2
0
2017
swa
sch
0
journal
Original
Swanepoel, R. M.[Riccardo M.]
Schwarz, C. E.[Cara E.]
J. Chem. Eng. Data
2017
2020-09-29
Influence of Temperature on the Liquid Liquid Phase Equilibria of Ternary (Water + Alcohol + Entrainer) Systems
The effect of temperature on the liquid liquid equilibrium (LLE) phase behavior of ternary (water + alcohol + entrainer) systems comprised of the alcohols ethanol, isopropanol, and n-propanol and the entrainers diisopropyl ether (DIPE), cyclohexane, and isooctane (excluding (water + n-propanol + DIPE)) was investigated for application to the decanter in heterogeneous azeotropic distillation. LLE data were measured at ambient pressure for the (water + isopropanol + cyclohexane), (water + isopropanol + isooctane), and (water + n-propanol + isooctane) systems at 308.2 and 318.2 K and for the (water + n-propanol + cyclohexane) and (water + ethanol + isooctane) systems at 318.2 K. These data, in conjunction with literature LLE data, show that temperature has an effect on all systems investigated. As temperature increases, the aqueous phase becomes depleted of and the organic phase becomes enriched in alcohol. It appears that component polarities play an important role in explaining the phase behavior. The systems were correlated with the NRTL and UNIQUAC ACMs in Aspen Plus V8.2, but reliable correlations were only obtained for the (water + ethanol + DIPE/cyclohexane/isooctane) and (water + ethanol/isopropanol/n-propanol + cyclohexane) systems. These correlations were used to simulate the decanter water recoveries over a range of temperatures.
liquid liquid equilibria
temperature
heterogeneous azeotropic distillation
10.1021/acs.jced.7b00110
9
62
2740-2754
1
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
ethanol
ethyl alcohol
C2H6O
1
Commercial source
1
99.92
4
Karl Fischer titration
2
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
KFZMGEQAYNKOFK-UHFFFAOYSA-N
propan-2-ol
2-propanol
isopropanol
isopropyl alcohol
sec-propyl alcohol
C3H8O
1
Commercial source
1
99.83
4
Karl Fischer titration
3
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
99.8
4
Karl Fischer titration
4
InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
XDTMQSROBMDMFD-UHFFFAOYSA-N
cyclohexane
C6H12
1
Commercial source
1
99.12
4
Karl Fischer titration
5
InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
NHTMVDHEPJAVLT-UHFFFAOYSA-N
2,2,4-trimethylpentane
isooctane
C8H18
1
Commercial source
1
99.12
4
Karl Fischer titration
6
InChI=1S/H2O/h1H2
XLYOFNOQVPJJNP-UHFFFAOYSA-N
water
H2O
1
Commercial source
1
99.9
3
Estimated by the compiler
1
6
1
2
1
4
1
Principal objective of the work
BDH
TRC
5/9/2017
1
Mole fraction
Chromatography
2
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
2
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
100
1
1
Temperature, K
Liquid mixture 1
2
Mole fraction
4
Liquid mixture 2
1
308.2
4
2
0.952
3
1
0.041
2
1
0.033
2
0
4
3
0.051
2
1
308.2
4
2
0.745
3
1
0.206
3
1
0.032
2
0.001
1
1
0.001
3
0.119
3
1
308.2
4
2
0.619
3
1
0.288
3
1
0.029
2
0.005
1
1
0.005
3
0.175
3
1
308.2
4
2
0.509
3
1
0.329
3
1
0.028
2
0.025
2
1
0.025
3
0.271
3
1
308.2
4
2
0.372
3
1
0.376
3
1
0.028
2
0.069
2
1
0.03
3
0.35
3
1
318.2
4
2
0.941
3
1
0.05
2
1
0.033
2
0
4
3
0.048
2
1
318.2
4
2
0.709
3
1
0.233
3
1
0.032
2
0.001
1
1
0.001
3
0.114
3
1
318.2
4
2
0.576
3
1
0.309
3
1
0.029
2
0.005
1
1
0.005
3
0.159
3
1
318.2
4
2
0.401
3
1
0.39
3
1
0.027
2
0.017
2
1
0.017
3
0.235
3
1
318.2
4
2
0.288
3
1
0.387
3
1
0.026
2
0.049
2
1
0.029
3
0.302
3
2
6
1
3
1
4
1
Principal objective of the work
BDH
TRC
5/9/2017
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
Pressure, kPa
Liquid mixture 2
100
1
1
Temperature, K
Liquid mixture 1
2
Mole fraction
4
Liquid mixture 2
1
298.2
4
2
0.289
3
1
0.435
3
1
0.029
2
0.001
1
1
0.001
3
0.08
2
1
298.2
4
2
0.449
3
1
0.363
3
1
0.029
2
0
4
3
0.078
2
1
298.2
4
2
0.71
3
1
0.224
3
1
0.031
2
0
4
3
0.061
2
1
298.2
4
2
0.908
3
1
0.08
2
1
0.033
2
0
4
3
0.047
2
1
298.2
4
2
0.989
3
1
0.002
1
1
0.002
2
0
4
3
0.006
1
1
318.2
4
2
0.971
3
1
0.02
2
1
0.02
2
0
4
3
0.015
2
1
318.2
4
2
0.89
3
1
0.091
2
1
0.035
2
0
4
3
0.036
2
1
318.2
4
2
0.777
3
1
0.191
3
1
0.031
2
0
4
3
0.05
2
1
318.2
4
2
0.584
3
1
0.3
3
1
0.029
2
0
4
3
0.055
2
1
318.2
4
2
0.341
3
1
0.405
3
1
0.028
2
0
4
3
0.061
2
3
6
1
1
1
5
1
Principal objective of the work
BDH
TRC
5/9/2017
1
Mole fraction
Chromatography
5
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
2
Mole fraction
Chromatography
5
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
3
Mole fraction
Chromatography
1
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 1
318.2
4
2
Pressure, kPa
Liquid mixture 2
100
1
1
Mole fraction
1
Liquid mixture 2
1
0.028
2
1
0.961
3
1
0.039
2
0
4
3
0.162
3
1
0.048
2
1
0.936
3
1
0.039
2
0.003
1
1
0.003
3
0.36
3
1
0.086
2
1
0.894
3
1
0.039
2
0.014
2
1
0.014
3
0.5
3
1
0.149
3
1
0.824
3
1
0.041
2
0.046
2
1
0.046
3
0.616
3
1
0.295
3
1
0.643
3
1
0.041
2
0.135
3
1
0.09
3
0.643
3
4
6
1
2
1
5
1
Principal objective of the work
BDH
TRC
5/9/2017
1
Mole fraction
Chromatography
5
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
2
Mole fraction
Chromatography
5
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
3
Mole fraction
Chromatography
2
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
100
1
1
Temperature, K
Liquid mixture 1
2
Mole fraction
2
Liquid mixture 2
1
308.2
4
2
0.012
2
1
0.979
3
1
0.021
2
0
4
3
0.024
2
1
308.2
4
2
0.114
3
1
0.858
3
1
0.041
2
0
4
3
0.089
2
1
308.2
4
2
0.183
3
1
0.772
3
1
0.043
2
0.002
1
1
0.002
3
0.168
3
1
308.2
4
2
0.225
3
1
0.709
3
1
0.048
2
0.008
1
1
0.008
3
0.248
3
1
308.2
4
2
0.296
3
1
0.599
3
1
0.048
2
0.031
2
1
0.027
3
0.354
3
1
318.2
4
2
0.016
2
1
0.967
3
1
0.032
2
0
4
3
0.023
2
1
318.2
4
2
0.14
3
1
0.826
3
1
0.04
2
0
4
3
0.099
2
1
318.2
4
2
0.202
3
1
0.746
3
1
0.044
2
0.002
1
1
0.002
3
0.169
3
1
318.2
4
2
0.245
3
1
0.682
3
1
0.048
2
0.008
1
1
0.008
3
0.245
3
1
318.2
4
2
0.317
3
1
0.568
3
1
0.049
2
0.032
2
1
0.027
3
0.347
3
5
6
1
3
1
5
1
Principal objective of the work
BDH
TRC
5/9/2017
1
Mole fraction
Chromatography
5
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
2
Mole fraction
Chromatography
5
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
Pressure, kPa
Liquid mixture 2
100
1
1
Temperature, K
Liquid mixture 1
2
Mole fraction
3
Liquid mixture 2
1
308.2
4
2
0.022
2
1
0.964
3
1
0.036
2
0
4
3
0.026
2
1
308.2
4
2
0.117
3
1
0.854
3
1
0.041
2
0
4
3
0.068
2
1
308.2
4
2
0.191
3
1
0.755
3
1
0.044
2
0.001
1
1
0.001
3
0.106
3
1
308.2
4
2
0.225
3
1
0.709
3
1
0.044
2
0.003
1
1
0.003
3
0.155
3
1
308.2
4
2
0.244
3
1
0.682
3
1
0.044
2
0.008
1
1
0.008
3
0.211
3
1
318.2
4
2
0.023
2
1
0.967
3
1
0.033
2
0
4
3
0.025
2
1
318.2
4
2
0.123
3
1
0.85
3
1
0.041
2
0
4
3
0.057
2
1
318.2
4
2
0.221
3
1
0.723
3
1
0.044
2
0.001
1
1
0.001
3
0.093
2
1
318.2
4
2
0.251
3
1
0.674
3
1
0.047
2
0.003
1
1
0.003
3
0.141
3
1
318.2
4
2
0.28
3
1
0.635
3
1
0.044
2
0.009
1
1
0.009
3
0.206
3