Internally consistent ion volumes and their application in volume-based thermodynamics
Leslie Glasser1, H Donald Brooke Jenkins
1Nanochemistry Research Institute, Department of Applied Chemistry, Curtin University of Technology, G.P.O. Box U1987, Perth WA 6845, Australia. l.glasser@curtin.edu.au
Inorganic Chemistry
|June 21, 2008
Summary
Volume-based thermodynamics (VBT) links material properties to formula unit volumes. Accurate VBT relies on precise volume data derived from crystal structures, density, or ion-volume estimations for reliable condensed-phase material analysis.
Area of Science:
- Materials Science
- Physical Chemistry
- Thermodynamics
Background:
- Volume-based thermodynamics (VBT) is a key concept for understanding condensed-phase materials.
- Accurate thermodynamic data is crucial for materials development and application.
- The VBT approach necessitates precise determination of formula unit or molecular volumes.
Purpose of the Study:
- To outline the preferred methods for obtaining accurate formula unit volumes for Volume-based thermodynamics.
- To ensure the most reliable application of VBT in condensed-phase materials research.
Main Methods:
- Prioritizing volume derivation from crystal structure data.
- Utilizing experimental density measurements as a secondary method for volume determination.
- Employing ion-volume summation for estimating volumes when experimental data is unavailable.
Main Results:
- Established a hierarchy for volume data acquisition in VBT.
- Demonstrated the importance of accurate volume inputs for thermodynamic calculations.
- Provided a practical guideline for researchers using VBT.
Conclusions:
- The accuracy of Volume-based thermodynamics is directly dependent on the quality of the input volume data.
- A systematic approach to volume determination ensures the most reliable thermodynamic insights.
- This methodology enhances the predictive power and applicability of VBT in materials science.
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