Thermodynamics Research Center / ThermoML | Thermochimica Acta

High temperature enthalpy increments and thermodynamic functions of ZrCo: An experimental and theoretical study

Chattaraj, D., Jat, R. A.[Ram Avtar], Parida, S. C., Agarwal, R.[Renu], Dash, S.[Smruti]
Thermochim. Acta 2015, 614, 16-20
ABSTRACT
The thermodynamic properties of ZrCo intermetallic were investigated both experimentally and theoretically to determine its applicability for the storage of hydrogen isotopes. The enthalpy increments of ZrCo were measured using a high temperature inverse drop calorimeter in the temperature range 642 1497 K. The enthalpy increments and heat capacity obtained for Zr0.5Co0.5(s) in the temperature range 642 1497 K were fitted into following polynomial expressions. The enthalpy of formation of ZrCo(s) at 298.15 K was calculated to be 55.96 kJ mol 1 using the abinitio method. The temperature dependent thermodynamic functions were calculated from the Debye Gruneisen quasi-harmonic approximation. A set of thermodynamic functions for ZrCo alloy were also calculated using experimental heat capacity data obtained in this study. The theoretically calculated low temperature heat capacity C0p ;m and entropy S0 m values of ZrCo smoothly joined with that of experimental high temperature data.
Compounds
# Formula Name
1 Zr zirconium
2 Co cobalt
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
  • 2
  • 1
  • Molar enthalpy, kJ/mol ; Crystal of intercomponent compound 1
  • Temperature, K; Crystal of intercomponent compound 1
  • Pressure, kPa; Crystal of intercomponent compound 1
  • Mole fraction - 2; Crystal of intercomponent compound 1
  • Crystal of intercomponent compound 1
  • Drop calorimetry
  • 18