2
0
2017
zaf
she
0
journal
Original
Zafarani-Moattar, M. T.[Mohammed Taghi]
Shekaari, H.[Hemayat]
Agha, E. M. H.[Elnaz Mazaher Haji]
J. Chem. Thermodyn.
2017
2020-09-29
Effect of ionic liquids, 1-butyl-3-methyl imidazolium bromide and 1-hexyl-3-methyl imidazolium bromide on the vapour - Liquid equilibria of the aqueous D-fructose solutions at 298.15 K and atmospheric pressure using isopiestic method
In this study, water activity measurements have been carried out by the isopiestic method for the systems (D-fructose + 1-butyl-3-methyl imidazolium bromide + H2O) and (D-fructose + 1-hexyl-3-methyl imidazolium bromide + H2O) at 298.15 K and atmospheric pressure. Vapour pressures and osmotic coefficients of the solutions have been determined from the experimental measured water activity results. The experimental water activity values were satisfactorily correlated with segment-based local composition models of the Wilson, NRTL, modified NRTL, NRF-NRTL and UNIQUAC. Then, using the parameters obtained from these models, the unsymmetrical molal activity coefficients of the D-fructose and ionic liquids in the binary and D-fructose in ternary aqueous solutions have been calculated. Furthermore, the activity coefficients of D-fructose in binary and ternary solutions were used to calculate the Gibbs energy of transfer for D-fructose from water to aqueous ionic liquid solutions. An application of McMillan-Mayer theory of solutions through virial expansion of transfer Gibbs energy was made to get pair and triplet interaction parameters and salting constant values. From the sign and magnitude of these parameters and salting constants and also from the magnitude of activity coefficients some information about solute-solute and solute-solvent interactions are obtained.
D-Fructose
Ionic liquid
Water activity
Activity coefficient
10.1016/j.jct.2016.10.015
105
142-150
1
InChI=1S/C8H15N2.BrH/c1-3-4-5-10-7-6-9(2)8-10;/h6-8H,3-5H2,1-2H3;1H/q+1;/p-1
KYCQOKLOSUBEJK-UHFFFAOYSA-M
1-butyl-3-methylimidazolium bromide
1-n-butyl-3-methylimidazolium bromide
C8H15BrN2
1
Synthesized by the authors
1
Dried by vacuum heating
2
98
2
NMR (proton)
3
0.34
2
Karl Fischer titration
2
InChI=1S/C10H19N2.BrH/c1-3-4-5-6-7-12-9-8-11(2)10-12;/h8-10H,3-7H2,1-2H3;1H/q+1;/p-1
BGSUDDILQRFOKZ-UHFFFAOYSA-M
3-hexyl-1-methyl-1H-imidazolium bromide
1-hexyl-3-methylimidazolium bromide
3-hexyl-1-methylimidazolium bromide
C10H19BrN2
1
Synthesized by the authors
1
Dried by vacuum heating
2
98
2
NMR (proton)
3
0.5
2
Karl Fischer titration
3
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1
BJHIKXHVCXFQLS-UYFOZJQFSA-N
D-fructose
D-(-)-fructose
levulose
C6H12O6
1
Commercial source
1
99.5
3
Stated by supplier
2
Dried in a desiccator
Dried by vacuum heating
Dried in a desiccator
Dried by vacuum heating
3
0.09
1
Karl Fischer titration
4
InChI=1S/H2O/h1H2
XLYOFNOQVPJJNP-UHFFFAOYSA-N
water
H2O
1
Commercial source
1
Fractional distillation
2
99.8
3
Estimated by the compiler
1
3
1
4
1
Principal objective of the work
AB
TRC
4/2/2017
1
(Relative) activity
Chemical equilibration / Heterogeneous equilibration
4
Liquid
Direct value, X
4
Pure compound
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Temperature, K
Liquid
298.15
5
2
Pressure, kPa
Liquid
100
1
1
Molality, mol/kg
3
Liquid
1
0.8682
4
1
0.984
4
1
0.0077
1
0.8781
4
1
0.9838
4
1
0.0077
1
0.9295
4
1
0.9828
4
1
0.0078
1
0.9369
4
1
0.9826
4
1
0.0077
1
0.9486
4
1
0.9825
4
1
0.0077
1
1.2115
5
1
0.9775
4
1
0.0077
1
1.3238
5
1
0.9756
4
1
0.0079
1
1.4051
5
1
0.9742
4
1
0.0078
1
1.5416
5
1
0.9716
4
1
0.0077
1
2.1117
5
1
0.9606
4
1
0.0078
1
2.3928
5
1
0.9552
4
1
0.0078
1
0.7378
4
1
0.9861
4
1
0.0077
1
0.792
4
1
0.9855
4
1
0.0077
1
1.0691
5
1
0.98
4
1
0.0077
1
1.2116
5
1
0.9775
4
1
0.0077
1
0.5879
4
1
0.9888
4
1
0.0077
1
0.7222
4
1
0.9863
4
1
0.0077
1
1.0263
5
1
0.9804
4
1
0.0077
1
1.1505
5
1
0.9781
4
1
0.0077
1
1.3218
5
1
0.9754
4
1
0.0079
1
1.4065
5
1
0.9734
4
1
0.0078
2
4
1
1
1
Principal objective of the work
AB
TRC
4/2/2017
1
(Relative) activity
Chemical equilibration / Heterogeneous equilibration
4
Liquid
Direct value, X
4
Pure compound
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Temperature, K
Liquid
298.15
5
2
Pressure, kPa
Liquid
100
1
1
Molality, mol/kg
1
Liquid
1
0.3905
4
1
0.9888
4
1
0.0078
1
0.552
4
1
0.9847
4
1
0.0078
1
0.5905
4
1
0.984
4
1
0.0078
1
0.7393
4
1
0.9804
4
1
0.0078
1
0.7803
4
1
0.9793
4
1
0.0078
1
0.8382
4
1
0.9783
4
1
0.0078
1
0.8442
4
1
0.9781
4
1
0.0078
1
0.9499
4
1
0.9754
4
1
0.0078
1
1.4078
5
1
0.9646
4
1
0.0078
1
1.5666
5
1
0.9606
4
1
0.0079
1
1.7795
5
1
0.9565
4
1
0.0079
1
2.2778
5
1
0.9452
4
1
0.008
1
2.436
5
1
0.9426
4
1
0.008
1
2.8755
5
1
0.9343
4
1
0.0081
1
3.083
5
1
0.9295
4
1
0.0081
1
3.409
5
1
0.9233
4
1
0.0081
1
4.1247
5
1
0.9104
4
1
0.0084
1
4.41
5
1
0.9032
4
1
0.0089
1
0.5051
4
1
0.9863
4
1
0.0078
1
1.0035
5
1
0.9734
4
1
0.0079
3
4
1
2
1
Principal objective of the work
AB
TRC
4/2/2017
1
(Relative) activity
Chemical equilibration / Heterogeneous equilibration
4
Liquid
Direct value, X
4
Pure compound
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Temperature, K
Liquid
298.15
5
2
Pressure, kPa
Liquid
100
1
1
Molality, mol/kg
2
Liquid
1
0.6531
4
1
0.9837
4
1
0.0078
1
0.6579
4
1
0.9839
4
1
0.0078
1
0.835
4
1
0.9812
4
1
0.0078
1
0.9881
4
1
0.9787
4
1
0.0078
1
1.1676
5
1
0.9754
4
1
0.0078
1
1.4968
5
1
0.9718
4
1
0.0078
1
2.3004
5
1
0.9633
4
1
0.0078
1
2.5207
5
1
0.9596
4
1
0.0079
1
3.6854
5
1
0.9449
4
1
0.0092
1
3.7298
5
1
0.9434
4
1
0.0092
1
4.9525
5
1
0.9223
4
1
0.0085
1
5.5531
5
1
0.9106
4
1
0.0078
1
5.6044
5
1
0.9107
4
1
0.0078
1
0.5522
4
1
0.9861
4
1
0.0077
1
0.612
4
1
0.9855
4
1
0.0078
1
0.6877
4
1
0.9838
4
1
0.0078
1
0.7421
4
1
0.9825
4
1
0.0078
1
0.9146
4
1
0.98
4
1
0.0078
1
1.0603
5
1
0.9775
4
1
0.0078
1
1.5333
5
1
0.9716
4
1
0.0078
4
3
1
4
1
2
1
Principal objective of the work
AB
TRC
4/2/2017
1
(Relative) activity
Chemical equilibration / Heterogeneous equilibration
4
Liquid
Direct value, X
4
Pure compound
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Temperature, K
Liquid
298.15
5
2
Pressure, kPa
Liquid
100
1
1
Molality, mol/kg
2
Liquid
2
Molality, mol/kg
3
Liquid
1
0.5522
4
2
0
5
1
0.9861
4
1
0.0077
1
0.3994
4
2
0.1423
4
1
0.9861
4
1
0.0077
1
0.1455
4
2
0.4885
4
1
0.9861
4
1
0.0077
1
0
5
2
0.7378
4
1
0.9861
4
1
0.0077
1
0.612
4
2
0
5
1
0.9855
4
1
0.0078
1
0.447
4
2
0.1589
4
1
0.9855
4
1
0.0078
1
0.16
4
2
0.5373
4
1
0.9855
4
1
0.0077
1
0
5
2
0.792
4
1
0.9855
4
1
0.0077
1
0.6877
4
2
0
5
1
0.9838
4
1
0.0078
1
0.512
4
2
0.1821
4
1
0.9838
4
1
0.0078
1
0.1796
4
2
0.6029
4
1
0.9838
4
1
0.0077
1
0
5
2
0.8781
4
1
0.9838
4
1
0.0077
1
0.7421
4
2
0
5
1
0.9825
4
1
0.0078
1
0.5347
4
2
0.1904
4
1
0.9825
4
1
0.0078
1
0.1926
4
2
0.6475
4
1
0.9825
4
1
0.0077
1
0
5
2
0.9486
4
1
0.9825
4
1
0.0077
1
0.9146
4
2
0
5
1
0.98
4
1
0.0078
1
0.573
4
2
0.3253
4
1
0.98
4
1
0.0078
1
0.1929
4
2
0.7505
4
1
0.98
4
1
0.0078
1
0
5
2
1.0691
5
1
0.98
4
1
0.0077
1
1.0603
5
2
0
5
1
0.9775
4
1
0.0078
1
0.7773
4
2
0.263
4
1
0.9775
4
1
0.0078
1
0.2573
4
2
0.864
4
1
0.9775
4
1
0.0078
1
0
5
2
1.2116
5
1
0.9775
4
1
0.0077
1
1.5333
5
2
0
5
1
0.9716
4
1
0.0078
1
0.9155
4
2
0.5823
4
1
0.9716
4
1
0.0078
1
0.4206
4
2
1.1309
5
1
0.9716
4
1
0.0078
1
0
5
2
1.5416
5
1
0.9716
4
1
0.0078
5
3
1
4
1
1
1
Principal objective of the work
AB
TRC
4/2/2017
1
(Relative) activity
Chemical equilibration / Heterogeneous equilibration
4
Liquid
Direct value, X
4
Pure compound
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Temperature, K
Liquid
298.15
5
2
Pressure, kPa
Liquid
100
1
1
Molality, mol/kg
1
Liquid
2
Molality, mol/kg
3
Liquid
1
0.3905
4
2
0
5
1
0.9888
4
1
0.0078
1
0.284
4
2
0.1736
4
1
0.9888
4
1
0.0078
1
0.1176
4
2
0.3945
4
1
0.9888
4
1
0.0077
1
0
5
2
0.5879
4
1
0.9888
4
1
0.0077
1
0.5051
4
2
0
5
1
0.9863
4
1
0.0078
1
0.3341
4
2
0.1906
4
1
0.9863
4
1
0.0078
1
0.1428
4
2
0.4782
4
1
0.9863
4
1
0.0077
1
0
5
2
0.7222
4
1
0.9863
4
1
0.0077
1
0.5905
4
2
0
5
1
0.984
4
1
0.0078
1
0.4186
4
2
0.2564
4
1
0.984
4
1
0.0078
1
0.1797
4
2
0.6021
4
1
0.984
4
1
0.0078
1
0
5
2
0.8682
4
1
0.984
4
1
0.0077
1
0.7393
4
2
0
5
1
0.9804
4
1
0.0078
1
0.4946
4
2
0.3027
4
1
0.9804
4
1
0.0078
1
0.2072
4
2
0.6938
4
1
0.9804
4
1
0.0078
1
0
5
2
1.0263
5
1
0.9804
4
1
0.0077
1
0.8442
4
2
0
5
1
0.9781
4
1
0.0078
1
0.6323
4
2
0.2757
4
1
0.9781
4
1
0.0078
1
0.2773
4
2
0.8174
4
1
0.9781
4
1
0.0078
1
0
5
2
1.1505
5
1
0.9781
4
1
0.0077
1
0.9499
4
2
0
5
1
0.9754
4
1
0.0078
1
0.7085
4
2
0.3092
4
1
0.9754
4
1
0.0078
1
0.3003
4
2
0.8848
4
1
0.9754
4
1
0.0078
1
0
5
2
1.3218
5
1
0.9754
4
1
0.0077
1
1.0035
5
2
0
5
1
0.9734
4
1
0.0079
1
0.7731
4
2
0.3373
4
1
0.9734
4
1
0.0078
1
0.3169
4
2
0.9344
4
1
0.9734
4
1
0.0078
1
0
5
2
1.4065
5
1
0.9734
4
1
0.0078
1
1.5666
5
2
0
5
1
0.9606
4
1
0.0079
1
1.1754
5
2
0.5125
4
1
0.9606
4
1
0.0078
1
0.4881
4
2
1.4375
5
1
0.9606
4
1
0.0078
1
0
5
2
2.1117
5
1
0.9606
4
1
0.0078