Abstract
We have used Kieffer's vibrational model to calculate heat capacities and entropies for Al2O3 corundum and MgSiO3 ilmenite, using available vibrational and elastic data for these phases. The calculated heat capacity for corundum is within 1–2 percent of the experimental values between 100 K and 1,800 K, while that for MgSiO3 ilmenite is within 1–2 percent of the experimental data between 350 K and 500 K. We have calculated the heat capacity for MgSiO3 ilmenite from 50 K to 1,800 K, which extends the range of available heat capacity data for this phase. The results of this calculation suggest that there may be differences in the vibrational properties of corundum and MgSiO3 ilmenite. Finally, we have used the results of our calculation to obtain a transition entropy of near -18.8 J/mol.K for the MgSiO3 pyroxene-ilmenite reaction.
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McMillan, P.F., Ross, N.L. Heat capacity calculations for Al2O3 corundum and MgSiO3 ilmenite. Phys Chem Minerals 14, 225–234 (1987). https://doi.org/10.1007/BF00307986
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DOI: https://doi.org/10.1007/BF00307986