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Thermodynamic Assessment of CaO-Al2O3-Fe2O3 System
Wenqing Zhao1, Lideng Ye1, Junfeng Wu1
1School of Materials Science and Engineering, Central South University, Changsha 410083, China.
Materials (Basel, Switzerland)
|July 28, 2026
Summary
This study provides a thermodynamic assessment of the CaO-Al2O3-Fe2O3 system using the CALPHAD method. The results offer a robust foundation for developing advanced refractory materials.
Area of Science:
- Materials Science
- Thermodynamics
- Chemical Engineering
Background:
- The CaO-Al2O3-Fe2O3 system is crucial in industries like cement production, iron ore sintering, metallurgical slags, and refractory materials.
- Accurate thermodynamic data is essential for optimizing processes and material properties within these applications.
Purpose of the Study:
- To conduct a comprehensive thermodynamic assessment of the CaO-Fe2O3 and CaO-Al2O3-Fe2O3 systems.
- To develop a reliable thermodynamic database for these systems using the CALPHAD methodology.
- To provide a foundation for the design and optimization of refractory materials.
Main Methods:
- Utilized the CALculation of PHAse Diagrams (CALPHAD) method for thermodynamic assessment.
- Modeled the liquid phase using the ionic two-sublattice model: (Ca+2, Al+3, Fe+2)P (O-2, AlO1.5, FeO1.5, Va, O)Q.
- Employed the Compound Energy Formalism (CEF) to describe compounds and solid solutions.
Main Results:
- Achieved a self-consistent thermodynamic description of the CaO-Fe2O3 and CaO-Al2O3-Fe2O3 systems.
- Successfully reproduced existing phase equilibrium and thermodynamic data with high accuracy.
- Established a validated thermodynamic model for the system.
Conclusions:
- The developed thermodynamic description is accurate and reliable for the studied systems.
- This work provides essential data for the design, optimization, and processing of refractory materials.
- The findings contribute to a better understanding of phase behavior in the CaO-Al2O3-Fe2O3 system relevant to industrial applications.
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