Equations of state for calcite minerals. I. theoretical model for dry calcium carbonate

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Abstract
This paper describes a theoretical equation of state (EOS) for calcium carbonate that includes a treatment of solid-solid phase transitions and melting. The thermodynamic properties for each of four solid polymorphs are calculated by combining contributions from ion-ion interactions (cold curve) and lattice vibrational motion. A model for the liquid phase is constructed using fluid perturbation theory. The phase boundaries and multiphase EOS are computed by finding the phase having minimum Gibbs free energy at constant temperature and pressure. A discussion of the phase transitions under dynamic loading conditions is given. The model is in good agreement with experimental thermophysical properties, phase boundaries, and shock wave data.