Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamics and selectivity of separation based on activity coefficients at infinite dilution of various solutes in 1-allyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide ionic liquid

Wlazlo, M.[Michal], Karpinska, M.[Monika], Domanska, U.[Urszula]
J. Chem. Thermodyn. 2016, 102, 39-47
ABSTRACT
The effect of interaction between organic solvents or water on the interfacial and bulk properties of 1-allyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide ([AMIM][NTf2]) and on activity coefficients (c1 13) at infinite dilution for 64 solutes. The observations monitored by gas-liquid chromatography at six temperatures in range of (318.15 368.15) K are explained for polar and non-polar solutes as alkanes, alkenes and alkynes as well as aromatic hydrocarbons, alcohols, water, ethers, ketones, acetonitrile, pyridine, 1-nitropropane, thiophene, and esters. Density, q and viscosity g as a function of temperature, T for chosen ionic liquid, [AMIM][NTf2] at pressure p = 101 kPa were measured. The gas-liquid partition coefficients, KL at infinite dilution and the fundamental thermodynamic functions, the partial molar excess Gibbs energy, enthalpy and entropy at infinite dilution were calculated. The values of selectivity and capacity for three separation problems as hexane/hex-1-ene, cyclohexane/cyclohexene and ethylbenzene/ styrene were calculated from c1 13 and compared to literature values for imidazolium-based or bis{(trifluoromethyl)sulfonyl}imide-based ionic liquids (ILs) for the same separation problems. The data presented here show that [AMIM][NTf2] reveals average selectivity in the comparison to measured earlier ILs in the chosen separation problems. These findings seem useful for future applications of ILs especially for alkanes/alkenes separation process.
Compounds
# Formula Name
1 C9H11F6N3O4S2 1-allyl-3-methyl-1H-imidazolium bis((trifluoromethyl)sulfonyl)amide
2 C6H14 hexane
3 C6H14 3-methylpentane
4 C6H14 2,2-dimethylbutane
5 C7H16 heptane
6 C8H18 octane
7 C8H18 2,2,4-trimethylpentane
8 C9H20 nonane
9 C10H22 decane
10 C5H10 cyclopentane
11 C6H12 cyclohexane
12 C7H14 methylcyclohexane
13 C7H14 cycloheptane
14 C8H16 cyclooctane
15 C5H10 1-pentene
16 C6H12 hex-1-ene
17 C6H10 cyclohexene
18 C7H14 1-heptene
19 C8H16 oct-1-ene
20 C10H20 1-decene
21 C5H8 1-pentyne
22 C6H10 1-hexyne
23 C7H12 1-heptyne
24 C8H14 1-octyne
25 C6H6 benzene
26 C7H8 toluene
27 C8H10 ethylbenzene
28 C8H10 1,2-dimethylbenzene
29 C8H10 1,3-dimethylbenzene
30 C8H10 1,4-dimethylbenzene
31 C9H12 propylbenzene
32 C9H12 isopropylbenzene
33 C8H8 styrene
34 C9H10 (1-methylethenyl)benzene
35 C4H4S thiophene
36 C5H5N pyridine
37 CH4O methanol
38 C2H6O ethanol
39 C3H8O propan-1-ol
40 C3H8O propan-2-ol
41 C4H10O butan-1-ol
42 C4H10O butan-2-ol
43 C4H10O 2-methyl-1-propanol
44 C4H10O 2-methylpropan-2-ol
45 C5H12O pentan-1-ol
46 H2O water
47 C3H6O2 methyl ethanoate
48 C4H8O2 methyl propanoate
49 C5H10O2 methyl butanoate
50 C4H8O2 ethyl acetate
51 C4H8O tetrahydrofuran
52 C4H8O2 1,4-dioxane
53 C5H12O 2-methoxy-2-methylpropane
54 C6H14O 2-ethoxy-2-methylpropane
55 C6H14O 2-methoxy-2-methylbutane
56 C4H10O diethyl ether
57 C6H14O dipropyl ether
58 C6H14O diisopropyl ether
59 C8H18O dibutyl ether
60 C3H6O acetone
61 C5H10O pentan-2-one
62 C5H10O pentan-3-one
63 C4H8O butanal
64 C2H3N acetonitrile
65 C3H7NO2 1-nitropropane
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
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 15
  • POMD
  • 1
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 8
  • POMD
  • 2
  • 1
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 3
  • 1
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 4
  • 1
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 5
  • 1
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 6
  • 1
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 7
  • 1
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 7; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 8
  • 1
  • Activity coefficient - 8 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 8; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 9
  • 1
  • Activity coefficient - 9 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 9; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 10
  • 1
  • Activity coefficient - 10 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 10; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 11
  • 1
  • Activity coefficient - 11 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 11; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 12
  • 1
  • Activity coefficient - 12 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 12; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 13
  • 1
  • Activity coefficient - 13 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 13; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 14
  • 1
  • Activity coefficient - 14 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 14; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 15
  • 1
  • Activity coefficient - 15 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 15; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 16
  • 1
  • Activity coefficient - 16 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 16; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 17
  • 1
  • Activity coefficient - 17 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 17; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 18
  • 1
  • Activity coefficient - 18 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 18; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 19
  • 1
  • Activity coefficient - 19 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 19; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 20
  • 1
  • Activity coefficient - 20 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 20; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 21
  • 1
  • Activity coefficient - 21 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 21; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 22
  • 1
  • Activity coefficient - 22 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 22; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 23
  • 1
  • Activity coefficient - 23 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 23; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 24
  • 1
  • Activity coefficient - 24 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 24; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 25
  • 1
  • Activity coefficient - 25 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 25; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 26
  • 1
  • Activity coefficient - 26 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 26; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 27
  • 1
  • Activity coefficient - 27 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 27; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 28
  • 1
  • Activity coefficient - 28 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 28; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 29
  • 1
  • Activity coefficient - 29 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 29; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 30
  • 1
  • Activity coefficient - 30 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 30; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 31
  • 1
  • Activity coefficient - 31 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 31; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 32
  • 1
  • Activity coefficient - 32 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 32; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 33
  • 1
  • Activity coefficient - 33 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 33; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 34
  • 1
  • Activity coefficient - 34 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 34; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 35
  • 1
  • Activity coefficient - 35 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 35; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 36
  • 1
  • Activity coefficient - 36 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 36; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 37
  • 1
  • Activity coefficient - 37 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 37; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 38
  • 1
  • Activity coefficient - 38 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 38; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 39
  • 1
  • Activity coefficient - 39 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 39; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 40
  • 1
  • Activity coefficient - 40 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 40; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 41
  • 1
  • Activity coefficient - 41 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 41; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 42
  • 1
  • Activity coefficient - 42 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 42; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 43
  • 1
  • Activity coefficient - 43 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 43; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 44
  • 1
  • Activity coefficient - 44 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 44; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 45
  • 1
  • Activity coefficient - 45 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 45; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 46
  • 1
  • Activity coefficient - 46 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 46; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 47
  • 1
  • Activity coefficient - 47 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 47; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 48
  • 1
  • Activity coefficient - 48 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 48; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 49
  • 1
  • Activity coefficient - 49 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 49; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 50
  • 1
  • Activity coefficient - 50 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 50; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 51
  • 1
  • Activity coefficient - 51 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 51; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 52
  • 1
  • Activity coefficient - 52 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 52; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 53
  • 1
  • Activity coefficient - 53 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 53; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 54
  • 1
  • Activity coefficient - 54 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 54; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 55
  • 1
  • Activity coefficient - 55 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 55; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 56
  • 1
  • Activity coefficient - 56 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 56; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 57
  • 1
  • Activity coefficient - 57 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 57; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 58
  • 1
  • Activity coefficient - 58 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 58; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 59
  • 1
  • Activity coefficient - 59 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 59; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 60
  • 1
  • Activity coefficient - 60 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 60; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 61
  • 1
  • Activity coefficient - 61 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 61; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 62
  • 1
  • Activity coefficient - 62 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 62; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 63
  • 1
  • Activity coefficient - 63 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 63; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 64
  • 1
  • Activity coefficient - 64 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 64; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6
  • POMD
  • 65
  • 1
  • Activity coefficient - 65 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 65; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Chromatography
  • 6