2
0
2017
xu
zha
0
journal
Original
Xu, D.[Dongmei]
Zhang, L.[Lianzheng]
Gao, J.[Jun]
Pratik, D.[Dhakal]
Zhao, L.[Liwen]
Cui, Z.[Zhifang]
J. Chem. Thermodyn.
2017
2020-09-29
Liquid-liquid equilibrium for ternary systems of ethyl acetate/isopropyl acetate + 2,2,3,3-tetrafluoro-1-propanol + water at 298.15, 318.15 K
The liquid-liquid equilibrium (LLE) data for the ternary systems of ethyl acetate + 2,2,3,3-tetrafluoro-1- propanol + water and isopropyl acetate + 2,2,3,3-tetrafluoro-1-propanol + water were measured at T = 298.15 K and T = 318.15 K under 101.3 kPa. Bachman and Hand equations were selected to check and confirm the reliability of the measured tie-line data, and the correlation coefficient (R2) were all close to 1. Meanwhile, the distribution coefficient and separation factor were calculated and discussed in detail. In addition, the nonrandom two-liquid (NRTL) and universal quasi-chemical (UNIQUAC) activity coefficient models were applied to correlate the experimental data, and the RMSD values for the two models obtained are 0.0104, 0.0104 correlated by NRTL, and 0.0077, 0.0128 by UNIQUAC, respectively, which indicate that the experimental LLE data can be successfully correlated by both the NRTL and the UNIQUAC models. Also, the corresponding binary interaction parameters were regressed. The correlated model parameters could be applied for the optimization and design of the separation process.
Liquid-liquid equilibrium
2,2,3,3-Tetrafluoro-1-propanol
Ethyl acetate
Isopropyl acetate
NRTL
UNIQUAC
10.1016/j.jct.2016.12.006
106
218-227
1
InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2
NBUKAOOFKZFCGD-UHFFFAOYSA-N
2,2,3,3-tetrafluoro-1-propanol
1,1,2,2-tetrafluoro-3-hydroxypropane
1,1,3-trihydroperfluoro-1-propanol
1-hydroxy-2,2,3,3-tetrafluoropropane
2,2,3,3-tetrafluoropropanol-1
2,2,3,3-tetrafluoropropyl alcohol
C3H4F4O
1
Commercial source
1
99.9
3
Stated by supplier
2
None used
2
InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
XEKOWRVHYACXOJ-UHFFFAOYSA-N
ethyl acetate
ethyl ethanoate
C4H8O2
1
Commercial source
1
99.5
3
Stated by supplier
2
None used
3
InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
JMMWKPVZQRWMSS-UHFFFAOYSA-N
1-methylethyl ethanoate
1-methylethyl acetate
acetic acid, 1-methylethyl ester
acetic acid, isopropyl ester
ethanoic acid, isopropyl ester
isopropyl acetate
isopropyl ethanoate
C5H10O2
1
Commercial source
1
99
2
Stated by supplier
2
None used
4
InChI=1S/H2O/h1H2
XLYOFNOQVPJJNP-UHFFFAOYSA-N
water
H2O
1
Commercial source
1
99.8
3
Estimated by the compiler
1
1
1
Principal objective of the work
AB
TRC
7/29/2017
1
Refractive index (Na D-line)
Standard Abbe refractometry
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Temperature, K
Liquid
2
Pressure, kPa
Liquid
1
303.15
5
2
101.325
6
1
1.3196
5
1
0.004
2
2
1
Principal objective of the work
AB
TRC
7/29/2017
1
Refractive index (Na D-line)
Standard Abbe refractometry
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Temperature, K
Liquid
2
Pressure, kPa
Liquid
1
303.15
5
2
101.325
6
1
1.3675
5
1
0.004
3
3
1
Principal objective of the work
AB
TRC
7/29/2017
1
Refractive index (Na D-line)
Standard Abbe refractometry
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Temperature, K
Liquid
2
Pressure, kPa
Liquid
1
303.15
5
2
101.325
6
1
1.3701
5
1
0.004
4
1
1
2
1
4
1
Principal objective of the work
AB
TRC
7/29/2017
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
1
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
101.3
4
1
Temperature, K
Liquid mixture 1
2
Mole fraction
1
Liquid mixture 2
1
298.15
5
2
0.0237
3
1
0.0023
2
1
0.0012
2
0.3612
4
1
0.0028
3
0.1501
4
1
298.15
5
2
0.0004
1
1
0.0097
2
1
0.0026
2
0.0464
3
1
0.0148
3
0.7608
4
1
298.15
5
2
0
5
1
0.0139
3
1
0.0012
2
0
5
3
0.8285
4
1
298.15
5
2
0.016
3
1
0.0034
2
1
0.0012
2
0.3632
4
1
0.0042
3
0.2326
4
1
298.15
5
2
0.0105
3
1
0.0036
2
1
0.0012
2
0.3355
4
1
0.0089
3
0.3127
4
1
298.15
5
2
0.0074
2
1
0.004
2
1
0.0012
2
0.2989
4
1
0.0111
3
0.3839
4
1
298.15
5
2
0.0056
2
1
0.0053
2
1
0.0012
2
0.2646
4
1
0.0121
3
0.4426
4
1
298.15
5
2
0.0037
2
1
0.0066
2
1
0.0012
2
0.2378
4
1
0.0129
3
0.4867
4
1
298.15
5
2
0.0016
2
1
0.0076
2
1
0.0012
2
0.1248
4
1
0.0132
3
0.6619
4
1
298.15
5
2
0.0009
1
1
0.0087
2
1
0.0014
2
0.0877
3
1
0.0158
3
0.7139
4
1
298.15
5
2
0.0009
1
1
0.0095
2
1
0.0014
2
0.0746
3
1
0.0157
3
0.7286
4
1
318.15
5
2
0.0234
3
1
0.0026
2
1
0.0012
2
0.3425
4
1
0.0027
3
0.1457
4
1
318.15
5
2
0.0007
1
1
0.0093
2
1
0.0017
2
0.0715
3
1
0.0154
3
0.6989
4
1
318.15
5
2
0.0004
1
1
0.0097
2
1
0.0021
2
0.0524
3
1
0.0149
3
0.724
4
1
318.15
5
2
0
5
1
0.0117
3
1
0.0012
2
0
5
3
0.7946
4
1
318.15
5
2
0.0172
3
1
0.0033
2
1
0.0012
2
0.3427
4
1
0.0041
3
0.2206
4
1
318.15
5
2
0.0117
3
1
0.0044
2
1
0.0012
2
0.3197
4
1
0.0081
3
0.292
4
1
318.15
5
2
0.0073
2
1
0.0052
2
1
0.0012
2
0.2835
4
1
0.0097
3
0.3742
4
1
318.15
5
2
0.0055
2
1
0.0054
2
1
0.0012
2
0.2512
4
1
0.011
3
0.4371
4
1
318.15
5
2
0.0046
2
1
0.0065
2
1
0.0012
2
0.2239
4
1
0.0133
3
0.4843
4
1
318.15
5
2
0.0015
2
1
0.0073
2
1
0.0012
2
0.1292
4
1
0.0139
3
0.6243
4
1
318.15
5
2
0.0009
1
1
0.0078
2
1
0.0015
2
0.0868
3
1
0.0154
3
0.6805
4
5
1
1
3
1
4
1
Principal objective of the work
AB
TRC
7/29/2017
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
1
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
101.3
4
1
Temperature, K
Liquid mixture 1
2
Mole fraction
1
Liquid mixture 2
1
298.15
5
2
0.0378
3
1
0.0006
1
1
0.0006
2
0.3363
4
1
0.009
3
0.0849
3
1
298.15
5
2
0.0228
3
1
0.0007
1
1
0.0007
2
0.3701
4
1
0.0071
3
0.1636
4
1
298.15
5
2
0.0173
3
1
0.0009
1
1
0.0009
2
0.3784
4
1
0.0031
3
0.2179
4
1
298.15
5
2
0.0152
3
1
0.001
2
1
0.001
2
0.3744
4
1
0.005
3
0.2534
4
1
298.15
5
2
0.011
3
1
0.0014
2
1
0.0012
2
0.3601
4
1
0.0062
3
0.3114
4
1
298.15
5
2
0.0084
2
1
0.0016
2
1
0.0012
2
0.3409
4
1
0.0097
3
0.3753
4
1
298.15
5
2
0.006
2
1
0.0019
2
1
0.0012
2
0.2659
4
1
0.0139
3
0.5179
4
1
298.15
5
2
0
5
1
0.0064
2
1
0.0012
2
0
5
3
0.8792
4
1
318.15
5
2
0.0155
3
1
0.0016
2
1
0.0012
2
0.3465
4
1
0.0041
3
0.262
4
1
318.15
5
2
0.0105
3
1
0.0018
2
1
0.0012
2
0.3346
4
1
0.0061
3
0.3296
4
1
318.15
5
2
0.0082
2
1
0.0021
2
1
0.0012
2
0.3146
4
1
0.0113
3
0.3752
4
1
318.15
5
2
0.0064
2
1
0.0023
2
1
0.0012
2
0.2472
4
1
0.0131
3
0.4899
4
1
318.15
5
2
0
5
1
0.0042
2
1
0.0012
2
0
5
3
0.8623
4
1
318.15
5
2
0.0183
3
1
0.0012
2
1
0.0012
2
0.3532
4
1
0.0037
3
0.2063
4
1
318.15
5
2
0.0203
3
1
0.0011
2
1
0.0011
2
0.3327
4
1
0.0077
3
0.1495
4
6
2
1
4
1
Principal objective of the work
AB
TRC
7/29/2017
1
Mole 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
298.15
5
1
0.0139
3
1
0.0012
1
318.15
5
1
0.0117
3
1
0.0012
7
2
1
4
1
Principal objective of the work
AB
TRC
7/29/2017
1
Mole 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
298.15
5
1
0.8285
4
1
0.02
1
318.15
5
1
0.7946
4
1
0.0201
8
3
1
4
1
Principal objective of the work
AB
TRC
7/29/2017
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
Pressure, kPa
Liquid mixture 2
101.3
4
1
Temperature, K
Liquid mixture 1
1
318.15
5
1
0.0042
2
1
0.0012
1
298.15
5
1
0.0064
2
1
0.0012
9
3
1
4
1
Principal objective of the work
AB
TRC
7/29/2017
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
Pressure, kPa
Liquid mixture 2
101.3
4
1
Temperature, K
Liquid mixture 1
1
318.15
5
1
0.8623
4
1
0.02
1
298.15
5
1
0.8792
4
1
0.02