Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Determination of CO2 Solubility in Water and NaCl Solutions under Geological Sequestration Conditions Using a Fused Silica Capillary Cell with in Situ Raman Spectroscopy

Wang, J.[Junliang], He, B.[Benben], Xie, L.[Lifeng], Bei, K.[Ke], Li, G.[Guixuan], Chen, Z.[Zuhua], Chou, I.-M.[I.-Ming], Lin, C.[Chunmian], Pan, Z.[Zhiyan]
J. Chem. Eng. Data 2019, 64, 6, 2484-2496
ABSTRACT
To investigate the solubility of carbon dioxide (CO2) in geological fluids at different temperatures and pressures, we developed a method for measuring solubility using an optically transparent fused silica capillary cell as a high-pressure optical cell (HPOC) combined with Raman spectroscopy under geological sequestration conditions (temperatures of up to 353.15 K and pressure of up to 30.0 MPa). Based on the fact that the band intensity of an active Raman species is proportional to its concentration, we determined the linear correlation between the known CO2 concentration and the ratio of the Raman peak heights of CO2 and H2O ( CO / H O ) in homogeneous CO2-H2O and CO2-H2O-NaCl systems. Our results indicate that the Raman peak height ratio is a function of the CO2 concentration and that the pressure and temperature do not significantly affect the relationship between the CO2 concentration and CO / H O within the experimental P-T-x conditions. The CO 2 / H 2O values of the CO2-saturated solutions were determined by simulating the CO2 geological sequestration T-P-x conditions. Then, the CO2 solubilities were calculated using the linear relationship. Our results indicate that the method is feasible and that the solubility of CO2 in H2O or NaCl solutions decreases with increasing temperature, increases with increasing pressure, and decreases with increasing salinity. Based on a comparison between our experimental data and the results of the previous model, our method provides satisfactory results.
Compounds
# Formula Name
1 H2O water
2 ClNa sodium chloride
3 CO2 carbon dioxide
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
  • 3
  • 1
  • 2
  • Molality, mol/kg - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Molality, mol/kg - 2; Liquid
  • Liquid
  • Gas
  • Raman spectroscopy
  • 444
  • POMD
  • 3
  • 1
  • 2
  • Molality, mol/kg - 3 ; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Solvent: Molality, mol/kg - 2; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Raman spectroscopy
  • 60
  • POMD
  • 3
  • 1
  • Boiling temperature at pressure P, K ; Liquid
  • Molality, mol/kg - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Raman spectroscopy
  • 174
  • POMD
  • 3
  • 1
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Molality, mol/kg - 3; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Raman spectroscopy
  • 24