Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Activity coefficients at infinite dilution of organic solutes in the ionic liquid 1-ethyl-3-methylimidazolium methanesulfonate

Blahut, A.[Ales], Sobota, M.[Marek], Dohnal, V.[Vladimir], Vrbka, P.[Pavel]
Fluid Phase Equilib. 2010, 299, 2, 198-206
ABSTRACT
Infinite dilution activity coefficients and gas-liquid partition coefficients K_L of 30 selected hydrocarbons, alcohols, ketones, ethers, esters, haloalkanes, nitrogen- and sulphurcontaining compounds in the ionic liquid (IL) 1-ethyl-3-methylimidazolium methanesulfonate [EMIM][MeSO3] were determined by gas-liquid chromatography at five temperatures in the range from (318.15 to 353.15) K. Relative contribution of adsorption at gas-liquid interphase to the overall solute retention, as examined by varying sample size and IL loading in the column, was found negligible. Partial molar excess enthalpies and entropies at infinite dilution were derived from the temperature dependence of the infinite dilution activity coefficient values. The Linear Free Energy Relationship (LFER) solvation model was used to correlate successfully the L_K values. The LFER correlation parameters and excess thermodynamic functions were analyzed to disclose molecular interactions operating between the IL and the individual solutes. Comparison to [EMIM][NO3] studied previously revealed [MeSO3]- anion to have still greater hydrogen bond basicity than that found for [NO3]-. In addition, similarly to [EMIM][NO3], promising potential of [EMIM][MeSO3] for applications in solvent-aided separation processes was identified, the selectivities of [EMIM][MeSO3] for separation of aromatic hydrocarbons and thiophene from saturated hydrocarbons ranking among the highest ever observed with ILs or molecular solvents.
Compounds
# Formula Name
1 C7H14N2O3S 1-ethyl-3-methylimidazolium methanesulfonate
2 C7H16 heptane
3 C8H18 octane
4 C8H16 oct-1-ene
5 C6H12 cyclohexane
6 C7H14 methylcyclohexane
7 C8H16 ethylcyclohexane
8 C6H6 benzene
9 C7H8 toluene
10 C8H10 ethylbenzene
11 C8H10 1,3-dimethylbenzene
12 CH4O methanol
13 C2H6O ethanol
14 C3H8O propan-1-ol
15 C3H8O propan-2-ol
16 C4H10O2 1,2-dimethoxyethane
17 C6H14O diisopropyl ether
18 C5H12O 2-methoxy-2-methylpropane
19 C4H8O tetrahydrofuran
20 C3H6O2 methyl ethanoate
21 C4H8O2 ethyl acetate
22 C3H6O acetone
23 C4H8O butanone
24 C3H6O3 dimethyl carbonate
25 CH2Cl2 dichloromethane
26 CHCl3 trichloromethane
27 C2HBrClF3 1-bromo-1-chloro-2,2,2-trifluoroethane
28 CCl4 tetrachloromethane
29 CH3NO2 nitromethane
30 C2H3N acetonitrile
31 C4H4S thiophene
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
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 3
  • 1
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 4
  • 1
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 5
  • 1
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 6
  • 1
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 7
  • 1
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 7; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 8
  • 1
  • Activity coefficient - 8 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 8; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 9
  • 1
  • Activity coefficient - 9 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 10
  • 1
  • Activity coefficient - 10 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 10; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 11
  • 1
  • Activity coefficient - 11 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 11; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 12
  • 1
  • Activity coefficient - 12 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 12; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 13
  • 1
  • Activity coefficient - 13 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 13; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 14
  • 1
  • Activity coefficient - 14 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 14; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 15
  • 1
  • Activity coefficient - 15 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 15; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 16
  • 1
  • Activity coefficient - 16 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 16; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 17
  • 1
  • Activity coefficient - 17 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 17; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 18
  • 1
  • Activity coefficient - 18 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 18; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 19
  • 1
  • Activity coefficient - 19 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 19; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 20
  • 1
  • Activity coefficient - 20 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 20; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 21
  • 1
  • Activity coefficient - 21 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 21; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 22
  • 1
  • Activity coefficient - 22 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 22; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 23
  • 1
  • Activity coefficient - 23 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 23; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 24
  • 1
  • Activity coefficient - 24 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 24; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 25
  • 1
  • Activity coefficient - 25 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 25; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 26
  • 1
  • Activity coefficient - 26 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 26; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 27
  • 1
  • Activity coefficient - 27 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 27; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 28
  • 1
  • Activity coefficient - 28 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 28; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 29
  • 1
  • Activity coefficient - 29 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 29; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 30
  • 1
  • Activity coefficient - 30 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 30; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 31
  • 1
  • Activity coefficient - 31 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 31; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5