Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

The NADES glyceline as a potential Green Solvent: A comprehensive study of its thermophysical properties and effect of water inclusion

Lapena, David, Lomba, Laura, Artal, Manuela, Lafuente, Carlos, Giner, Beatriz
J. Chem. Thermodyn. 2019, 128, 164-172
ABSTRACT
In this paper, two Natural Deep Eutectic Solvents, glyceline (Gly) and glyceline-water (GlyW), containing choline chloride as acceptor H-bond compound and glycerol as donor H-bond group are studied. For glyceline the mole relation is 1 (choline chloride): 2 (glycerol) and for glyceline-water the mole relation is 1 (choline chloride): 1.99 (glycerol): 1.02 water. The ternary NADES has been synthetized and characterized chemically by NMR techniques for this work. Several thermophysical properties in a wide range of temperature (278.15-338.15) K and at atmospheric pressure (0.1 MPa) have been measured for both compounds: density, rho, speed of sound, u, refractive index, nD, surface tension,sigma, isobaric molar heat capacity, Cp,m, kinematic viscosity, nu, and electric conductivity,kappa. Furthermore, some related properties have been also calculated: isobaric expansibility, alphap, isentropic compressibility, kappaS, molar refraction, Rm, entropy and enthalpy of surface formationper unit surface area (deltaSs and deltaHs), and dynamic viscosity, eta, and viscous flow and electrical conductivity activation energies. The results have been discussed in terms of the effect of temperature and the inclusion of water. We conclude that the compound containing water into the structure has a higher molar volume and a higher fluidity. The binary NADES (Gly) is a more structured liquid than ternary one (GlyW).
Compounds
# Formula Name
1 C5H14ClNO choline chloride
2 C3H8O3 glycerol
3 H2O water
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
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Vibrating tube method
  • 25
  • POMD
  • 1
  • 2
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Single path-length method
  • 25
  • POMD
  • 1
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 23
  • POMD
  • 1
  • 2
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Air at 1 atmosphere
  • Drop volume
  • 25
  • POMD
  • 1
  • 2
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • DSC
  • 25
  • POMD
  • 1
  • 2
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Alternating current cell with electrodes
  • 25
  • POMD
  • 1
  • 2
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 25
  • POMD
  • 1
  • 2
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Vibrating tube method
  • 25
  • POMD
  • 1
  • 2
  • 3
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 2; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Single path-length method
  • 25
  • POMD
  • 1
  • 2
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 23
  • POMD
  • 1
  • 2
  • 3
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Air at 1 atmosphere
  • Drop volume
  • 25
  • POMD
  • 1
  • 2
  • 3
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • DSC
  • 25
  • POMD
  • 1
  • 2
  • 3
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 2; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Alternating current cell with electrodes
  • 25
  • POMD
  • 1
  • 2
  • 3
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 25