Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Measurement and correlation of physicochemical properties of phosphonium-based deep eutectic solvents at several temperatures (293.15 K - 343.15 K) for CO2 capture

Ghaedi, H.[Hosein], Ayoub, M.[Muhammad], Sufian, S.[Suriati], Lal, B.[Bhajan], Shariff, A. M.[Azmi Mohd]
J. Chem. Thermodyn. 2017, 113, 41-51
ABSTRACT
Recently, deep eutectic solvents (DESs) as the new solvents have received considerable amount of attention between researchers in different research fields and are under investigation so find out their potential to become a versatile alternative to ionic liquids (ILs) and traditional solvents. DESs are derived from two or more salts as the hydrogen bond acceptors (HBAs) and hydrogen bond donors (HBDs). Six DESs were synthesized namely allyltriphenylphosphonium bromide- diethylene glycol (ATPPB-DEG) and allyltriphenylphosphonium bromide- triethylene glycol (ATPPB-TEG) using three mole ratios of 1:4, 1:10 and 1:16 salt to HBDs. In this work, we report physicochemical properties of these DESs, which include density, molar volume, isobaric thermal expansion, refractive index, specific refraction, molar refraction, free molar volume, electronic polarization and internal pressure at several temperatures from 293.15 K to 343.15 K. Most of these properties are fitted to a linear equation by the method of least-squares using the Levenberg-Marquardt algorithm to derive the corresponding parameters and estimate the root mean square error (RMSE) and least squared correlation coefficient (R2).
Compounds
# Formula Name
1 C21H20BrP allyltriphenylphosphonium bromide
2 C4H10O3 diethylene glycol
3 C6H14O4 triethylene glycol
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
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 11
  • POMD
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 11
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 11
  • POMD
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 11
  • POMD
  • 2
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 44
  • POMD
  • 2
  • 1
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 44
  • POMD
  • 3
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 44
  • POMD
  • 3
  • 1
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 44