Prediction of Thermodynamic Parameter at High Pressure

Abstract

In present work, we have theoretically studied some thermoelastic properties of TiO2 and nano-TiO2 under high pressure, such as pressure, isothermal bulk modulus, and relative isothermal expansion coefficient of materials, by using four different Equation of States (EOSs): viz. (I) Murnaghan EOS, (II) Vinet-Rydberg EOS, (III) Born-Mayer EOS and (IV) M-L Jones EOS. The result showed that the pressures increase as compression increases, which is in excellent agreement with experimental value. The bulk modulus also increases as pressure increases, and the value of relative isothermal expansion coefficient increases as pressure decreases.