Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Measurements of activity coefficients at infinite dilution of aromatic and aliphatic hydrocarbons, alcohols, and water in the new ionic liquid [EMIM][SCN] using GLC

Domanska, U.[Urszula], Marciniak, A.[Andrzej]
J. Chem. Thermodyn. 2008, 40, 5, 860-866
ABSTRACT
A new ionic liquid was chosen for the separation of aromatic hydrocarbons from aliphatic hydrocarbons. The activity coefficients at infinite dilution, c113 for 29 solutes: alkanes, alkenes, alkynes, cycloalkanes, aromatic hydrocarbons, alcohols, and water in the ionic liquid 1-ethyl-3-methyl-imidazolium thiocyanate [EMIM][SCN] were determined by gas liquid chromatography at the temperatures from 298.15 K to 368.15 K. The values of the partial molar excess enthalpies at infinite dilution DHE;1 1 were calculated from the experimental c113 values obtained over the temperature range. The selectivities for the hexane/benzene and cyclohexane/benzene separation problems were calculated from the c113 and compared to the other ionic liquids, NMP and sulfolane, taken from the recent literature. This work demonstrates that with chosen ionic liquid it is possible to separate different organic compounds with the highest selectivity ever published.
Compounds
# Formula Name
1 C7H11N3S 1-ethyl-3-methylimidazolium thiocyanate
2 C6H14 hexane
3 C7H16 heptane
4 C8H18 octane
5 C9H20 nonane
6 C10H22 decane
7 C5H10 cyclopentane
8 C6H12 cyclohexane
9 C7H14 cycloheptane
10 C8H16 cyclooctane
11 C5H10 1-pentene
12 C6H12 hex-1-ene
13 C7H14 1-heptene
14 C8H16 oct-1-ene
15 C5H8 1-pentyne
16 C6H10 1-hexyne
17 C7H12 1-heptyne
18 C8H14 1-octyne
19 C6H6 benzene
20 C7H8 toluene
21 C8H10 ethylbenzene
22 C8H10 1,2-dimethylbenzene
23 C8H10 1,3-dimethylbenzene
24 C8H10 1,4-dimethylbenzene
25 CH4O methanol
26 C2H6O ethanol
27 C3H8O propan-1-ol
28 C4H10O butan-1-ol
29 C5H12O pentan-1-ol
30 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
  • 2
  • 1
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 3
  • 1
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 4
  • 1
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 5
  • 1
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 6
  • 1
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 7
  • 1
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 7; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 8
  • 1
  • Activity coefficient - 8 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 8; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 9
  • 1
  • Activity coefficient - 9 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 10
  • 1
  • Activity coefficient - 10 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 10; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 11
  • 1
  • Activity coefficient - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 11; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 12
  • 1
  • Activity coefficient - 12 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 12; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 13
  • 1
  • Activity coefficient - 13 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 13; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 14
  • 1
  • Activity coefficient - 14 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 14; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 15
  • 1
  • Activity coefficient - 15 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 15; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 16
  • 1
  • Activity coefficient - 16 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 16; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 17
  • 1
  • Activity coefficient - 17 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 17; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 18
  • 1
  • Activity coefficient - 18 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 18; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 19
  • 1
  • Activity coefficient - 19 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 19; Liquid
  • Liquid
  • Chromatography
  • 8
  • POMD
  • 20
  • 1
  • Activity coefficient - 20 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 20; Liquid
  • Liquid
  • Chromatography
  • 8
  • POMD
  • 21
  • 1
  • Activity coefficient - 21 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 21; Liquid
  • Liquid
  • Chromatography
  • 8
  • POMD
  • 22
  • 1
  • Activity coefficient - 22 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 22; Liquid
  • Liquid
  • Chromatography
  • 8
  • POMD
  • 23
  • 1
  • Activity coefficient - 23 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 23; Liquid
  • Liquid
  • Chromatography
  • 8
  • POMD
  • 24
  • 1
  • Activity coefficient - 24 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 24; Liquid
  • Liquid
  • Chromatography
  • 8
  • POMD
  • 25
  • 1
  • Activity coefficient - 25 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 8
  • POMD
  • 26
  • 1
  • Activity coefficient - 26 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 26; Liquid
  • Liquid
  • Chromatography
  • 8
  • POMD
  • 27
  • 1
  • Activity coefficient - 27 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 27; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 28
  • 1
  • Activity coefficient - 28 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 28; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 29
  • 1
  • Activity coefficient - 29 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 29; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 30
  • 1
  • Activity coefficient - 30 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 30; Liquid
  • Liquid
  • Chromatography
  • 5