Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Phase equilibria of high pressure CO2 and deep eutectic solvents formed by quaternary ammonium salts and phenol

Ji, Y.[Youan], Hou, Y.[Yucui], Ren, S.[Shuhang], Yao, C.[Congfei], Wu, W.[Weize]
Fluid Phase Equilib. 2016, 429, 14-20
ABSTRACT
Phase equilibria of the binary systems of high pressure CO2 p deep eutectic solvents (DESs) formed by quaternary ammonium salts (QASs, including 2-hydroxy-N, N, N-trimethyl-ethanaminium chloride, ChCl; N, N, N-trimethyl-methanaminium chloride, TMAC; and N, N, N-triethyl-ethanaminium chloride, TEAC) and phenol were measured at temperatures from 313.15 K to 333.15 K, pressures from 1.71 MPa to 13.3 MPa and mole ratios of phenol to QAS from 2.00 to 4.00. It has been found that two-phase equilibrium exists at all the studied conditions. The solubility of phenol in the CO2 phase and the solubility of CO2 in the DES phase at different pressures, temperatures, mole ratios of phenol to QAS have been obtained. Both the solubility of phenol in the CO2 phase and the solubility of CO2 in the DES phase formed by ChCl and phenol shows the largest, while those in the DES phase formed by TEAC and phenol shows the smallest. This work provides phase equilibrium data for phenol extraction and QAS regeneration.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C5H14ClNO choline chloride
3 C6H6O phenol
4 C4H12ClN tetramethylammonium chloride
5 C8H20ClN tetraethylammonium 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
  • 2
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Solvent: Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • gravimetric
  • 38
  • POMD
  • 2
  • 3
  • 1
  • Mole fraction - 3 ; Gas
  • Solvent: Mole fraction - 3; Liquid
  • Pressure, kPa; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid
  • UV-vis spectrophotometry
  • 37
  • POMD
  • 4
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • gravimetric
  • 7
  • POMD
  • 4
  • 3
  • 1
  • Mole fraction - 3 ; Gas
  • Pressure, kPa; Gas
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 3; Liquid
  • Gas
  • Liquid
  • uv-vis spectrophotometry
  • 7
  • POMD
  • 5
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 5; Liquid
  • Liquid
  • Gas
  • gravimetric
  • 7
  • POMD
  • 5
  • 3
  • 1
  • Mole fraction - 3 ; Gas
  • Pressure, kPa; Gas
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 3; Liquid
  • Gas
  • Liquid
  • uv-vis spectrophotometry
  • 7
  • POMD
  • 2
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 9
  • POMD
  • 2
  • 3
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 9
  • POMD
  • 2
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA
  • 2
  • POMD
  • 4
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 6
  • POMD
  • 4
  • 3
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 6
  • POMD
  • 4
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA
  • 1
  • POMD
  • 5
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 9
  • POMD
  • 5
  • 3
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 9
  • POMD
  • 5
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • DTA
  • 1