2
0
2017
che
lv
0
journal
Original
Chen, Y.[Yun]
Lv, R.[Ran]
Li, L.[Libo]
Wang, F.[Furong]
J. Chem. Thermodyn.
2017
2020-09-29
Measurement and thermodynamic modeling of ternary (liquid + liquid) equilibrium for extraction of o-cresol, m-cresol or p-cresol from aqueous solution with 2-pentanone
The (liquid + liquid) equilibrium (LLE) data are vital for the liquid extraction of cresols from aqueous solution with 2-pentanone as an extraction agent. Therefore, the ternary LLE data for {2-pentanone + o-cresol, m-cresol or p-cresol + water} were determined at T = (298.15 and 323.15) K and p = 101.3 kPa. And the reliability of the LLE data was ascertained by using the Othmer-Tobias and Hand equations. The distribution coefficients and separation factors were calculated to evaluate the effectiveness of extracting cresols from water. The thermodynamic NRTL and UNIQUAC models were used to correlate the experimental LLE data of the studied systems, and the binary interaction parameter values were obtained from the data correlation.
Ternary (liquid + liquid) equilibrium
Cresols
2-Pentanone
NRTL
UNIQUAC
10.1016/j.jct.2016.09.034
104
230-238
1
InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
QWVGKYWNOKOFNN-UHFFFAOYSA-N
2-methylphenol
1-hydroxy-2-methylbenzene
2-cresol
o-cresol
o-hydroxytoluene
o-methylphenol
ortho-cresol
ortho-hydroxytoluene
C7H8O
1
Commercial source
1
99.5
3
Gas chromatography
2
InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
RLSSMJSEOOYNOY-UHFFFAOYSA-N
3-methylphenol
1-hydroxy-3-methylbenzene
m-cresol
m-hydroxytoluene
m-methylphenol
meta-cresol
meta-hydroxytoluene
C7H8O
1
Commercial source
1
99.5
3
Gas chromatography
3
InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
IWDCLRJOBJJRNH-UHFFFAOYSA-N
4-methylphenol
1-hydroxy-4-methylbenzene
p-cresol
p-hydroxytoluene
para-cresol
para-hydroxytoluene
C7H8O
1
Commercial source
1
99
2
Gas chromatography
4
InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
XNLICIUVMPYHGG-UHFFFAOYSA-N
pentan-2-one
2-pentanone
methyl n-propyl ketone
methyl propyl ketone
propyl methyl ketone
C5H10O
1
Commercial source
1
99
2
Gas chromatography
5
InChI=1S/H2O/h1H2
XLYOFNOQVPJJNP-UHFFFAOYSA-N
water
H2O
1
Commercial source
1
Fractional distillation
2
99.8
3
Estimated by the compiler
1
1
1
4
1
5
1
Principal objective of the work
AB
TRC
4/5/2017
1
Mass fraction
Chromatography
1
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
2
Mass fraction
Chromatography
1
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
3
Mass fraction
Chromatography
4
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid mixture 2
Liquid mixture 1
1
Pressure, kPa
Liquid mixture 2
101.3
4
1
Temperature, K
Liquid mixture 1
2
Mass fraction
4
Liquid mixture 2
1
298.15
5
2
0.8791
4
1
0.0817
3
1
0.0079
2
0.00023
2
1
0.00014
3
0.03985
4
1
298.15
5
2
0.7911
4
1
0.1634
4
1
0.008
2
0.0005
2
1
0.00014
3
0.03268
4
1
298.15
5
2
0.71
4
1
0.2387
4
1
0.0081
2
0.00082
2
1
0.00015
3
0.02771
4
1
298.15
5
2
0.6438
4
1
0.2997
4
1
0.0082
2
0.00128
3
1
0.00016
3
0.02412
4
1
298.15
5
2
0.595
4
1
0.3449
4
1
0.0083
2
0.00182
3
1
0.00017
3
0.02151
4
1
298.15
5
2
0.5584
4
1
0.3791
4
1
0.0083
2
0.00231
3
1
0.00021
3
0.01893
4
1
298.15
5
2
0.5049
4
1
0.4282
4
1
0.0084
2
0.00325
3
1
0.00026
3
0.01667
4
1
298.15
5
2
0.9668
4
1
0
1
2
0
1
3
0.05467
4
1
298.15
5
2
0
1
1
0.8619
4
1
0.0051
2
0.02839
4
1
0.00025
3
0
1
1
323.15
5
2
0.8696
4
1
0.083
3
1
0.008
2
0.00028
2
1
0.00014
3
0.02879
4
1
323.15
5
2
0.7873
4
1
0.1595
4
1
0.008
2
0.00058
2
1
0.00015
3
0.02354
4
1
323.15
5
2
0.7067
4
1
0.2348
4
1
0.008
2
0.00105
3
1
0.00017
3
0.02027
4
1
323.15
5
2
0.6412
4
1
0.2939
4
1
0.0081
2
0.00162
3
1
0.00024
3
0.01815
4
1
323.15
5
2
0.5853
4
1
0.3458
4
1
0.0083
2
0.00235
3
1
0.00021
3
0.01676
4
1
323.15
5
2
0.5496
4
1
0.3786
4
1
0.0083
2
0.00291
3
1
0.00023
3
0.01403
4
1
323.15
5
2
0.4969
4
1
0.4271
4
1
0.0084
2
0.00413
3
1
0.00029
3
0.01149
4
1
323.15
5
2
0.9581
4
1
0
1
2
0
1
3
0.04203
4
1
323.15
5
2
0
1
1
0.8498
4
1
0.0051
2
0.03196
4
1
0.00027
3
0
1
2
4
1
2
1
5
1
Principal objective of the work
AB
TRC
4/5/2017
1
Mass fraction
Chromatography
2
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
2
Mass fraction
Chromatography
2
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
3
Mass fraction
Chromatography
4
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid mixture 2
Liquid mixture 1
1
Pressure, kPa
Liquid mixture 2
101.3
4
1
Temperature, K
Liquid mixture 1
2
Mass fraction
4
Liquid mixture 2
1
298.15
5
2
0.8659
4
1
0.0941
3
1
0.008
2
0.00026
2
1
0.00014
3
0.0391
4
1
298.15
5
2
0.7788
4
1
0.1752
4
1
0.008
2
0.00059
2
1
0.00014
3
0.03295
4
1
298.15
5
2
0.7096
4
1
0.2392
4
1
0.0081
2
0.00096
2
1
0.00015
3
0.02827
4
1
298.15
5
2
0.665
4
1
0.2806
4
1
0.0081
2
0.00126
3
1
0.00016
3
0.02558
4
1
298.15
5
2
0.6102
4
1
0.3311
4
1
0.0082
2
0.00183
3
1
0.00017
3
0.02205
4
1
298.15
5
2
0.559
4
1
0.3788
4
1
0.0084
2
0.00246
3
1
0.00019
3
0.01863
4
1
298.15
5
2
0.5196
4
1
0.416
4
1
0.0085
2
0.00327
3
1
0.00024
3
0.01639
4
1
298.15
5
2
0.9668
4
1
0
1
2
0
1
3
0.05467
4
1
298.15
5
2
0
1
1
0.8647
4
1
0.0051
2
0.02372
4
1
0.00022
3
0
1
1
323.15
5
2
0.8634
4
1
0.0872
3
1
0.0079
2
0.00033
2
1
0.00014
3
0.02975
4
1
323.15
5
2
0.7835
4
1
0.162
4
1
0.008
2
0.00067
2
1
0.00015
3
0.02488
4
1
323.15
5
2
0.7084
4
1
0.2315
4
1
0.008
2
0.00111
3
1
0.00016
3
0.02165
4
1
323.15
5
2
0.6568
4
1
0.2785
4
1
0.0081
2
0.00159
3
1
0.00017
3
0.01887
4
1
323.15
5
2
0.6239
4
1
0.3089
4
1
0.0082
2
0.00202
3
1
0.00023
3
0.01715
4
1
323.15
5
2
0.5559
4
1
0.3718
4
1
0.0083
2
0.00307
3
1
0.00029
3
0.01457
4
1
323.15
5
2
0.4908
4
1
0.4323
4
1
0.0085
2
0.00437
3
1
0.00032
3
0.01222
4
1
323.15
5
2
0.9581
4
1
0
1
2
0
1
3
0.04203
4
1
323.15
5
2
0
1
1
0.8441
4
1
0.0051
2
0.0272
4
1
0.00024
3
0
1
3
3
1
4
1
5
1
Principal objective of the work
AB
TRC
4/5/2017
1
Mass fraction
Chromatography
3
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
2
Mass fraction
Chromatography
3
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
3
Mass fraction
Chromatography
4
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid mixture 2
Liquid mixture 1
1
Pressure, kPa
Liquid mixture 2
101.3
4
1
Temperature, K
Liquid mixture 1
2
Mass fraction
4
Liquid mixture 2
1
298.15
5
2
0.8619
4
1
0.0977
3
1
0.0079
2
0.0003
2
1
0.00014
3
0.03958
4
1
298.15
5
2
0.7787
4
1
0.1745
4
1
0.008
2
0.00063
2
1
0.00014
3
0.03142
4
1
298.15
5
2
0.7067
4
1
0.2408
4
1
0.008
2
0.00098
2
1
0.00015
3
0.02617
4
1
298.15
5
2
0.6502
4
1
0.2922
4
1
0.0081
2
0.0014
3
1
0.00015
3
0.02263
4
1
298.15
5
2
0.6003
4
1
0.3381
4
1
0.0083
2
0.00179
3
1
0.00018
3
0.01973
4
1
298.15
5
2
0.547
4
1
0.3878
4
1
0.0084
2
0.00233
3
1
0.0002
3
0.01828
4
1
298.15
5
2
0.4982
4
1
0.4332
4
1
0.0085
2
0.00298
3
1
0.00018
3
0.01532
4
1
298.15
5
2
0.9668
4
1
0
1
2
0
1
3
0.05467
4
1
298.15
5
2
0
1
1
0.8465
4
1
0.0051
2
0.01955
4
1
0.0002
3
0
1
1
323.15
5
2
0.8589
4
1
0.0914
3
1
0.0079
2
0.00036
2
1
0.00014
3
0.02871
4
1
323.15
5
2
0.7719
4
1
0.1715
4
1
0.0079
2
0.00073
2
1
0.00015
3
0.02393
4
1
323.15
5
2
0.6996
4
1
0.2376
4
1
0.008
2
0.00118
3
1
0.00016
3
0.01975
4
1
323.15
5
2
0.6297
4
1
0.3019
4
1
0.0082
2
0.00169
3
1
0.0002
3
0.01709
4
1
323.15
5
2
0.563
4
1
0.3634
4
1
0.0083
2
0.00237
3
1
0.00022
3
0.01532
4
1
323.15
5
2
0.4992
4
1
0.4226
4
1
0.0084
2
0.00315
3
1
0.0002
3
0.01266
4
1
323.15
5
2
0.4646
4
1
0.4536
4
1
0.0084
2
0.00371
3
1
0.00019
3
0.01031
4
1
323.15
5
2
0.9581
4
1
0
1
2
0
1
3
0.04203
4
1
323.15
5
2
0
1
1
0.8247
4
1
0.0052
2
0.02489
4
1
0.00023
3
0
1
4
4
1
5
1
Principal objective of the work
AB
TRC
4/5/2017
1
Mass fraction
Chromatography
4
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid mixture 2
Liquid mixture 1
1
Pressure, kPa
Liquid mixture 2
101.3
4
1
Temperature, K
Liquid mixture 1
1
323.15
5
1
0.9581
4
1
0.0066
1
298.15
5
1
0.9668
4
1
0.0066
5
4
1
5
1
Principal objective of the work
AB
TRC
4/5/2017
1
Mass fraction
Chromatography
4
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid mixture 1
Liquid mixture 2
1
Pressure, kPa
Liquid mixture 2
101.3
4
1
Temperature, K
Liquid mixture 1
1
323.15
5
1
0.04203
4
1
0.00061
1
298.15
5
1
0.05467
4
1
0.00066
6
1
1
5
1
Principal objective of the work
AB
TRC
4/5/2017
1
Mass 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
Pressure, kPa
Liquid mixture 2
101.3
4
1
Temperature, K
Liquid mixture 1
1
323.15
5
1
0.8498
4
1
0.0051
1
298.15
5
1
0.8619
4
1
0.0051
7
1
1
5
1
Principal objective of the work
AB
TRC
4/5/2017
1
Mass 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
Pressure, kPa
Liquid mixture 2
101.3
4
1
Temperature, K
Liquid mixture 1
1
323.15
5
1
0.03196
4
1
0.00027
1
298.15
5
1
0.02839
4
1
0.00025
8
2
1
5
1
Principal objective of the work
AB
TRC
4/5/2017
1
Mass fraction
Chromatography
2
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid mixture 2
Liquid mixture 1
1
Pressure, kPa
Liquid mixture 2
101.3
4
1
Temperature, K
Liquid mixture 1
1
323.15
5
1
0.8441
4
1
0.0051
1
298.15
5
1
0.8647
4
1
0.0051
9
2
1
5
1
Principal objective of the work
AB
TRC
4/5/2017
1
Mass fraction
Chromatography
2
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid mixture 1
Liquid mixture 2
1
Pressure, kPa
Liquid mixture 2
101.3
4
1
Temperature, K
Liquid mixture 1
1
323.15
5
1
0.0272
4
1
0.00024
1
298.15
5
1
0.02372
4
1
0.00022
10
3
1
5
1
Principal objective of the work
AB
TRC
4/5/2017
1
Mass 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
Pressure, kPa
Liquid mixture 2
101.3
4
1
Temperature, K
Liquid mixture 1
1
323.15
5
1
0.8247
4
1
0.0052
1
298.15
5
1
0.8465
4
1
0.0051
11
3
1
5
1
Principal objective of the work
AB
TRC
4/5/2017
1
Mass 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
Pressure, kPa
Liquid mixture 2
101.3
4
1
Temperature, K
Liquid mixture 1
1
323.15
5
1
0.02489
4
1
0.00023
1
298.15
5
1
0.01955
4
1
0.0002