2
0
2011
bej
gut
0
journal
Original
Bejarano, A.[Arturo]
Gutierrez, J. E.[Jorge E.]
Araus, K. A.[Karina A.]
Fuente, J. C. d. l.[Juan C. de la]
J. Chem. Thermodyn.
2011
2020-09-29
Measurement and modeling of high-pressure (vapor + liquid) equilibria of (CO2 + alkanol) binary systems
Complementary isothermal (vapor + liquid) equilibria data are reported for the (CO2 + 3-methyl-2-butanol), (CO2 + 2-pentanol), and (CO2 + 3-pentanol) binary systems at temperatures of (313, 323, and 333) K, and at pressure range of (2 to 11) MPa. For all (CO2 + alcohol) systems, it was visually monitored that there was no liquid immiscibility at the temperatures and pressures studied. The experimental data were correlated with the Peng-Robinson equation of state using the quadratic mixing rules of van der Waals with two adjustable parameters. The calculated (vapor + liquid) equilibria compositions were found to be in good agreement with the experimental data with deviations for the mole fractions less than 8 % and less than 2 % for the liquid and vapor phase, respectively.
Experimental data
Peng-Robinson
(Vapour + liquid) equilibria
Carbon dioxide
3-Methyl-2-butanol
2-Pentanol
3-Pentanol
10.1016/j.jct.2010.12.018
5
43
759-763
1
InChI=1S/CO2/c2-1-3
CURLTUGMZLYLDI-UHFFFAOYSA-N
carbon dioxide
CO2
1
Commercial source
1
99.999
5
Stated by supplier
2
InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3
MXLMTQWGSQIYOW-UHFFFAOYSA-N
3-methyl-2-butanol
2-butanol, 3-methyl-
C5H12O
1
Commercial source
1
98
2
Stated by supplier
3
InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3
JYVLIDXNZAXMDK-UHFFFAOYSA-N
pentan-2-ol
(R,S)-2-pentanol
2-pentanol
dl-2-pentanol
C5H12O
1
Commercial source
1
98
2
Stated by supplier
4
InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3
AQIXEPGDORPWBJ-UHFFFAOYSA-N
3-pentanol
C5H12O
1
Commercial source
1
98
2
Stated by supplier
1
1
1
2
1
Principal objective of the work
PW
TRC
7/29/2011
1
Vapor or sublimation pressure, kPa
Closed cell (Static) method
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Mole fraction
1
Liquid
2
Temperature, K
Liquid
1
0.105
4
2
333.2
4
1
2212
4
1
35
1
0.1318
4
2
323.2
4
1
2147
4
1
34
1
0.1361
4
2
313.2
4
1
2211
4
1
34
1
0.1781
4
2
333.2
4
1
3250
3
1
49
1
0.1945
4
2
313.2
4
1
2952
4
1
43
1
0.1956
4
2
323.2
4
1
3121
4
1
50
1
0.2563
4
2
333.2
4
1
4264
4
1
67
1
0.2571
4
2
313.2
4
1
3571
4
1
52
1
0.2864
4
2
323.2
4
1
4237
4
1
67
1
0.3219
4
2
333.2
4
1
5151
4
1
74
1
0.3578
4
2
323.2
4
1
5105
4
1
81
1
0.4012
4
2
313.2
4
1
5029
4
1
73
1
0.4462
4
2
333.2
4
1
6534
4
1
97
1
0.4772
4
2
313.2
4
1
5553
4
1
71
1
0.4868
4
2
323.2
4
1
6584
4
1
101
1
0.5462
4
2
333.2
4
1
7710
3
1
100
1
0.6157
4
2
323.2
4
1
7838
4
1
91
1
0.633
4
2
333.2
4
1
8325
4
1
99
1
0.7099
4
2
313.2
4
1
6978
4
1
93
1
0.7506
4
2
323.2
4
1
8602
4
1
88
1
0.7748
4
2
333.2
4
1
9579
4
1
126
1
0.8556
4
2
323.2
4
1
9078
4
1
76
1
0.8609
4
2
333.2
4
1
10249
5
1
133
1
0.9055
4
2
313.2
4
1
7657
4
1
89
2
1
1
2
1
Principal objective of the work
PW
TRC
7/29/2011
1
Mole fraction
Density calibration data
1
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Gas
Liquid
1
Mole fraction
1
Liquid
2
Temperature, K
Gas
1
0.105
4
2
333.2
4
1
0.9762
4
1
0.0156
1
0.1318
4
2
323.2
4
1
0.9681
4
1
0.0155
1
0.1361
4
2
313.2
4
1
0.9717
4
1
0.0156
1
0.1781
4
2
333.2
4
1
0.9764
4
1
0.0156
1
0.1945
4
2
313.2
4
1
0.9805
4
1
0.0157
1
0.1956
4
2
323.2
4
1
0.9778
4
1
0.0156
1
0.2563
4
2
333.2
4
1
0.9799
4
1
0.0157
1
0.2571
4
2
313.2
4
1
0.9794
4
1
0.0157
1
0.2864
4
2
323.2
4
1
0.9806
4
1
0.0157
1
0.3219
4
2
333.2
4
1
0.9793
4
1
0.0157
1
0.3578
4
2
323.2
4
1
0.9806
4
1
0.0157
1
0.4012
4
2
313.2
4
1
0.9842
4
1
0.0157
1
0.4462
4
2
333.2
4
1
0.989
4
1
0.011
1
0.4772
4
2
313.2
4
1
0.983
4
1
0.0157
1
0.4868
4
2
323.2
4
1
0.9879
4
1
0.0121
1
0.5462
4
2
333.2
4
1
0.9914
4
1
0.0086
1
0.6157
4
2
323.2
4
1
0.9932
4
1
0.0068
1
0.633
4
2
333.2
4
1
0.9908
4
1
0.0092
1
0.7099
4
2
313.2
4
1
0.9956
4
1
0.0044
1
0.7506
4
2
323.2
4
1
0.9936
4
1
0.0064
1
0.7748
4
2
333.2
4
1
0.9929
4
1
0.0071
1
0.8556
4
2
323.2
4
1
0.9916
4
1
0.0084
1
0.8609
4
2
333.2
4
1
0.9906
4
1
0.0094
1
0.9055
4
2
313.2
4
1
0.991
4
1
0.009
3
1
1
3
1
Principal objective of the work
PW
TRC
7/29/2011
1
Vapor or sublimation pressure, kPa
Closed cell (Static) method
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Mole fraction
1
Liquid
2
Temperature, K
Liquid
1
0.096
3
2
333.2
4
1
2255
4
1
38
1
0.0978
3
2
323.2
4
1
2026
4
1
38
1
0.1022
4
2
313.2
4
1
2002
4
1
37
1
0.1492
4
2
333.2
4
1
3022
4
1
59
1
0.1752
4
2
323.2
4
1
3228
4
1
67
1
0.2066
4
2
313.2
4
1
3437
4
1
67
1
0.2171
4
2
333.2
4
1
4132
4
1
83
1
0.2519
4
2
323.2
4
1
4388
4
1
96
1
0.2681
4
2
313.2
4
1
4135
4
1
76
1
0.2901
4
2
333.2
4
1
5180
3
1
112
1
0.3142
4
2
323.2
4
1
5341
4
1
86
1
0.317
4
2
333.2
4
1
5738
4
1
126
1
0.3667
4
2
333.2
4
1
6445
4
1
119
1
0.3676
4
2
313.2
4
1
5233
4
1
95
1
0.4246
4
2
323.2
4
1
6258
4
1
92
1
0.4539
4
2
333.2
4
1
7536
4
1
129
1
0.483
4
2
313.2
4
1
6270
3
1
94
1
0.5482
4
2
323.2
4
1
7272
4
1
122
1
0.5539
4
2
333.2
4
1
8523
4
1
146
1
0.5949
4
2
323.2
4
1
7679
4
1
104
1
0.6111
4
2
313.2
4
1
7097
4
1
73
1
0.6798
4
2
333.2
4
1
9818
4
1
162
1
0.7008
4
2
323.2
4
1
8407
4
1
127
1
0.7691
4
2
323.2
4
1
8772
4
1
122
1
0.7841
4
2
333.2
4
1
10587
5
1
158
1
0.8212
4
2
323.2
4
1
9034
4
1
166
1
0.8778
4
2
313.2
4
1
7954
4
1
88
4
1
1
3
1
Principal objective of the work
PW
TRC
7/29/2011
1
Mole fraction
Density calibration data
1
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Gas
Liquid
1
Mole fraction
1
Liquid
2
Temperature, K
Gas
1
0.096
3
2
333.2
4
1
0.9687
4
1
0.0313
1
0.0978
3
2
323.2
4
1
0.9645
4
1
0.0355
1
0.1022
4
2
313.2
4
1
0.9766
4
1
0.0234
1
0.1492
4
2
333.2
4
1
0.9699
4
1
0.0301
1
0.1752
4
2
323.2
4
1
0.981
4
1
0.019
1
0.2066
4
2
313.2
4
1
0.985
4
1
0.015
1
0.2171
4
2
333.2
4
1
0.9855
4
1
0.0145
1
0.2519
4
2
323.2
4
1
0.9827
4
1
0.0173
1
0.2681
4
2
313.2
4
1
0.9807
4
1
0.0193
1
0.2901
4
2
333.2
4
1
0.9834
4
1
0.0166
1
0.3142
4
2
323.2
4
1
0.9844
4
1
0.0156
1
0.317
4
2
333.2
4
1
0.9845
4
1
0.0155
1
0.3667
4
2
333.2
4
1
0.9893
4
1
0.0107
1
0.3676
4
2
313.2
4
1
0.9939
4
1
0.0061
1
0.4246
4
2
323.2
4
1
0.989
4
1
0.011
1
0.4539
4
2
333.2
4
1
0.9924
4
1
0.0076
1
0.483
4
2
313.2
4
1
0.9895
4
1
0.0105
1
0.5482
4
2
323.2
4
1
0.9912
4
1
0.0088
1
0.5539
4
2
333.2
4
1
0.9931
4
1
0.0069
1
0.5949
4
2
323.2
4
1
0.9915
4
1
0.0085
1
0.6111
4
2
313.2
4
1
0.9912
4
1
0.0088
1
0.6798
4
2
333.2
4
1
0.9916
4
1
0.0084
1
0.7008
4
2
323.2
4
1
0.9921
4
1
0.0079
1
0.7691
4
2
323.2
4
1
0.9927
4
1
0.0073
1
0.7841
4
2
333.2
4
1
0.9916
4
1
0.0084
1
0.8212
4
2
323.2
4
1
0.9913
4
1
0.0087
1
0.8778
4
2
313.2
4
1
0.9929
4
1
0.0071
5
1
1
4
1
Principal objective of the work
PW
TRC
7/29/2011
1
Vapor or sublimation pressure, kPa
Closed cell (Static) method
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Mole fraction
1
Liquid
2
Temperature, K
Liquid
1
0.0957
3
2
333.2
4
1
1942
4
1
31
1
0.1123
4
2
313.2
4
1
2023
4
1
31
1
0.1208
4
2
323.2
4
1
2357
4
1
37
1
0.1704
4
2
333.2
4
1
3138
4
1
50
1
0.1802
4
2
323.2
4
1
3196
4
1
46
1
0.1977
4
2
313.2
4
1
3122
4
1
49
1
0.2512
4
2
333.2
4
1
4338
4
1
70
1
0.2626
4
2
323.2
4
1
4201
4
1
64
1
0.274
4
2
313.2
4
1
4052
4
1
63
1
0.3117
4
2
333.2
4
1
5183
4
1
78
1
0.3172
4
2
323.2
4
1
4936
4
1
64
1
0.3467
4
2
313.2
4
1
4898
4
1
68
1
0.4035
4
2
333.2
4
1
6353
4
1
101
1
0.4046
4
2
323.2
4
1
5677
4
1
84
1
0.4368
4
2
323.2
4
1
6256
4
1
93
1
0.4555
4
2
313.2
4
1
5871
4
1
73
1
0.4769
4
2
333.2
4
1
7325
4
1
97
1
0.5212
4
2
323.2
4
1
7051
4
1
86
1
0.584
4
2
333.2
4
1
8281
4
1
93
1
0.5952
4
2
323.2
4
1
7559
4
1
89
1
0.6102
4
2
313.2
4
1
6981
4
1
67
1
0.6919
4
2
333.2
4
1
9035
4
1
102
1
0.7232
4
2
323.2
4
1
8541
4
1
87
1
0.8311
4
2
323.2
4
1
8917
4
1
78
1
0.8424
4
2
333.2
4
1
10207
5
1
132
1
0.9072
4
2
313.2
4
1
8056
4
1
79
6
1
1
4
1
Principal objective of the work
PW
TRC
7/29/2011
1
Mole fraction
Density calibration data
1
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Gas
Liquid
1
Mole fraction
1
Liquid
2
Temperature, K
Gas
1
0.0957
3
2
333.2
4
1
0.9773
4
1
0.0195
1
0.1123
4
2
313.2
4
1
0.9678
4
1
0.0194
1
0.1208
4
2
323.2
4
1
0.9819
4
1
0.0181
1
0.1704
4
2
333.2
4
1
0.9776
4
1
0.0196
1
0.1802
4
2
323.2
4
1
0.9799
4
1
0.0196
1
0.1977
4
2
313.2
4
1
0.9763
4
1
0.0195
1
0.2512
4
2
333.2
4
1
0.9785
4
1
0.0196
1
0.2626
4
2
323.2
4
1
0.9799
4
1
0.0196
1
0.274
4
2
313.2
4
1
0.9797
4
1
0.0196
1
0.3117
4
2
333.2
4
1
0.9821
4
1
0.0179
1
0.3172
4
2
323.2
4
1
0.9894
4
1
0.0106
1
0.3467
4
2
313.2
4
1
0.9761
4
1
0.0195
1
0.4035
4
2
333.2
4
1
0.9902
4
1
0.0098
1
0.4046
4
2
323.2
4
1
0.9843
4
1
0.0157
1
0.4368
4
2
323.2
4
1
0.9904
4
1
0.0096
1
0.4555
4
2
313.2
4
1
0.9836
4
1
0.0164
1
0.4769
4
2
333.2
4
1
0.9927
4
1
0.0073
1
0.5212
4
2
323.2
4
1
0.9935
4
1
0.0065
1
0.584
4
2
333.2
4
1
0.9925
4
1
0.0075
1
0.5952
4
2
323.2
4
1
0.9942
4
1
0.0058
1
0.6102
4
2
313.2
4
1
0.9909
4
1
0.0091
1
0.6919
4
2
333.2
4
1
0.9919
4
1
0.0081
1
0.7232
4
2
323.2
4
1
0.9919
4
1
0.0081
1
0.8311
4
2
323.2
4
1
0.991
4
1
0.009
1
0.8424
4
2
333.2
4
1
0.9912
4
1
0.0088
1
0.9072
4
2
313.2
4
1
0.9914
4
1
0.0086