Abstract
Data systematization using the constraints from the equation
where C p, C v, α p, K T and V are respectively heat capacity at constant pressure, heat capacity at constant volume, isobaric thermal expansion, isothermal bulk modulus and molar volume, has been performed for tungsten and MgO. The data are
For the calculation of pressure-volume-temperature relation, a high temperature form of the Birch-Murnaghan equation is proposed
Where
where in turn
.
The temperature dependence of the pressure derivative of the bulk modulus (K′1) is estimated by using the shock-wave data. For tungsten the data are K′0 = 3.5434, K′1 = 0.032; for MgO K′0 = 4.17 and K′1 = 0.1667.
For calculating the Gibbs free energy of a solid at high pressure and at temperatures beyond that of melting at 1 atmosphere, it is necessary to define a high-temperature reference state for the fictive solid.
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Saxena, S.K., Zhang, J. Thermochemical and pressure-volume-temperature systematics of data on solids, examples: Tungsten and MgO. Phys Chem Minerals 17, 45–51 (1990). https://doi.org/10.1007/BF00209225
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DOI: https://doi.org/10.1007/BF00209225