Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

New experimental heat capacity and enthalpy of formation of lithium cobalt oxide

Gotcu-Freis, P.[Petronela], Cupid, D. M.[Damian M.], Rohde, M.[Magnus], Seifert, H. J.[Hans J.]
J. Chem. Thermodyn. 2015, 84, 118-127
ABSTRACT
The heat capacity of LiCoO2 (O3-phase), constituent material in cathodes for lithium-ion batteries, was measured using two differential scanning calorimeters over the temperature range from (160 to 953) K (continuous method). As an alternative, the discontinuous method was employed over the temperature range from (493 to 693) K using a third calorimeter. Based on the results obtained, the enthalpy increment of LiCoO2 was derived from T = 298.15 K up to 974.15 K. Very good agreement was obtained between the derived enthalpy increment and our independent measurements of enthalpy increment using transposed temperature drop calorimetry at 974.15 K. In addition, values of the enthalpy of formation of LiCoO2 from the constituent oxides and elements were assessed based on measurements of enthalpy of dissolution using high temperature oxide melt drop solution calorimetry. The high temperature values obtained by these measurements are key input data in safety analysis and optimisation of the battery management systems which accounts for possible thermal runaway events.
Compounds
# Formula Name
1 Li lithium
2 Co cobalt
3 O2 oxygen
4 CoLiO2 cobalt lithium oxide (LiCoO2)
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
  • 4
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Small sample (50 mg) DSC
  • 32
  • POMD
  • 4
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Small sample (50 mg) DSC
  • 26
  • POMD
  • 4
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Large sample (1 g) DSC
  • 10
  • POMD
  • 4
  • Molar enthalpy, kJ/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Drop calorimetry
  • 1
  • RXND
  • 1
  • 2
  • 4
  • 3
  • Molar enthalpy of reaction, kJ/mol
  • Solution calorimetry
  • 1