THERMODYNAMIC PROPERTIES OF ROCK-FORMING OXIDES, α-Al2O3, Cr2O3, α-Fe2O3, AND Fe3O4 AT HIGH TEMPERATURES AND PRESSURES

Abstract

Equations of state of corundum (α-Al2O3), eskolaite (Cr2O3), hematite (α-Fe2O3), and magnetite (Fe3O4) are constructed based on the Helmholtz free energy by simultaneous optimization of ultrasonic, X-ray diffraction, dilatometric, and thermochemical measurements. The magnetic contribution to Cr2O3, α-Fe2O3, and Fe3O4 Helmholtz free energy was determined via the A.T. Dinsdale model [Dinsdale, 1991]. The calculated thermodynamic properties of rock-forming oxides of aluminum, chromium, and iron are in good agreement with the reference data and experimental measurements at room pressure, as well as with P-V-T measurements at high temperatures and pressures. Thermodynamic functions (x, α, S, CP, CV, KT, KS, γth, G) of corundum, eskolaite, hematite, and magnetite are calculated at different pressures (up to 80, 70, 50 and 20 GPa, respectively) and temperatures (up to 2000 K), and the results are tabulated. The calculated Gibbs energy of rock-forming oxides can be used to construct the phase diagrams of mineral systems, which include the oxides under the conditions of the Earth’s mantle.

Keywords

• thermodynamics
• equation of state
• helmholtz free energy
• oxide
• corundum
• eskolaite
• hematite
• magnetite
• mantle