Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Standard enthalpy, entropy and Gibbs free energy of formation of "A" type carbonate phosphocalcium hydroxyapatites

Jebri, S.[Sonia], Khattech, I.[Ismail], Jemal, M.[Mohamed]
J. Chem. Thermodyn. 2017, 106, 84-94
ABSTRACT
"A" carbonate phosphocalcium hydroxyapatites having the general formula Ca10(PO4)6(OH)(2-2x)(CO3)x with 0 less than x less than 1, were prepared by solid gas reaction in the temperature range of 700-1000 C. The obtained materials were characterized by X-ray diffraction and infrared spectroscopy. The carbonate content has been determined by C-H-N analysis. The heat of solution of these products was measured at T = 298 K in 9 wt% nitric acid solution using an isoperibol calorimeter. A thermochemical cycle was proposed and complementary experiences were performed in order to access to the standard enthalpies of formation of these phosphates. The results were compared to those previously obtained on apatites containing strontium and barium and show a decrease with the carbonate amount introduced in the lattice. This quantity becomes more negative as the ratio of substitution increases. Estimation of the entropy of formation allowed the determination of standard Gibbs free energy of formation of these compounds. The study showed that the substitution of hydroxyl by carbonate ions contributes to the stabilisation of the apatite structure.
Compounds
# Formula Name
1 Ca calcium
2 P phosphorus
3 H2 hydrogen
4 O2 oxygen
5 C graphite
6 Ca5HO13P3 hydroxyapatite
7 CCa10O27P6 calcium carbonate phosphate (Ca10(CO3)(PO4)6)
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
  • 6
  • Mass density, kg/m3 ; Crystal
  • Pressure, kPa; Crystal
  • Temperature, K; Crystal
  • Crystal
  • X-ray diffraction
  • 1
  • POMD
  • 7
  • Mass density, kg/m3 ; Crystal
  • Pressure, kPa; Crystal
  • Temperature, K; Crystal
  • Crystal
  • X-ray diffraction
  • 1
  • POMD
  • 6
  • 7
  • Mass density, kg/m3 ; Crystal
  • Mole fraction - 7; Crystal
  • Pressure, kPa; Crystal
  • Temperature, K; Crystal
  • Crystal
  • X-ray diffraction
  • 9
  • RXND
  • 1
  • 2
  • 6
  • 3
  • 4
  • Molar enthalpy of reaction, kJ/mol
  • Solution calorimetry
  • 1
  • RXND
  • 1
  • 2
  • 7
  • 5
  • 4
  • Molar enthalpy of reaction, kJ/mol
  • Solution calorimetry
  • 1