Volumetric properties and phase relations of silica - thermodynamic assessment

• Taking into account various available experimental data, an improved internally consistent data set for the SiO2 system is obtained by thermodynamic assessment. The volumetric properties for SiO2 polymorphs are reassessed using the CALPHAD method. A two-coefficient expression is used to describe the thermal expansion and bulk modulus. For liquid phase, one equation is achieved in the temperature range of 298-4000 K either for thermal expansion or for bulk modulus. Phase diagrams have been calculated up to 40 GPa. It has been concluded that, in the pressure range lower than 20 GPa, there is no significant difference between the phase diagrams calculated by the Birch-Murnaghan equation of state (EOS) and by Murnaghan EOS.

Nyckelord

thermodynamic assessment

silica

phase diagram

volumetric properties

coesite-stishovite transition

high-pressure

alpha-quartz

thermal-expansion

x-ray

heat-capacities

cristobalite

sio2

transformations

temperature

Publikations- och innehållstyp

ref (ämneskategori)

art (ämneskategori)