Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Determination of the temperature dependence of Titanium(IV) hydrolysis and complexation constants in aqueous sulfuric or chlorhydric solutions

Pichavant, A.[Alexandre], Provost, E.[Elise], Furst, W.[Walter], Hochepied, J.-F.[Jean-Francois]
J. Chem. Thermodyn. 2019, 131, 184-191
ABSTRACT
Thermohydrolysis in aqueous acidic (sulfuric or chlorhydric) solutions is one of the main processes to produce titania particles. Nevertheless, a survey of available thermodynamic constants shows discrepancies between authors, even at room temperature. In addition, the temperature dependence of thermodynamic constants is seldom studied, making it hazardous to predict the speciation and supersaturation at usual thermohydrolysis temperatures. Here we propose a simple method, based on solubility measurements at 25 C and at 80 C, to select the best set of constants at room temperature among those existing in literature as well as the best extrapolation method of these constants to thermohydrolysis temperature.
Compounds
# Formula Name
1 O2Ti titanium(IV) oxide
2 H2O water
3 ClHO4 perchloric acid
4 H2O4S sulfuric acid
5 ClH hydrogen chloride
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
  • 2
  • 3
  • Amount concentration (molarity), mol/dm3 - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Metastable crystal - 1
  • SPECTR
  • 2
  • POMD
  • 1
  • 2
  • 4
  • Amount concentration (molarity), mol/dm3 - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Metastable crystal - 1
  • SPECTR
  • 1
  • POMD
  • 1
  • 2
  • 5
  • Amount concentration (molarity), mol/dm3 - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Metastable crystal - 1
  • SPECTR
  • 1