Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Measurements of activity coefficients at infinite dilution for organic solutes and water in the ionic liquid 1-ethyl-3-methylimidazolium methanesulfonate

Domanska, U.[Urszula], Krolikowski, M.[Marek]
J. Chem. Thermodyn. 2012, 54, 20-27
ABSTRACT
The activity coefficients at infinite dilution for 43 solutes, including alkanes, cycloalkanes, alkenes, alkynes, aromatic hydrocarbons, alcohols, water, thiophene, ethers, ketones, acetonitrile, pyridine, and 1-nitropropane in the ionic liquid 1-ethyl-3-methylimidazolium methanesulfonate [EMIM][MeSO3] were determined by gas-liquid chromatography at six temperatures within the range (308.15 to 358.15) K. The interaction of these 42 organic compounds and water with the ionic liquid were described with the partial molar excess Gibbs free energy, enthalpy and entropy at infinite dilution, calculated from the experimental activity coefficient at infinite dilution values obtained over the temperature range. The gas-liquid partition coefficients were calculated for all solutes. The values of the selectivity for few separation problems as heptane/toluene, cyclohexane/benzene, heptane/xylenes and heptane/thiophene were calculated from activity coefficients at infinite dilution and compared to literature values for N-methyl-2-pyrrolidinone (NMP), sulfolane, and other ionic liquids based on [EMIM]+ cation. Comparison with the results published earlier for [EMIM][MeSO3] show much lower selectivities in the discussed separation problems. By contrast with the former measured ILs [EMIM][MeSO3] reveals the average selectivity for the separation of aromatics/aliphatics and low capacity for benzene. An interesting high value of selectivity was observed in the separation of thiophene/ aliphatics. Very high values of selectivity may be expected in the separation of the azeotropic systems including water. The density of [EMIM][MeSO3] within temperature range from (298.15 to 358.15) K was measured and compared to the literature values.
Compounds
# Formula Name
1 C7H16 heptane
2 C8H18 octane
3 C9H20 nonane
4 C10H22 decane
5 C5H10 cyclopentane
6 C6H12 cyclohexane
7 C7H14 cycloheptane
8 C8H16 cyclooctane
9 C6H12 hex-1-ene
10 C7H14 1-heptene
11 C8H16 oct-1-ene
12 C10H20 1-decene
13 C6H10 1-hexyne
14 C7H12 1-heptyne
15 C8H14 1-octyne
16 C6H6 benzene
17 C7H8 toluene
18 C8H10 ethylbenzene
19 C8H10 1,2-dimethylbenzene
20 C8H10 1,3-dimethylbenzene
21 C8H10 1,4-dimethylbenzene
22 C8H8 styrene
23 C9H10 (1-methylethenyl)benzene
24 CH4O methanol
25 C2H6O ethanol
26 C3H8O propan-1-ol
27 H2O water
28 C4H4S thiophene
29 C4H8O tetrahydrofuran
30 C4H8O2 1,4-dioxane
31 C5H12O 2-methoxy-2-methylpropane
32 C6H14O 2-methoxy-2-methylbutane
33 C6H14O 2-ethoxy-2-methylpropane
34 C4H10O diethyl ether
35 C6H14O dipropyl ether
36 C6H14O diisopropyl ether
37 C8H18O dibutyl ether
38 C3H6O acetone
39 C5H10O pentan-2-one
40 C5H10O pentan-3-one
41 C2H3N acetonitrile
42 C5H5N pyridine
43 C3H7NO2 1-nitropropane
44 C7H14N2O3S 1-ethyl-3-methylimidazolium methanesulfonate
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
  • 44
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 7
  • POMD
  • 1
  • 44
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 2
  • 44
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 3
  • 44
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 4
  • 44
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 5
  • 44
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 6
  • 44
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 7
  • 44
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 7; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 8
  • 44
  • Activity coefficient - 8 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 8; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 9
  • 44
  • Activity coefficient - 9 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 10
  • 44
  • Activity coefficient - 10 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 10; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 11
  • 44
  • Activity coefficient - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 11; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 12
  • 44
  • Activity coefficient - 12 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 12; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 13
  • 44
  • Activity coefficient - 13 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 13; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 14
  • 44
  • Activity coefficient - 14 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 14; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 15
  • 44
  • Activity coefficient - 15 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 15; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 16
  • 44
  • Activity coefficient - 16 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 16; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 17
  • 44
  • Activity coefficient - 17 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 17; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 18
  • 44
  • Activity coefficient - 18 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 18; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 19
  • 44
  • Activity coefficient - 19 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 19; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 20
  • 44
  • Activity coefficient - 20 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 20; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 21
  • 44
  • Activity coefficient - 21 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 21; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 22
  • 44
  • Activity coefficient - 22 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 22; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 23
  • 44
  • Activity coefficient - 23 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 23; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 24
  • 44
  • Activity coefficient - 24 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 24; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 25
  • 44
  • Activity coefficient - 25 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 26
  • 44
  • Activity coefficient - 26 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 26; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 27
  • 44
  • Activity coefficient - 27 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 27; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 28
  • 44
  • Activity coefficient - 28 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 28; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 29
  • 44
  • Activity coefficient - 29 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 29; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 30
  • 44
  • Activity coefficient - 30 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 30; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 31
  • 44
  • Activity coefficient - 31 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 31; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 32
  • 44
  • Activity coefficient - 32 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 32; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 33
  • 44
  • Activity coefficient - 33 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 33; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 34
  • 44
  • Activity coefficient - 34 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 34; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 35
  • 44
  • Activity coefficient - 35 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 35; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 36
  • 44
  • Activity coefficient - 36 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 36; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 37
  • 44
  • Activity coefficient - 37 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 37; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 38
  • 44
  • Activity coefficient - 38 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 38; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 39
  • 44
  • Activity coefficient - 39 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 39; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 40
  • 44
  • Activity coefficient - 40 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 40; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 41
  • 44
  • Activity coefficient - 41 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 41; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 42
  • 44
  • Activity coefficient - 42 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 42; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 43
  • 44
  • Activity coefficient - 43 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 43; Liquid
  • Liquid
  • Chromatography
  • 6