2
0
2011
hua
yao
0
journal
Original
Huang, G.[Guoqiang]
Yao, S.[Shuaipeng]
Zhao, Y.[Yuchen]
Liu, L.[Liyan]
J. Chem. Eng. Data
2011
2020-09-29
Isobaric Vapor Liquid Equilibrium for Binary Systems of Toluene + Acrylic Acid, Toluene + Acetic Acid, and Cyclohexane + Acrylic Acid at 20 kPa
Vapor liquid equilibrium (VLE) data for toluene + acrylic acid, toluene + acetic acid, and cyclohexane + acrylic acid systems have been determined at 20 kPa (absolute pressure) using a circulating VLE still. The Hayden and O'Connell equation has been used to account for the nonideality of the vapor phase. The experimental data were checked both with the Herington consistency test and point consistency test methods, which showed thermodynamic consistency. Only the toluene and acetic acid system presents an azeotrope at 20 kPa and 332.29 K with the mole fraction of toluene as 0.525. All equilibrium data were correlated with Wilson, nonrandom two-liquid (NRTL), and universal quasichemical (UNIQUAC) activity coefficient models to obtain the binary interaction parameters of these models using Aspen Plus commercial software to introduce them in the simulation model.
10.1021/je200655s
10
56
3914-3919
1
InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
NIXOWILDQLNWCW-UHFFFAOYSA-N
propenoic acid
acrylic acid
vinylformic acid
C3H4O2
1
Commercial source
1
99.5
3
Gas chromatography
2
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
QTBSBXVTEAMEQO-UHFFFAOYSA-N
acetic acid
ethanoic acid
methanecarboxylic acid
C2H4O2
1
Commercial source
1
Fractional distillation
2
99.5
3
Gas chromatography
3
InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
YXFVVABEGXRONW-UHFFFAOYSA-N
toluene
methylbenzene
C7H8
1
Commercial source
1
99.5
3
Gas chromatography
4
InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
XDTMQSROBMDMFD-UHFFFAOYSA-N
cyclohexane
C6H12
1
Commercial source
1
99.5
3
Gas chromatography
5
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
ethanol
ethyl alcohol
C2H6O
1
Commercial source
1
99.7
3
Gas chromatography
6
InChI=1S/H2O/h1H2
XLYOFNOQVPJJNP-UHFFFAOYSA-N
water
H2O
1
Commercial source
1
99.9
3
Estimated by the compiler
1
1
1
Principal objective of the work
RDC
XXX
10/11/2011
1
Vapor or sublimation pressure, kPa
EBULLIO:UFactor:4
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Temperature, K
Liquid
1
368.4
5
1
20
1
1
0.51
2
2
1
Principal objective of the work
RDC
XXX
10/11/2011
1
Vapor or sublimation pressure, kPa
EBULLIO:UFactor:4
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Temperature, K
Liquid
1
345.27
5
1
20
1
1
0.51
3
3
1
Principal objective of the work
RDC
XXX
10/11/2011
1
Vapor or sublimation pressure, kPa
EBULLIO:UFactor:4
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Temperature, K
Liquid
1
335.25
5
1
20
1
1
0.51
4
4
1
Principal objective of the work
RDC
XXX
10/11/2011
1
Vapor or sublimation pressure, kPa
EBULLIO:UFactor:4
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Temperature, K
Liquid
1
308.07
5
1
20
1
1
0.51
5
5
1
6
1
Principal objective of the work
MRM
TRC
10/11/2011
1
Boiling temperature at pressure P, K
EBULLIO:UFactor:4
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Pressure, kPa
Liquid
50.66
4
1
Mole fraction
5
Liquid
1
0.0082
2
1
352.35
5
1
1.96
1
0.0229
3
1
348.91
5
1
0.99
1
0.0298
3
1
349.77
5
1
1.07
1
0.0541
3
1
347.76
5
1
0.92
1
0.0621
3
1
345.73
5
1
0.65
1
0.1842
4
1
341.01
5
1
0.57
1
0.2529
4
1
337.97
5
1
0.5
1
0.297
4
1
337.75
5
1
0.4
1
0.3594
4
1
337.42
5
1
0.45
1
0.3739
4
1
337.13
5
1
0.45
1
0.473
4
1
336.15
5
1
0.41
1
0.5949
4
1
335.51
5
1
0.4
1
0.7017
4
1
334.94
5
1
0.4
1
0.8214
4
1
334.57
5
1
0.4
1
0.9313
4
1
334.28
5
1
0.44
1
0.9435
4
1
334.49
5
1
0.44
6
5
1
6
1
Principal objective of the work
MRM
TRC
10/11/2011
1
Mole fraction
CHROM:UFactor:4
5
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Gas
Liquid
1
Pressure, kPa
Liquid
50.66
4
1
Mole fraction
5
Liquid
1
0.0082
2
1
0.1538
4
1
0.0494
1
0.0229
3
1
0.24
4
1
0.0331
1
0.0298
3
1
0.2144
4
1
0.0347
1
0.0541
3
1
0.3024
4
1
0.0389
1
0.0621
3
1
0.3741
4
1
0.0237
1
0.1842
4
1
0.5151
4
1
0.0216
1
0.2529
4
1
0.554
4
1
0.0191
1
0.297
4
1
0.5828
4
1
0.0179
1
0.3594
4
1
0.603
4
1
0.0169
1
0.3739
4
1
0.6061
4
1
0.0168
1
0.473
4
1
0.6445
4
1
0.0162
1
0.5949
4
1
0.6925
4
1
0.0153
1
0.7017
4
1
0.7555
4
1
0.0143
1
0.8214
4
1
0.8279
4
1
0.014
1
0.9313
4
1
0.9351
4
1
0.0128
1
0.9435
4
1
0.9445
4
1
0.0128
7
1
1
3
1
Principal objective of the work
MRM
TRC
10/11/2011
1
Boiling temperature at pressure P, K
EBULLIO:UFactor:4
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Pressure, kPa
Liquid
20
1
1
Mole fraction
3
Liquid
1
0
2
1
368.4
5
1
0.51
1
0.0253
3
1
365.82
5
1
1.3
1
0.0567
3
1
361.67
5
1
1.1
1
0.1209
4
1
356.29
5
1
0.94
1
0.1711
4
1
352.72
5
1
0.86
1
0.2151
4
1
349.77
5
1
0.79
1
0.2492
4
1
348.05
5
1
0.65
1
0.3213
4
1
345.44
5
1
0.6
1
0.3779
4
1
344.02
5
1
0.57
1
0.4064
4
1
343.32
5
1
0.55
1
0.5035
4
1
341.39
5
1
0.55
1
0.5301
4
1
340.59
5
1
0.54
1
0.5644
4
1
340.3
5
1
0.52
1
0.6371
4
1
339.3
5
1
0.53
1
0.7209
4
1
337.87
5
1
0.54
1
0.7731
4
1
336.95
5
1
0.52
1
0.8264
4
1
336.78
5
1
0.51
1
0.8589
4
1
336.44
5
1
0.52
1
1
5
1
335.25
5
1
0.51
8
1
1
3
1
Principal objective of the work
MRM
TRC
10/11/2011
1
Mole fraction
CHROM:UFactor:4
3
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Gas
Liquid
1
Pressure, kPa
Liquid
20
1
1
Mole fraction
3
Liquid
1
0
2
1
0
2
1
0.0253
3
1
0.108
4
1
0.0381
1
0.0567
3
1
0.2087
4
1
0.0315
1
0.1209
4
1
0.3876
4
1
0.0299
1
0.1711
4
1
0.4918
4
1
0.0279
1
0.2151
4
1
0.5746
4
1
0.0235
1
0.2492
4
1
0.6112
4
1
0.0191
1
0.3213
4
1
0.676
4
1
0.0176
1
0.3779
4
1
0.7319
4
1
0.0162
1
0.4064
4
1
0.7502
4
1
0.0137
1
0.5035
4
1
0.7814
4
1
0.0133
1
0.5301
4
1
0.8136
4
1
0.0133
1
0.5644
4
1
0.819
4
1
0.0126
1
0.6371
4
1
0.8588
4
1
0.0119
1
0.7209
4
1
0.8863
4
1
0.0115
1
0.7731
4
1
0.9164
4
1
0.011
1
0.8264
4
1
0.9234
4
1
0.0105
1
0.8589
4
1
0.9344
4
1
0.0108
1
1
5
1
1
5
9
2
1
3
1
Principal objective of the work
MRM
TRC
10/11/2011
1
Boiling temperature at pressure P, K
EBULLIO:UFactor:4
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Pressure, kPa
Liquid
20
1
1
Mole fraction
3
Liquid
1
0
2
1
345.27
5
1
0.51
1
0.0181
3
1
343.62
5
1
0.83
1
0.0552
3
1
341.53
5
1
0.82
1
0.0886
3
1
339.06
5
1
0.8
1
0.1249
4
1
337.25
5
1
0.73
1
0.1551
4
1
335.62
5
1
0.63
1
0.1952
4
1
334.66
5
1
0.55
1
0.2213
4
1
334.29
5
1
0.53
1
0.261
4
1
333.67
5
1
0.52
1
0.3068
4
1
333.33
5
1
0.52
1
0.3549
4
1
332.72
5
1
0.52
1
0.4001
4
1
332.61
5
1
0.51
1
0.4721
4
1
332.48
5
1
0.51
1
0.5175
4
1
332.35
5
1
0.51
1
0.5785
4
1
332.3
5
1
0.51
1
0.6652
4
1
332.65
5
1
0.51
1
0.7791
4
1
333.62
5
1
0.52
1
0.8773
4
1
334.46
5
1
0.52
1
1
5
1
335.25
5
1
0.51
10
2
1
3
1
Principal objective of the work
MRM
TRC
10/11/2011
1
Mole fraction
CHROM:UFactor:4
3
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Gas
Liquid
1
Pressure, kPa
Liquid
20
1
1
Mole fraction
3
Liquid
1
0
2
1
0
2
1
0.0181
3
1
0.0534
3
1
0.0251
1
0.0552
3
1
0.129
4
1
0.0248
1
0.0886
3
1
0.2106
4
1
0.0255
1
0.1249
4
1
0.2851
4
1
0.0231
1
0.1551
4
1
0.3327
4
1
0.0188
1
0.1952
4
1
0.3645
4
1
0.0178
1
0.2213
4
1
0.3855
4
1
0.0193
1
0.261
4
1
0.4296
4
1
0.0188
1
0.3068
4
1
0.4396
4
1
0.0182
1
0.3549
4
1
0.4556
4
1
0.0192
1
0.4001
4
1
0.4875
4
1
0.0199
1
0.4721
4
1
0.5078
4
1
0.0199
1
0.5175
4
1
0.5319
4
1
0.0197
1
0.5785
4
1
0.5693
4
1
0.0186
1
0.6652
4
1
0.6116
4
1
0.018
1
0.7791
4
1
0.705
4
1
0.0175
1
0.8773
4
1
0.828
4
1
0.0177
1
1
5
1
1
5
11
1
1
4
1
Principal objective of the work
MRM
TRC
10/11/2011
1
Boiling temperature at pressure P, K
EBULLIO:UFactor:4
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Pressure, kPa
Liquid
20
1
1
Mole fraction
4
Liquid
1
0
2
1
368.4
5
1
0.51
1
0.0079
2
1
363.3
5
1
4.49
1
0.0146
3
1
359.23
5
1
5.91
1
0.0273
3
1
352.35
5
1
4.63
1
0.0499
3
1
342.82
5
1
3.57
1
0.0746
3
1
335.61
5
1
2.66
1
0.0902
3
1
332.43
5
1
1.73
1
0.1
4
1
330.62
5
1
1.75
1
0.129
4
1
326.47
5
1
1.44
1
0.1431
4
1
324.89
5
1
1.23
1
0.2121
4
1
319.94
5
1
0.68
1
0.3344
4
1
315.92
5
1
0.58
1
0.3992
4
1
314.8
5
1
0.53
1
0.5062
4
1
313.49
5
1
0.52
1
0.5728
4
1
312.89
5
1
0.52
1
0.6103
4
1
312.55
5
1
0.52
1
0.722
4
1
311.58
5
1
0.52
1
0.8911
4
1
309.82
5
1
0.53
1
1
5
1
308.07
5
1
0.51
12
1
1
4
1
Principal objective of the work
MRM
TRC
10/11/2011
1
Mole fraction
CHROM:UFactor:4
4
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Gas
Liquid
1
Pressure, kPa
Liquid
20
1
1
Mole fraction
4
Liquid
1
0
2
1
0
2
1
0.0079
2
1
0.1474
4
1
0.1086
1
0.0146
3
1
0.2538
4
1
0.1523
1
0.0273
3
1
0.4127
4
1
0.0968
1
0.0499
3
1
0.5966
4
1
0.0649
1
0.0746
3
1
0.71
4
1
0.0428
1
0.0902
3
1
0.7571
4
1
0.0213
1
0.1
4
1
0.7793
4
1
0.0217
1
0.129
4
1
0.8071
4
1
0.0157
1
0.1431
4
1
0.8235
4
1
0.0165
1
0.2121
4
1
0.8848
4
1
0.0115
1
0.3344
4
1
0.9063
4
1
0.0106
1
0.3992
4
1
0.9151
4
1
0.0105
1
0.5062
4
1
0.9241
4
1
0.0104
1
0.5728
4
1
0.9267
4
1
0.0104
1
0.6103
4
1
0.9391
4
1
0.0103
1
0.722
4
1
0.9508
4
1
0.0102
1
0.8911
4
1
0.9755
4
1
0.0102
1
1
5
1
1
5