Abstract
Zinc oxide represents an important material with a wide variety of applications. At the temperature T=298.15K and standard pressure p°=100kPa ZnO exists in the hexagonal wurtzite structure, which undergoes a transformation to rock salt polymorph under the pressure of ≈9GPa. A consistent set of thermodynamic functions for ZnO in the high-pressure rock salt modification has been established on the basis of thorough evaluation of experimental and calculated data. Using literature data for wurtzite ZnO, standard enthalpy of formation at 298.15K for rock salt ZnO have been assessed as ΔfH°(298.15K)=−326.69kJmol−1. Standard entropy S°m(298.15K)=45.42JK−1mol−1 was derived from published low temperature heat capacity. The temperature dependence of the standard molar heat capacity above room temperature in the form C°pm=45.91+0.009089T−604976/T2+4.159×10−6T2 (JK−1mol−1) has been derived. The dataset is consistent with the transition pressure ptr=9.6GPa for wurtzite to rock salt transformation at room temperature.
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