[1] In order to determine an accurate and reliable high-pressure and high-temperature equation of state (EOS) of MgO, unified analyses were carried out for various pressure-scale-free experimental data sets measured at 1 atm to 196 GPa and 300-3700 K, which are zero-pressure thermal expansion data, zero-pressure and high-temperature adiabatic bulk modulus (K S ) data, room temperature and high-pressure K S data, and shock compression data. After testing several EOS models based on the Mie-Grüneisen-Debye description for the thermal pressures with the Vinet and the third-order Birch-Murnaghan equations for the 300-K isothermal compression, we determined the K 0 T0 and g(V) using a new functional formb À 1]} to express the volume dependence of the Grüneisen parameter. Through least squares analyses with prerequisite zero-pressure and room temperature properties of V 0 , K S0 , a 0 , and C P0 , we simultaneously optimized a set of parameters of K 0 T0 , g 0 , a, and b required to represent the P-V-T EOS. Determined new EOS models of MgO successfully reproduced all the analyzed P-V-T-K S data up to 196 GPa and 3700 K within the uncertainties, and the total residuals between calculated and observed pressures were found to be 0.8 GPa in root mean squares. These EOS models, even though very simple, are able to reproduce available data quite accurately in the wide pressure-temperature range and completely independent from other pressure scales. We propose these models for primary pressure calibration standards applicable to quantitative high-pressure and high-temperature experiments.Citation: Tange, Y., Y. Nishihara, and T. Tsuchiya (2009), Unified analyses for P-V-T equation of state of MgO: A solution for pressure-scale problems in high P-T experiments,
The equation of state (EoS) and thermodynamic properties of non-magnetic liquid iron were investigated from energy (E)-pressure (P)-volume (V)-temperature (T) relationships calculated by means of ab initio molecular dynamics simulations at 60-420 GPa and 4000-7000 K. Its internally consistent thermodynamic and elastic properties, in particular, density, adiabatic bulk modulus, and P wave velocity, were then analyzed. Compared to the seismological data of the Earth's outer core, pure liquid iron is found to have an 8-10% larger density and 3-10% larger bulk modulus than the Earth's values. Results also show that the P wave velocity of liquid iron has marginal temperature dependence as the bulk sound velocity of solid iron. The new EoS model and thermodynamic properties of liquid iron may serve as fundamental data for the thermochemical modeling of the Earth's core.
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