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Dataset for the thermodynamic description for the NaF-KF-RbF-ZnF2 system
Huiqin Yin1, Shuang Wu1, Xueliang Wang1
1Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, PR China.
Data in Brief
|February 28, 2019
Summary
This study provides thermodynamic data for the NaF-KF-RbF-ZnF2 system, enabling accurate phase diagram calculations. It includes optimized parameters, experimental comparisons, and mixing enthalpies for better system understanding.
Area of Science:
- Materials Science
- Thermodynamics
- Computational Chemistry
Background:
- The NaF-KF-RbF-ZnF2 system is crucial for various applications.
- Accurate thermodynamic data is essential for predicting phase behavior.
Purpose of the Study:
- To present a comprehensive thermodynamic database for the NaF-KF-RbF-ZnF2 quaternary system.
- To provide optimized model parameters for thermodynamic calculations.
- To facilitate the generation of accurate phase diagrams.
Main Methods:
- Optimization of thermodynamic parameters.
- Calculation of phase diagrams.
- Comparison with experimental lattice constants.
- Calculation of mixing enthalpies.
Main Results:
- A validated thermodynamic database for the NaF-KF-RbF-ZnF2 system.
- Calculated phase diagrams based on the optimized parameters.
- Comparison of calculated and experimental lattice constants, showing good agreement.
- Presentation of mixing enthalpies for binary subsystems.
Conclusions:
- The developed thermodynamic database accurately describes the NaF-KF-RbF-ZnF2 system.
- The data supports reliable phase diagram predictions.
- The supplementary material enhances understanding of the system's thermodynamic properties.
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