2
0
2017
xu
liu
0
journal
Original
Xu, X.[Xicai]
Liu, W.[Wei]
Li, M.[Min]
Ri, Y.[Yongsaeng]
Wang, Y.[Yinglong]
J. Chem. Eng. Data
2017
2020-09-29
Ternary Liquid Liquid Equilibrium of Azeotropes (Ester + Alcohol) with Different Ionic Liquids at T = 298.15 K
The liquid liquid equilibrium (LLE) for ternary systems of n-propyl acetate (PAC) + 1-propanol (NPA) + 1-butyl-3-methylimidazolium hexafluorophosphate ([Bmim][PF6]) or 1-hexyl-3-methylimidazolium hexafluorophosphate ([Hmim][PF6]) and n-butyl acetate (NBAC) + n-butanol (NBA) + [Bmim][PF6] or [Hmim][PF6] were measured at 298.15 K and 101.325 kPa. All the studied systems containing ionic liquids (ILs) show Treybal type I behavior of the LLE. The solute distribution coefficient (a) and the selectivity (S) were used to investigate the effect of the number of carbon atoms of ionic liquids cation, esters, and alcohols of ionic liquids on the liquid-liquid phase behavior for ester-alcohol-ILs. The measured data were correlated using both the NRTL model and UNIQUAC model. Results indicate that all these systems can be correlated with reasonable accuracy by using both the NRTL model and UNIQUAC model.
Ionic liquids
Alcohol
Ester
Liquid-liquid equilibrium
NRTL
UNIQUAC
10.1021/acs.jced.6b00811
1
62
532-538
1
InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
BDERNNFJNOPAEC-UHFFFAOYSA-N
propan-1-ol
1-propanol
n-propanol
n-propyl alcohol
C3H8O
1
Commercial source
1
99.5
3
Stated by supplier
2
InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
YKYONYBAUNKHLG-UHFFFAOYSA-N
propyl ethanoate
acetic acid, propyl ester
ethanoic acid, propyl ester
n-propyl acetate
propyl acetate
C5H10O2
1
Commercial source
1
99.5
3
Stated by supplier
3
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
LRHPLDYGYMQRHN-UHFFFAOYSA-N
butan-1-ol
1-butanol
n-butanol
n-butyl alcohol
C4H10O
1
Commercial source
1
99.5
3
Stated by supplier
4
InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
DKPFZGUDAPQIHT-UHFFFAOYSA-N
butyl ethanoate
acetic acid, butyl ester
butyl acetate
ethanoic acid, butyl ester
n-butyl acetate
C6H12O2
1
Commercial source
1
99.5
3
Stated by supplier
5
InChI=1S/C8H15N2.F6P/c1-3-4-5-10-7-6-9(2)8-10;1-7(2,3,4,5)6/h6-8H,3-5H2,1-2H3;/q+1;-1
IXQYBUDWDLYNMA-UHFFFAOYSA-N
1-butyl-3-methylimidazolium hexafluorophosphate
1-butyl-3-methyl-1H-imidazol-3-ium hexafluorophosphate
1-butyl-3-methylimidazolium hexafluorophosphate [BMIM][PF6]
1-n-butyl-3-methylimidazolium hexafluorophosphate
1-n-butyl-3-methylimidazolium hexafluorophosphate [BMIM][PF6]
C8H15F6N2P
1
Commercial source
1
99
3
Stated by supplier
6
InChI=1S/C10H19N2.F6P/c1-3-4-5-6-7-12-9-8-11(2)10-12;1-7(2,3,4,5)6/h8-10H,3-7H2,1-2H3;/q+1;-1
YPWSSSRXUOQNMQ-UHFFFAOYSA-N
1-hexyl-3-methylimidazolium hexafluorophosphate
C10H19F6N2P
1
Commercial source
1
99
3
Stated by supplier
1
1
1
2
1
5
1
Principal objective of the work
EP
EP
12/13/2016
1
Mole fraction
Chromatography
1
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
2
Mole fraction
Chromatography
1
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
3
Mole fraction
Chromatography
2
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid mixture 1
Liquid mixture 2
1
Temperature, K
Liquid mixture 2
298.15
5
2
Pressure, kPa
Liquid mixture 2
100
1
1
Mole fraction
2
Liquid mixture 1
1
0
4
1
0.999
3
1
0.001
2
0.285
3
1
0.012
3
0
4
1
0.111
3
1
0.887
3
1
0.017
2
0.291
3
1
0.012
3
0.12
3
1
0.17
3
1
0.827
3
1
0.017
2
0.319
3
1
0.013
3
0.18
3
1
0.225
3
1
0.768
3
1
0.018
2
0.333
3
1
0.013
3
0.233
3
1
0.287
3
1
0.696
3
1
0.019
2
0.351
3
1
0.013
3
0.288
3
1
0.342
3
1
0.627
3
1
0.022
2
0.359
3
1
0.014
3
0.357
3
1
0.406
3
1
0.512
3
1
0.025
2
0.412
3
1
0.017
3
0.414
3
2
1
1
2
1
6
1
Principal objective of the work
EP
EP
12/13/2016
1
Mole fraction
Chromatography
2
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
2
Mole fraction
Chromatography
2
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
3
Mole fraction
Chromatography
1
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid mixture 1
Liquid mixture 2
1
Temperature, K
Liquid mixture 2
298.15
5
2
Pressure, kPa
Liquid mixture 2
100
1
1
Mole fraction
1
Liquid mixture 1
1
0.995
3
1
0
4
2
0
4
3
0.415
3
1
0.966
3
1
0.029
2
1
0.017
2
0.044
2
1
0.017
3
0.425
3
1
0.942
3
1
0.052
2
1
0.017
2
0.075
2
1
0.016
3
0.455
3
1
0.922
3
1
0.071
2
1
0.016
2
0.101
3
1
0.015
3
0.492
3
1
0.889
3
1
0.098
2
1
0.015
2
0.129
3
1
0.016
3
0.528
3
1
0.866
3
1
0.112
3
1
0.014
2
0.143
3
1
0.015
3
0.542
3
1
0.833
3
1
0.132
3
1
0.014
2
0.16
3
1
0.014
3
0.572
3
3
3
1
4
1
5
1
Principal objective of the work
EP
EP
12/13/2016
1
Mole fraction
Chromatography
3
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
2
Mole fraction
Chromatography
3
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
3
Mole fraction
Chromatography
4
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid mixture 1
Liquid mixture 2
1
Temperature, K
Liquid mixture 2
298.15
5
2
Pressure, kPa
Liquid mixture 2
100
1
1
Mole fraction
4
Liquid mixture 1
1
0
4
1
1
4
2
0.155
3
1
0.012
3
0
4
1
0.176
3
1
0.818
3
1
0.017
2
0.161
3
1
0.012
3
0.102
3
1
0.246
3
1
0.747
3
1
0.017
2
0.17
2
1
0.01
3
0.144
3
1
0.319
3
1
0.672
3
1
0.017
2
0.173
3
1
0.012
3
0.191
3
1
0.386
3
1
0.603
3
1
0.017
2
0.172
3
1
0.012
3
0.23
3
1
0.439
3
1
0.55
3
1
0.017
2
0.18
3
1
0.012
3
0.264
3
1
0.495
3
1
0.492
3
1
0.018
2
0.178
3
1
0.012
3
0.307
3
1
0.539
3
1
0.448
3
1
0.017
2
0.177
3
1
0.012
3
0.338
3
4
3
1
4
1
6
1
Principal objective of the work
BAE
BAE
11/29/2016
1
Mole fraction
Chromatography
3
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
2
Mole fraction
Chromatography
4
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
3
Mole fraction
Chromatography
3
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid mixture 2
Liquid mixture 1
1
Temperature, K
Liquid mixture 2
298.15
5
2
Pressure, kPa
Liquid mixture 2
100
1
1
Mole fraction
4
Liquid mixture 2
1
0
4
1
0.25
3
1
0.012
2
0
4
3
0.998
3
1
0.093
2
1
0.306
3
1
0.015
2
0.087
2
1
0.017
3
0.906
3
1
0.134
3
1
0.34
3
1
0.014
2
0.112
3
1
0.017
3
0.881
3
1
0.187
3
1
0.36
3
1
0.014
2
0.16
3
1
0.016
3
0.829
3
1
0.217
3
1
0.389
3
1
0.015
2
0.209
3
1
0.016
3
0.775
3
1
0.262
3
1
0.418
3
1
0.015
2
0.251
3
1
0.015
3
0.727
3
1
0.299
3
1
0.444
3
1
0.015
2
0.293
3
1
0.015
3
0.663
3
5
1
1
5
1
Principal objective of the work
EP
EP
12/1/2016
1
Mole fraction
Chromatography
1
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid mixture 2
Liquid mixture 1
1
Temperature, K
Liquid mixture 2
2
Pressure, kPa
Liquid mixture 2
1
298.15
5
2
100
1
1
0.285
3
1
0.012
6
1
1
5
1
Principal objective of the work
EP
EP
12/1/2016
1
Mole fraction
Chromatography
1
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid mixture 1
Liquid mixture 2
1
Temperature, K
Liquid mixture 2
2
Pressure, kPa
Liquid mixture 2
1
298.15
5
2
100
1
1
0.999
3
1
0.001
7
1
1
6
1
Principal objective of the work
EP
EP
12/1/2016
1
Mole fraction
Chromatography
1
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid mixture 2
Liquid mixture 1
1
Temperature, K
Liquid mixture 2
2
Pressure, kPa
Liquid mixture 2
1
298.15
5
2
100
1
1
0.415
3
1
0.012
8
1
1
6
1
Principal objective of the work
EP
EP
12/1/2016
1
Mole fraction
Chromatography
1
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid mixture 1
Liquid mixture 2
1
Temperature, K
Liquid mixture 2
2
Pressure, kPa
Liquid mixture 2
1
298.15
5
2
100
1
1
0.995
3
1
0.005
9
3
1
5
1
Principal objective of the work
EP
EP
12/13/2016
1
Mole fraction
Chromatography
3
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid mixture 2
Liquid mixture 1
1
Temperature, K
Liquid mixture 2
2
Pressure, kPa
Liquid mixture 2
1
298.15
5
2
100
1
1
0.155
3
1
0.012
10
3
1
6
1
Principal objective of the work
EP
EP
12/13/2016
1
Mole fraction
Chromatography
3
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid mixture 2
Liquid mixture 1
1
Temperature, K
Liquid mixture 2
2
Pressure, kPa
Liquid mixture 2
1
298.15
5
2
100
1
1
0.25
3
1
0.012
11
3
1
6
1
Principal objective of the work
EP
EP
12/1/2016
1
Mole fraction
Chromatography
3
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid mixture 1
Liquid mixture 2
1
Temperature, K
Liquid mixture 2
2
Pressure, kPa
Liquid mixture 2
1
298.15
5
2
100
1
1
0.998
3
1
0.002