Ba3CuO4(s) is one of the important compounds as a proton conducting electrolyte which form due to interaction of BaO and CuO. In the present study, Ba3CuO4(s) has been synthesized by solid state route and the Gibbs energy of formation and heat capacity has been experimentally measured by Knudsen Effusion Mass Spectrometer and differential scanning calorimeter. The deltaGf (Ba3CuO4, s, T) and C.deg.p (Ba3CuO4, s, T) is obtained as per given equations: deltaGf (Ba3CuO4, s, T) +- 7 / kJ mol-1 = -1888 + 0.4229.(T / K) C.deg.p (Ba3CuO4, s, T)(J K-1 mol-1) +- 6 = 211 + 0.0274*(T/K) - 3039600.(T /K)-2 The binary phase diagram of BaO-CuO system has been calculated based on the Gibbs energy minimization method. Using the experimental thermodynamic data, isothermal chemical potential diagram of Ba-Cu-C-O system with different axial parameter and ternary phase diagram of Ba (s) - Cu (s) - O2 (g) system has been calculated in order to study the thermodynamic stability and coexisting phases of Ba3CuO4(s).
Compounds
#
Formula
Name
1
CBaO3
barium carbonate
2
CuO
copper(II) oxide
3
CO2
carbon dioxide
4
Ba3CuO4
barium copper oxide (Ba3CuO4)
5
BaO
barium oxide (BaO)
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
Mass density, kg/m3 ; Crystal
Temperature, K; Crystal
Pressure, kPa; Crystal
Crystal
X-ray diffraction
1
POMD
4
Molar heat capacity at constant pressure, J/K/mol ; Crystal
Temperature, K; Crystal
Pressure, kPa; Crystal
Crystal
DSC
27
POMD
2
Molar heat capacity at constant pressure, J/K/mol ; Crystal
Temperature, K; Crystal
Pressure, kPa; Crystal
Crystal
DSC
22
POMD
5
Molar heat capacity at constant pressure, J/K/mol ; Crystal