Thermodynamic properties of MgAl2O4 spinel are significant in understanding the phase relations of the Earth's crust and upper mantle, but available values from experimental measurements are limited at ambient pressure conditions to date. Based on an iterative numerical approach and experimental data from the literature, we determined the self-consistent unit-cell volume, elastic moduli, and, particularly, thermodynamic properties, including thermal expansion, heat capacity, entropy, and the Gruneisen parameter of MgAl2O4 spinel over a wide temperature and pressure range. The obtained thermal expansion, heat capacity, entropy, and Gruneisen parameter of MgAl2O4 spinel show nonlinearly and are negatively correlated with pressure. Most importantly, we found that the pressure effects on thermal expansion and entropy increase with temperature, whereas the pressure effect on the heat capacity and the Gruneisen parameter decreases to a minimum at similar to 400 K and similar to 700 K, respectively, then increases or remains almost constant above this temperature, respectively.
Publication name |
Journal Of Geochemical Exploration, Volume 13, Issue 2, Article Number 240, DOI 10.3390/cryst13020240, Published FEB 2023 |
Author(s) |
Qiu, Wuxueying; Su, Chang; Liu, Yonggang; Song, Wei |
Corresponding author(s) |
Su, Chang suchang@cidp.edu.cn Inst Disaster Prevent, Sch Earth Sci, Sanhe 065201, Peoples R China
Su, Chang; Liu, Yonggang suchang@cidp.edu.cn;liuyonggang@vip.gyig.ac.cn
Chinese Acad Sci, Inst Geochem, Key Lab High Temp & High Pressure Study Earths Int, Guiyang 550081, Peoples R China
Su, Chang suchang@cidp.edu.cn Hebei Key Lab Earthquake Dynam, Sanhe 065201, Peoples R China |
Author(s) from IGCAS |
Su, Chang; Liu, Yonggang; Song, Wei | View here for the details
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