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Volume-based thermoelasticity: compressibility of inorganic solids
1Nanochemistry Research Institute, Department of Applied Chemistry, Curtin University of Technology, GPO Box U1987, Perth, WA 6845, Australia. l.glasser@curtin.edu.au
Inorganic Chemistry
|March 6, 2010
Summary
Predicting material compressibility is possible using only chemical formula and density. This study reveals strong linear correlations between isothermal compressibility and formula volume per atom pair for various binary solids.
Area of Science:
- Materials Science
- Solid-State Physics
- Thermodynamics
Background:
- Thermodynamic properties, like entropy, correlate with formula volume, enabling predictions from chemical formula and density.
- Structural details are often unnecessary for predicting thermodynamic properties.
Purpose of the Study:
- To extend previous findings to the thermoelastic property of isothermal compressibility (beta).
- To establish correlations between isothermal compressibility and formula volume per atom pair for various solid types.
Main Methods:
- Analysis of isothermal compressibility (beta) data for different classes of binary solids.
- Correlation of compressibility with formula volume per atom pair (V(pr)).
- Determination of proportionality constants for distinct material groups.
Main Results:
- A strong linear correlation exists between isothermal compressibility and formula volume per atom pair for binary solids.
- Alkali halides exhibit a proportionality constant of 0.908 GPa⁻¹ V(pr)⁻¹.
- 1:1 monoxides, monochalcogenides, monopnictides, and chalcopyrites share a common constant of 0.317 GPa⁻¹ V(pr)⁻¹.
- Certain oxides (e.g., spinels, garnets) show a weaker volume dependence with a constant around 0.108 GPa⁻¹ V(pr)⁻¹ + 0.003 GPa⁻¹.
Conclusions:
- Isothermal compressibility can be predicted using formula volume per atom pair, simplifying material characterization.
- Distinct material classes exhibit unique compressibility-volume relationships, allowing for tailored predictive models.
- The findings offer a pathway for estimating thermoelastic properties without complex structural analysis.
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