Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Tetramethylammonium chloride + glycerol deep eutectic solvent as separation agent for organic liquid mixtures: Assessment from experimental limiting activity coefficients

Nkosi, Nkululeko, Tumba, Kaniki, Ramsuroop, Suresh
Fluid Phase Equilib. 2018, 473, 98-105
ABSTRACT
Solute retention data acquired by gas-liquid chromatography were used to determine the activity coefficients at infinite dilution for 24 organic solutes in the deep eutectic solvent (DES) consisting of tetramethylammonium chloride and glycerol in a molar ratio of 1.001:2. The organic solutes included alk-1-anes, alk-1-enes, alk-1-ynes, cycloalkanes, alkanols, alkylbenzenes, ketones, esters and heterocyclics. The measurements were undertaken at four different temperatures, viz T = (313.15, 323.15, 333.15 and 343.15) K with an estimated uncertainty of +-3.8%. From the experimental infinite dilution activity coefficient data, the values of partial molar excess enthalpy at infinite dilution were calculated using Gibbs Helmholtz relationship. Limiting selectivity and capacity values were also calculated from experimental limiting activity coefficients and compared to those of other separation agents, including other deep eutectic solvents, ionic liquids and industrial molecular agents. Results obtained in this study indicate that tetramethylammonium chloride + glycerol DES can potentially be used as an alternative solvent for nitrogen and sulphur removal from transportation fuels as well as the separation of cycloalkanes, aromatics and esters from light alkanols.
Compounds
# Formula Name
1 C6H14 hexane
2 C7H16 heptane
3 C8H18 octane
4 C5H10 cyclopentane
5 C6H12 cyclohexane
6 C7H14 cycloheptane
7 C8H16 cyclooctane
8 C6H12 hex-1-ene
9 C7H14 1-heptene
10 C7H12 1-heptyne
11 C8H14 1-octyne
12 C2H6O ethanol
13 CH4O methanol
14 C3H8O propan-1-ol
15 C3H8O propan-2-ol
16 C6H6 benzene
17 C7H8 toluene
18 C8H10 ethylbenzene
19 C3H6O acetone
20 C4H8O butanone
21 C4H4S thiophene
22 C5H5N pyridine
23 C3H6O2 methyl ethanoate
24 C4H8O2 ethyl acetate
25 C4H12ClN tetramethylammonium chloride
26 C3H8O3 glycerol
27 C4H10O 2-methyl-1-propanol
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
  • 25
  • 26
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 25; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 25
  • 26
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 25; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 1
  • 25
  • 26
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 2
  • 25
  • 26
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 3
  • 25
  • 26
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 4
  • 25
  • 26
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 5
  • 25
  • 26
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 6
  • 25
  • 26
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 7
  • 25
  • 26
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 7; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 8
  • 25
  • 26
  • Activity coefficient - 8 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 8; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 9
  • 25
  • 26
  • Activity coefficient - 9 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 10
  • 25
  • 26
  • Activity coefficient - 10 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 10; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 11
  • 25
  • 26
  • Activity coefficient - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 11; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 12
  • 25
  • 26
  • Activity coefficient - 12 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 12; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 13
  • 25
  • 26
  • Activity coefficient - 13 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 13; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 14
  • 25
  • 26
  • Activity coefficient - 14 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 14; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 15
  • 25
  • 26
  • Activity coefficient - 15 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 15; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 16
  • 25
  • 26
  • Activity coefficient - 16 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 16; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 17
  • 25
  • 26
  • Activity coefficient - 17 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 17; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 18
  • 25
  • 26
  • Activity coefficient - 18 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 18; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 19
  • 25
  • 26
  • Activity coefficient - 19 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 19; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 20
  • 25
  • 26
  • Activity coefficient - 20 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 20; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 21
  • 25
  • 26
  • Activity coefficient - 21 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 21; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 22
  • 25
  • 26
  • Activity coefficient - 22 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 22; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 23
  • 25
  • 26
  • Activity coefficient - 23 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 23; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 24
  • 25
  • 26
  • Activity coefficient - 24 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 24; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 27
  • 25
  • 26
  • Activity coefficient - 27 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 25; Liquid
  • Mole fraction - 27; Liquid
  • Liquid
  • Chromatography
  • 4