Description of the thermodynamic properties of pure gold in the solid and liquid states from 0 K

Abstract

Thermodynamic data for pure gold were critically assessed using an extended Einstein model from 0 K for the crystalline FCC_A1 phase and a two state model for the liquid phase. During the assessment, careful critical evaluation of the experimental data on thermodynamic properties of solid (FCC_A1) and liquid phases was carried out. Due to the fact that there is a large scatter in the experimental data for crystalline gold in the temperature range between 200 K and the melting point, we carried out additional ab initio calculations of the thermodynamic properties. In order to fulfil the need for a precise evaluation of So298.15 we needed to use an additional technique using multiple Einstein functions, which allows the experimental heat capacity and enthalpy data for the solid phase to be approximated accurately from 0 K up to the melting point. It was found during the data analysis that there is a large scatter in experimental data for the enthalpy of fusion and the liquid phase.