Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Solute partitioning between an ionic liquid and high-pressure CO2 studied with in situ FTIR spectroscopy

Sakellarios, N. I., Kazarian, S. G.
J. Chem. Thermodyn. 2005, 37, 6, 621-626
ABSTRACT
In situ FTIR spectroscopy has been utilized to investigate the partitioning of a model solute between 1-n-butyl-3-methylimidazolium hexafluorophosphate ([bmim][PF6]) room temperature ionic liquid (RTIL) and high-pressure CO2. A combined ATR-IR and transmission spectroscopic technique has been developed to calculate the partition coefficient, Kc, of benzil between the two media as a function of CO2 pressure. Analysis of the data acquired [Kc(RTIL/CO2) = 43.8 at a temperature of 40 ?C and 10.5 MPa] illustrate that in situ spectroscopy is a viable method for obtaining partitioning data for solutes in RTIL/CO2 systems.
Compounds
# Formula Name
1 C8H15F6N2P 1-butyl-3-methylimidazolium hexafluorophosphate
2 C14H10O2 1,2-diphenylethanedione
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
  • 2
  • 1
  • Amount concentration (molarity), mol/dm3 - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Amount concentration (molarity), mol/dm3 - 2; Gas
  • Liquid
  • Gas
  • attenuated total reflectance infrared spectroscopy with transmission spectroscopy
  • 1