Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamics and activity coefficients at infinite dilution for organic compounds and water in the ionic liquid 1-butyl-3-methylimidazolium perchlorate

Chen, J.-Y.[Jin-Yuan], Jiang, H.-X.[Hong-Xu], Liu, J.-L.[Jun-Ling], Jia, H.-X.[Hai-Xia], Jiao, Y.-H.[Yu-Hai], Ge, M.-L.[Ming-Lan], Kang, R.-X.[Rong-Xue], Peng, X.-M.[Xiao-Ming], Xiong, J.-M.[Jie-Ming]
J. Chem. Thermodyn. 2017, 115, 12-18
ABSTRACT
Activity coefficients at infinite dilution (c1 i ) and (gas liquid) partition coefficients (KL) for organic compounds (alkanes, alkenes, alkyl benzenes, acetonitrile, acetone, tetrahydrofuran, ethyl acetate, 1,4- dioxane, chloromethanes, and alcohols) and water in the ionic liquid (IL) 1-butyl-3-methylimidazolium perchlorate ([BMIM][ClO4]) have been measured by the (gas-liquid) chromatographic method in the temperature range of (303.15 353.15) K. Density, q as a function of temperature for [BMIM][ClO4] at pressure p = 101.3 kPa were measured. The values of the partial molar excess enthalpies at infinite dilution ( HE;1 i ) were derived from the temperature dependence of the c1 i values. The entropies (Tref SE;1 i ) and Gibbs free energies ( GE;1 i ) of organic solutes in [BMIM][ClO4] at a reference temperature Tref = 298.15 K were also calculated from the c1 i values. The Hildebrand s solubility parameters of the IL [BMIM][ClO4] were also determined by the regular solution theory (RST) combined with Flory combinatorial equation. Selectivity (S1 ij ) and capacity (k1 j ) at infinite dilution at 323.15 K have been determined for nhexane (i)/benzene (j), cyclohexane (i)/benzene (j)). The results were analyzed in comparison to literature values for 1-buthyl-3-methylimidazolium-based ionic liquids (ILs) for the same separation problems. For three isomeric xylenes separation problems, selectivity at 323.15 K were also obtained from the c1 i values.
Compounds
# Formula Name
1 C6H14 hexane
2 C8H15ClN2O4 1-butyl-3-methylimidazolium perchlorate
3 C7H16 heptane
4 C8H18 octane
5 C9H20 nonane
6 C10H22 decane
7 C6H12 cyclohexane
8 C7H14 methylcyclohexane
9 C8H18 2,2,4-trimethylpentane
10 C6H10 cyclohexene
11 C8H8 styrene
12 C6H6 benzene
13 C7H8 toluene
14 C8H10 ethylbenzene
15 C8H10 1,2-dimethylbenzene
16 C8H10 1,3-dimethylbenzene
17 C8H10 1,4-dimethylbenzene
18 C2H3N acetonitrile
19 C3H6O acetone
20 C4H8O tetrahydrofuran
21 C4H8O2 ethyl acetate
22 C4H8O2 1,4-dioxane
23 H2O water
24 CH2Cl2 dichloromethane
25 CHCl3 trichloromethane
26 CCl4 tetrachloromethane
27 CH4O methanol
28 C2H6O ethanol
29 C3H8O propan-1-ol
30 C3H8O propan-2-ol
31 C4H10O butan-1-ol
32 C4H10O 2-methyl-1-propanol
33 C4H10O butan-2-ol
34 C5H12O pentan-1-ol
35 C5H12O 3-methylbutan-1-ol
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
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 6
  • POMD
  • 2
  • 1
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 2
  • 3
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 2
  • 4
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 2
  • 5
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 2
  • 6
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 2
  • 7
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 7; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 2
  • 8
  • Activity coefficient - 8 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 8; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 2
  • 9
  • Activity coefficient - 9 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 9; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 2
  • 10
  • Activity coefficient - 10 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 10; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 2
  • 11
  • Activity coefficient - 11 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 11; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 2
  • 12
  • Activity coefficient - 12 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 12; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 2
  • 13
  • Activity coefficient - 13 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 13; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 2
  • 14
  • Activity coefficient - 14 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 14; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 2
  • 15
  • Activity coefficient - 15 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 15; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 2
  • 16
  • Activity coefficient - 16 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 16; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 2
  • 17
  • Activity coefficient - 17 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 17; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 2
  • 18
  • Activity coefficient - 18 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 18; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 2
  • 19
  • Activity coefficient - 19 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 19; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 2
  • 20
  • Activity coefficient - 20 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 20; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 2
  • 21
  • Activity coefficient - 21 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 21; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 2
  • 22
  • Activity coefficient - 22 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 22; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 2
  • 23
  • Activity coefficient - 23 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 23; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 2
  • 24
  • Activity coefficient - 24 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 24; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 2
  • 25
  • Activity coefficient - 25 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 25; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 2
  • 26
  • Activity coefficient - 26 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 26; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 2
  • 27
  • Activity coefficient - 27 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 27; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 2
  • 28
  • Activity coefficient - 28 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 28; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 2
  • 29
  • Activity coefficient - 29 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 29; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 2
  • 30
  • Activity coefficient - 30 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 30; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 2
  • 31
  • Activity coefficient - 31 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 31; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 2
  • 32
  • Activity coefficient - 32 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 32; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 2
  • 33
  • Activity coefficient - 33 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 33; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 2
  • 34
  • Activity coefficient - 34 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 34; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 2
  • 35
  • Activity coefficient - 35 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 35; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 3