thermodynamica; Electronic journals; 541.363
• DOI: 10.1016/j.calphad.2019.101682
• Languages: English
• ISSNs: 0364-5916

Abstract

Abstract: 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 Fe3 O4 –FeV2 O4 spinel solid solution was described within the framework of Compound Energy Formalism considering the cation distribution between tetrahedral and octahedral sites. The wüstite 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 (Fe 2+, Fe 3+, V 2+, V 3+, V 4+ and V 5+ ). The variation of phase equilibria depending on the oxygen partial pressures and thermodynamic data in the system were well reproduced in the present study.