Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

The study of activity coefficients at infinite dilution for organic solutes and water in 1-butyl-4-methylpyridinium dicyanamide, [B4MPy][DCA] using GLC

Krolikowski, M.[Marek], Krolikowski, M.[Marta]
J. Chem. Thermodyn. 2014, 68, 138-144
ABSTRACT
The main aim of this paper is to investigate the possibility of using ionic liquid as a solvent for the separation processes, especially for extraction of azeotropic mixtures i.e. aliphatic from aromatic hydrocarbons. The first step in assessing the ability of selective extraction is to determine the selectivity based on measurements of activity coefficients at infinite dilution. In this work new data of the activity coefficients at infinite dilution for 53 solutes including: alkanes, alk-1-enes, alk-1-ynes, cycloalkanes, aromatic hydrocarbons, alcohols, thiophene, ethers, ketones, acetonitrile, pyridine, 1-nitropropane and water in the ionic liquid: 1-butyl-4-methylpyridinium dicyanamide, [B4MPy][DCA] were determined using GLC technique at wide temperature range from (308.15 to 368.15) K. From the temperature dependence of gamma13 the partial molar excess Gibbs free energies, DGE1 , enthalpies DHE1 and entropies TrefDSE1 at infinite dilution were calculated. Additionally the (gas + liquid) partition coefficients, KL were determined. The selectivities for the many separation problems were calculated and compared to the values from the recent literature for other ionic liquids. The densities of pure ionic liquid were determined over a wide temperature range from (308.15 to 368.15) K.
Compounds
# Formula Name
1 C6H14 hexane
2 C6H14 3-methylpentane
3 C6H14 2,2-dimethylbutane
4 C7H16 heptane
5 C8H18 octane
6 C8H18 2,2,4-trimethylpentane
7 C9H20 nonane
8 C10H22 decane
9 C5H10 cyclopentane
10 C6H12 cyclohexane
11 C7H14 methylcyclohexane
12 C7H14 cycloheptane
13 C8H16 cyclooctane
14 C5H10 1-pentene
15 C6H12 hex-1-ene
16 C6H10 cyclohexene
17 C7H14 1-heptene
18 C8H16 oct-1-ene
19 C10H20 1-decene
20 C5H8 1-pentyne
21 C6H10 1-hexyne
22 C7H12 1-heptyne
23 C8H14 1-octyne
24 C6H6 benzene
25 C7H8 toluene
26 C8H10 ethylbenzene
27 C8H10 1,2-dimethylbenzene
28 C8H10 1,3-dimethylbenzene
29 C8H10 1,4-dimethylbenzene
30 C8H8 styrene
31 C9H10 (1-methylethenyl)benzene
32 C2H6O ethanol
33 C3H8O propan-1-ol
34 C4H10O butan-1-ol
35 H2O water
36 C4H4S thiophene
37 C4H8O tetrahydrofuran
38 C4H8O2 1,4-dioxane
39 C5H12O 2-methoxy-2-methylpropane
40 C6H14O 2-ethoxy-2-methylpropane
41 C6H14O 2-methoxy-2-methylbutane
42 C4H10O diethyl ether
43 C6H14O dipropyl ether
44 C8H18O dibutyl ether
45 C3H6O acetone
46 C5H10O pentan-2-one
47 C5H10O pentan-3-one
48 C6H12O 2-hexanone
49 C6H10O cyclohexanone
50 C2H3N acetonitrile
51 C5H5N pyridine
52 C3H7NO2 1-nitropropane
53 C12H16N4 1-butyl-3-methylpyridinium dicyanamide
54 C6H12O 3-hexanone
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
  • 53
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 6
  • POMD
  • 1
  • 53
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 2
  • 53
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 3
  • 53
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 4
  • 53
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 5
  • 53
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 6
  • 53
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 7
  • 53
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 7; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 8
  • 53
  • Activity coefficient - 8 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 8; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 9
  • 53
  • Activity coefficient - 9 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 10
  • 53
  • Activity coefficient - 10 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 10; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 11
  • 53
  • Activity coefficient - 11 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 11; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 12
  • 53
  • Activity coefficient - 12 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 12; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 13
  • 53
  • Activity coefficient - 13 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 13; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 14
  • 53
  • Activity coefficient - 14 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 14; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 15
  • 53
  • Activity coefficient - 15 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 15; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 16
  • 53
  • Activity coefficient - 16 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 16; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 17
  • 53
  • Activity coefficient - 17 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 17; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 18
  • 53
  • Activity coefficient - 18 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 18; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 19
  • 53
  • Activity coefficient - 19 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 19; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 20
  • 53
  • Activity coefficient - 20 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 20; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 21
  • 53
  • Activity coefficient - 21 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 21; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 22
  • 53
  • Activity coefficient - 22 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 22; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 23
  • 53
  • Activity coefficient - 23 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 23; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 24
  • 53
  • Activity coefficient - 24 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 24; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 25
  • 53
  • Activity coefficient - 25 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 25; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 26
  • 53
  • Activity coefficient - 26 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 26; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 27
  • 53
  • Activity coefficient - 27 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 27; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 29
  • 53
  • Activity coefficient - 29 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 29; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 28
  • 53
  • Activity coefficient - 28 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 28; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 30
  • 53
  • Activity coefficient - 30 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 30; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 31
  • 53
  • Activity coefficient - 31 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 31; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 32
  • 53
  • Activity coefficient - 32 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 32; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 33
  • 53
  • Activity coefficient - 33 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 33; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 34
  • 53
  • Activity coefficient - 34 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 34; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 35
  • 53
  • Activity coefficient - 35 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 35; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 36
  • 53
  • Activity coefficient - 36 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 36; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 37
  • 53
  • Activity coefficient - 37 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 37; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 38
  • 53
  • Activity coefficient - 38 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 38; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 39
  • 53
  • Activity coefficient - 39 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 39; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 40
  • 53
  • Activity coefficient - 40 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 40; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 41
  • 53
  • Activity coefficient - 41 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 41; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 42
  • 53
  • Activity coefficient - 42 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 42; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 43
  • 53
  • Activity coefficient - 43 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 43; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 44
  • 53
  • Activity coefficient - 44 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 44; Liquid
  • Liquid
  • Chromatography
  • 7
  • POMD
  • 45
  • 53
  • Activity coefficient - 45 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 45; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 46
  • 53
  • Activity coefficient - 46 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 46; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 47
  • 53
  • Activity coefficient - 47 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 47; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 48
  • 53
  • Activity coefficient - 48 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 48; Liquid
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 49
  • 53
  • Activity coefficient - 49 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 49; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 50
  • 53
  • Activity coefficient - 50 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 50; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 51
  • 53
  • Activity coefficient - 51 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 51; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 52
  • 53
  • Activity coefficient - 52 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 52; Liquid
  • Liquid
  • Chromatography
  • 4
  • POMD
  • 54
  • 53
  • Activity coefficient - 54 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 54; Liquid
  • Liquid
  • Chromatography
  • 4