Thermodynamics Research Center / ThermoML | Thermochimica Acta

Heat capacity and thermodynamic functions of sphalerite: Implication to sulfide solid-state galvanic cell measurements

Gurevich, V. M., Osadchii, V. O., Polyakov, V. B., Gavrichev, K. S., Osadchii, E. G.
Thermochim. Acta 2016, 641, 14-23
ABSTRACT
New adiabatic calorimeter measurements of heat capacity of sphalerite from 13.23 to 312.85 K at ambient pressure agree well with previous adiabatic calorimeter results but overestimate PPMS-derived data (Cardona et al., 2010) at T greater than 150 K. The adiabatic calorimeter low-temperature heat capacity data and drop-calorimetric high-temperature data on H0(T) - H0(298.15) are rationalized in the framework of the Kieffer-type vibrational spectrum model accounting for dependence of vibrational frequencies on volume and temperature. Thermodynamic properties of sphalerite are calculated by the elaborated model from 0 to 1300 K. Present calorimetric results conform to those from high-temperature electromotive force (EMF) experiments (Osadchii et al., 2015) using the Cu/Cu2S buffer. The disagreement with data based the Ag/Ag2S buffer is explained by deviation of silver sulfide from stoichiometry in the EMF experiments. A correction to the Gibbs energy of formation obtained in high-temperature EMF experiments using the Ag/Ag2S buffer is suggested.
Compounds
# Formula Name
1 SZn zinc sulfide
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Vacuum adiabatic calorimetry
  • 75
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Vacuum adiabatic calorimetry
  • 49
  • POMD
  • 1
  • Molar entropy, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Vacuum adiabatic calorimetry
  • 49
  • POMD
  • 1
  • Molar enthalpy, kJ/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Vacuum adiabatic calorimetry
  • 49