2
0
2009
xie
sna
0
journal
Original
Xie, Z.[Zhuanzhuan]
Snavely, W. K.[William K.]
Scurto, A. M.[Aaron M.]
Subramaniam, B.[Bala]
J. Chem. Eng. Data
2009
2020-09-29
Solubilities of CO and H2 in Neat and CO2-Expanded Hydroformylation Reaction Mixtures Containing 1-Octene and Nonanal up to 353.15 K and 9 MPa
Accurate knowledge of the phase equilibria of CO2-expanded hydroformylation reaction mixtures is essential to rational process design and development. Vapor-liquid equilibria of the following systems were measured in a variable-volume view cell at temperatures ranging from (313.15 to 353.15) K and pressures up to 9 MPa: CO + 1-octene, CO2 + 1-octene, CO + 1-octene + CO2, CO + nonanal, CO2 + nonanal, CO + nonanal + CO2, H2 + 1-octene, H2 + 1-octene + CO2, H2 + nonanal, and H2 + nonanal + CO2. The measured solubilities of CO and H2 in the liquid phases were consistent with literature values. The presence of CO2 was found to enhance the solubilities of both CO and H2 in the liquid phase. The enhancement factor is up to 1.54 for carbon monoxide and 1.82 for hydrogen. The Peng-Robinson equation of state (PR EoS) with van der Waals mixing rules and binary interaction parameters modeled the VLE data adequately, with much better fits for the 1-octene systems compared to the more polar nonanal systems.
10.1021/je900148e
5
54
1633-1642
1
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
KWKAKUADMBZCLK-UHFFFAOYSA-N
oct-1-ene
1-octene
caprylene
C8H16
1
Commercial source
1
99
2
Stated by supplier
2
InChI=1S/CO2/c2-1-3
CURLTUGMZLYLDI-UHFFFAOYSA-N
carbon dioxide
CO2
1
Commercial source
1
99.5
3
Stated by supplier
3
InChI=1S/CO/c1-2
UGFAIRIUMAVXCW-UHFFFAOYSA-N
carbon monoxide
CO
1
Commercial source
1
99
2
Stated by supplier
4
InChI=1S/H2/h1H
UFHFLCQGNIYNRP-UHFFFAOYSA-N
hydrogen
hydrogen (normal)
H2
1
Commercial source
1
99.99
4
Stated by supplier
5
InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3
GYHFUZHODSMOHU-UHFFFAOYSA-N
nonanal
nonylaldehyde
pelargonic aldehyde
C9H18O
1
Commercial source
1
99
2
Stated by supplier
1
1
1
3
1
Principal objective of the work
KRP
TRC
7/21/2009
1
Vapor or sublimation pressure, kPa
Closed cell (Static) method
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Gas
Liquid
1
Mole fraction
3
Liquid
2
Temperature, K
Liquid
1
0.015
2
2
313.15
5
1
930
2
1
100
1
0.017
2
2
333.15
5
1
1000
1
1
110
1
0.021
2
2
353.15
5
1
1340
3
1
120
1
0.036
2
2
313.15
5
1
2200
2
1
220
1
0.036
2
2
333.15
5
1
2200
2
1
260
1
0.036
2
2
353.15
5
1
2200
2
1
230
1
0.058
2
2
333.15
5
1
3600
2
1
390
1
0.068
2
2
313.15
5
1
4100
2
1
430
1
0.074
2
2
353.15
5
1
4620
3
1
490
1
0.087
2
2
313.15
5
1
5400
2
1
570
1
0.095
2
2
333.15
5
1
6170
3
1
600
1
0.095
2
2
353.15
5
1
6160
3
1
690
1
0.116
3
2
313.15
5
1
7230
3
1
680
1
0.127
3
2
353.15
5
1
8450
3
1
910
1
0.141
3
2
313.15
5
1
8550
3
1
750
1
0.141
3
2
333.15
5
1
8880
3
1
830
2
1
1
3
1
Principal objective of the work
KRP
TRC
7/21/2009
1
Mole fraction
Chromatography
3
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Gas
Liquid
1
Mole fraction
3
Liquid
2
Temperature, K
Liquid
1
0.015
2
2
313.15
5
1
0.992
3
1
0.008
1
0.017
2
2
333.15
5
1
0.987
3
1
0.013
1
0.021
2
2
353.15
5
1
0.967
3
1
0.033
1
0.036
2
2
313.15
5
1
0.995
3
1
0.005
1
0.036
2
2
333.15
5
1
0.99
3
1
0.01
1
0.036
2
2
353.15
5
1
0.982
3
1
0.018
1
0.058
2
2
333.15
5
1
0.992
3
1
0.008
1
0.068
2
2
313.15
5
1
0.996
3
1
0.004
1
0.074
2
2
353.15
5
1
0.988
3
1
0.012
1
0.087
2
2
313.15
5
1
0.997
3
1
0.003
1
0.095
2
2
333.15
5
1
0.994
3
1
0.006
1
0.095
2
2
353.15
5
1
0.989
3
1
0.011
1
0.116
3
2
313.15
5
1
0.997
3
1
0.003
1
0.127
3
2
353.15
5
1
0.983
3
1
0.017
1
0.141
3
2
313.15
5
1
0.996
3
1
0.004
1
0.141
3
2
333.15
5
1
0.993
3
1
0.007
3
1
1
2
1
Principal objective of the work
KRP
TRC
7/21/2009
1
Vapor or sublimation pressure, kPa
Closed cell (Static) method
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Gas
Liquid
1
Mole fraction
2
Liquid
2
Temperature, K
Liquid
1
0.107
3
2
353.15
5
1
1170
3
1
160
1
0.134
3
2
333.15
5
1
1280
3
1
160
1
0.147
3
2
313.15
5
1
1350
3
1
120
1
0.201
3
2
353.15
5
1
2550
3
1
280
1
0.307
3
2
333.15
5
1
3370
3
1
360
1
0.32
3
2
353.15
5
1
4130
3
1
460
1
0.408
3
2
313.15
5
1
3480
3
1
340
1
0.446
3
2
333.15
5
1
4940
3
1
490
1
0.452
3
2
353.15
5
1
6170
3
1
740
1
0.544
3
2
313.15
5
1
4650
3
1
460
1
0.551
3
2
353.15
5
1
7910
3
1
970
1
0.576
3
2
333.15
5
1
6310
3
1
730
1
0.694
3
2
333.15
5
1
8090
3
1
1050
1
0.717
3
2
313.15
5
1
6060
3
1
550
1
0.858
3
2
313.15
5
1
7010
3
1
590
4
1
1
2
1
Principal objective of the work
KRP
TRC
7/21/2009
1
Mole fraction
Chromatography
2
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Gas
Liquid
1
Mole fraction
2
Liquid
2
Temperature, K
Liquid
1
0.107
3
2
353.15
5
1
0.985
3
1
0.015
1
0.134
3
2
333.15
5
1
0.985
3
1
0.015
1
0.147
3
2
313.15
5
1
0.993
3
1
0.007
1
0.201
3
2
353.15
5
1
0.98
3
1
0.02
1
0.307
3
2
333.15
5
1
0.991
3
1
0.009
1
0.32
3
2
353.15
5
1
0.98
3
1
0.02
1
0.408
3
2
313.15
5
1
0.995
3
1
0.005
1
0.446
3
2
333.15
5
1
0.991
3
1
0.009
1
0.452
3
2
353.15
5
1
0.98
3
1
0.02
1
0.544
3
2
313.15
5
1
0.996
3
1
0.004
1
0.551
3
2
353.15
5
1
0.994
3
1
0.006
1
0.576
3
2
333.15
5
1
0.99
3
1
0.01
1
0.694
3
2
333.15
5
1
0.994
3
1
0.006
1
0.717
3
2
313.15
5
1
0.994
3
1
0.006
1
0.858
3
2
313.15
5
1
0.995
3
1
0.005
5
5
1
3
1
Principal objective of the work
KRP
TRC
7/21/2009
1
Vapor or sublimation pressure, kPa
Closed cell (Static) method
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Gas
Liquid
1
Mole fraction
3
Liquid
2
Temperature, K
Liquid
1
0.012
2
2
313.15
5
1
990
2
1
110
1
0.014
2
2
333.15
5
1
1030
3
1
140
1
0.029
2
2
333.15
5
1
2480
3
1
270
1
0.03
2
2
313.15
5
1
2630
3
1
260
1
0.044
2
2
333.15
5
1
3830
3
1
410
1
0.049
2
2
313.15
5
1
4130
3
1
420
1
0.059
2
2
333.15
5
1
5250
3
1
580
1
0.063
2
2
313.15
5
1
5430
3
1
600
1
0.076
2
2
333.15
5
1
6970
3
1
770
1
0.083
2
2
313.15
5
1
7370
3
1
810
6
5
1
3
1
Principal objective of the work
KRP
TRC
7/21/2009
1
Mole fraction
Chromatography
3
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Gas
Liquid
1
Mole fraction
3
Liquid
2
Temperature, K
Liquid
1
0.012
2
2
313.15
5
1
0.998
3
1
0.002
1
0.014
2
2
333.15
5
1
0.996
3
1
0.004
1
0.029
2
2
333.15
5
1
0.997
3
1
0.003
1
0.03
2
2
313.15
5
1
0.996
3
1
0.004
1
0.044
2
2
333.15
5
1
0.996
3
1
0.004
1
0.049
2
2
313.15
5
1
0.997
3
1
0.003
1
0.059
2
2
333.15
5
1
0.996
3
1
0.004
1
0.063
2
2
313.15
5
1
0.996
3
1
0.004
1
0.076
2
2
333.15
5
1
0.995
3
1
0.005
1
0.083
2
2
313.15
5
1
0.996
3
1
0.004
7
5
1
2
1
Principal objective of the work
KRP
TRC
7/21/2009
1
Vapor or sublimation pressure, kPa
Closed cell (Static) method
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Gas
Liquid
1
Mole fraction
2
Liquid
2
Temperature, K
Liquid
1
0.161
3
2
333.15
5
1
1200
2
1
190
1
0.163
3
2
313.15
5
1
950
2
1
150
1
0.226
3
2
333.15
5
1
1950
3
1
270
1
0.337
3
2
333.15
5
1
3250
3
1
420
1
0.354
3
2
313.15
5
1
2620
3
1
310
1
0.475
3
2
333.15
5
1
5000
1
1
650
1
0.535
3
2
313.15
5
1
4210
3
1
510
1
0.598
3
2
333.15
5
1
6770
3
1
790
1
0.735
3
2
313.15
5
1
6220
3
1
730
1
0.743
3
2
333.15
5
1
8540
3
1
910
1
0.92
3
2
313.15
5
1
7980
3
1
770
8
5
1
2
1
Principal objective of the work
KRP
TRC
7/21/2009
1
Mole fraction
Chromatography
2
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Gas
Liquid
1
Mole fraction
2
Liquid
2
Temperature, K
Liquid
1
0.161
3
2
333.15
5
1
0.995
3
1
0.005
1
0.163
3
2
313.15
5
1
0.995
3
1
0.005
1
0.226
3
2
333.15
5
1
0.994
3
1
0.006
1
0.337
3
2
333.15
5
1
0.994
3
1
0.006
1
0.354
3
2
313.15
5
1
0.997
3
1
0.003
1
0.475
3
2
333.15
5
1
0.996
3
1
0.004
1
0.535
3
2
313.15
5
1
0.996
3
1
0.004
1
0.598
3
2
333.15
5
1
0.995
3
1
0.005
1
0.735
3
2
313.15
5
1
0.994
3
1
0.006
1
0.743
3
2
333.15
5
1
0.995
3
1
0.005
1
0.92
3
2
313.15
5
1
0.995
3
1
0.005
9
1
1
4
1
Principal objective of the work
KRP
TRC
7/21/2009
1
Vapor or sublimation pressure, kPa
Closed cell (Static) method
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Gas
Liquid
1
Mole fraction
4
Liquid
2
Temperature, K
Liquid
1
0.008
1
2
313.15
5
1
930
2
1
100
1
0.008
1
2
333.15
5
1
940
2
1
100
1
0.019
2
2
313.15
5
1
2270
3
1
220
1
0.024
2
2
333.15
5
1
2810
3
1
280
1
0.031
2
2
313.15
5
1
3630
3
1
400
1
0.038
2
2
333.15
5
1
4480
3
1
450
1
0.043
2
2
313.15
5
1
5350
3
1
550
1
0.05
2
2
333.15
5
1
5860
3
1
600
1
0.059
2
2
333.15
5
1
7000
1
1
750
1
0.06
2
2
313.15
5
1
7360
3
1
710
10
1
1
4
1
Principal objective of the work
KRP
TRC
7/21/2009
1
Mole fraction
Chromatography
4
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Gas
Liquid
1
Mole fraction
4
Liquid
2
Temperature, K
Liquid
1
0.008
1
2
313.15
5
1
0.995
3
1
0.005
1
0.008
1
2
333.15
5
1
0.989
3
1
0.011
1
0.019
2
2
313.15
5
1
0.995
3
1
0.005
1
0.024
2
2
333.15
5
1
0.993
3
1
0.007
1
0.031
2
2
313.15
5
1
0.996
3
1
0.004
1
0.038
2
2
333.15
5
1
0.994
3
1
0.006
1
0.043
2
2
313.15
5
1
0.995
3
1
0.005
1
0.05
2
2
333.15
5
1
0.993
3
1
0.007
1
0.059
2
2
333.15
5
1
0.993
3
1
0.007
1
0.06
2
2
313.15
5
1
0.995
3
1
0.005
11
5
1
4
1
Principal objective of the work
KRP
TRC
7/21/2009
1
Vapor or sublimation pressure, kPa
Closed cell (Static) method
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Gas
Liquid
1
Mole fraction
4
Liquid
2
Temperature, K
Liquid
1
0.006
1
2
313.15
5
1
1010
3
1
90
1
0.006
1
2
333.15
5
1
940
2
1
90
1
0.015
2
2
333.15
5
1
2180
3
1
220
1
0.018
2
2
313.15
5
1
2690
3
1
260
1
0.023
2
2
333.15
5
1
3370
3
1
350
1
0.027
2
2
313.15
5
1
4060
3
1
420
1
0.034
2
2
333.15
5
1
5070
3
1
520
1
0.037
2
2
313.15
5
1
5630
3
1
540
1
0.046
2
2
333.15
5
1
6910
3
1
710
1
0.052
2
2
313.15
5
1
7710
3
1
720
12
5
1
4
1
Principal objective of the work
KRP
TRC
7/21/2009
1
Mole fraction
Chromatography
4
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Gas
Liquid
1
Mole fraction
4
Liquid
2
Temperature, K
Liquid
1
0.006
1
2
313.15
5
1
0.999
3
1
0.001
1
0.006
1
2
333.15
5
1
0.993
3
1
0.007
1
0.015
2
2
333.15
5
1
0.993
3
1
0.007
1
0.018
2
2
313.15
5
1
0.997
3
1
0.003
1
0.023
2
2
333.15
5
1
0.994
3
1
0.006
1
0.027
2
2
313.15
5
1
0.998
3
1
0.002
1
0.034
2
2
333.15
5
1
0.993
3
1
0.007
1
0.037
2
2
313.15
5
1
0.995
3
1
0.005
1
0.046
2
2
333.15
5
1
0.992
3
1
0.008
1
0.052
2
2
313.15
5
1
0.995
3
1
0.005
13
1
1
2
1
3
1
Principal objective of the work
RDC
TRC
7/21/2009
1
Mole fraction
Chromatography
3
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
2
Mole fraction
Chromatography
3
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
3
Mole fraction
Chromatography
2
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Pressure, kPa
Liquid
8000
1
1
Temperature, K
Liquid
2
Mole fraction
2
Liquid
1
313.15
5
2
0.571
3
1
0.042
2
1
0.004
2
0.273
3
1
0.027
3
0.723
3
1
313.15
5
2
0.485
3
1
0.056
2
1
0.006
2
0.382
3
1
0.038
3
0.614
3
1
313.15
5
2
0.399
3
1
0.068
2
1
0.007
2
0.491
3
1
0.049
3
0.505
3
1
313.15
5
2
0.347
3
1
0.074
2
1
0.007
2
0.556
3
1
0.056
3
0.44
3
1
333.15
5
2
0.458
3
1
0.036
2
1
0.004
2
0.261
3
1
0.026
3
0.732
3
1
333.15
5
2
0.403
3
1
0.047
2
1
0.005
2
0.348
3
1
0.035
3
0.645
3
1
333.15
5
2
0.328
3
1
0.062
2
1
0.006
2
0.469
3
1
0.047
3
0.524
3
1
333.15
5
2
0.262
3
1
0.074
2
1
0.007
2
0.573
3
1
0.057
3
0.42
3
1
353.15
5
2
0.396
3
1
0.038
2
1
0.004
2
0.267
3
1
0.027
3
0.721
3
1
353.15
5
2
0.345
3
1
0.05
2
1
0.005
2
0.36
3
1
0.036
3
0.628
3
1
353.15
5
2
0.295
3
1
0.06
2
1
0.006
2
0.451
3
1
0.045
3
0.537
3
1
353.15
5
2
0.239
3
1
0.073
2
1
0.007
2
0.554
3
1
0.056
3
0.434
3
14
5
1
2
1
3
1
Principal objective of the work
RDC
TRC
7/21/2009
1
Mole fraction
Chromatography
3
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
2
Mole fraction
Chromatography
3
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
3
Mole fraction
Chromatography
2
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Pressure, kPa
Liquid
8000
1
1
Temperature, K
Liquid
2
Mole fraction
2
Liquid
1
313.15
5
2
0.374
3
1
0.054
2
1
0.005
2
0.529
3
1
0.053
3
0.464
3
1
313.15
5
2
0.613
3
1
0.037
2
1
0.004
2
0.319
3
1
0.032
3
0.675
3
1
313.15
5
2
0.684
3
1
0.027
2
1
0.003
2
0.206
3
1
0.021
3
0.791
3
1
313.15
5
2
0.762
3
1
0.021
2
1
0.002
2
0.135
3
1
0.014
3
0.861
3
1
313.15
5
2
0.517
3
1
0.043
2
1
0.004
2
0.396
3
1
0.04
3
0.589
3
1
333.15
5
2
0.251
3
1
0.062
2
1
0.006
2
0.615
3
1
0.062
3
0.379
3
1
333.15
5
2
0.379
3
1
0.053
2
1
0.005
2
0.512
3
1
0.051
3
0.481
3
1
333.15
5
2
0.44
3
1
0.042
2
1
0.004
2
0.384
3
1
0.039
3
0.61
3
1
333.15
5
2
0.536
3
1
0.033
2
1
0.003
2
0.281
3
1
0.028
3
0.713
3
1
333.15
5
2
0.609
3
1
0.022
2
1
0.002
2
0.162
3
1
0.016
3
0.83
3
15
1
1
2
1
4
1
Principal objective of the work
RDC
TRC
7/21/2009
1
Mole fraction
Chromatography
4
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
2
Mole fraction
Chromatography
4
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
3
Mole fraction
Chromatography
2
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Pressure, kPa
Liquid
8000
1
1
Temperature, K
Liquid
2
Mole fraction
2
Liquid
1
313.15
5
2
0.209
3
1
0.051
2
1
0.005
2
0.762
3
1
0.076
3
0.231
3
1
313.15
5
2
0.373
3
1
0.04
2
1
0.004
2
0.557
3
1
0.056
3
0.437
3
1
313.15
5
2
0.519
3
1
0.03
2
1
0.003
2
0.374
3
1
0.038
3
0.621
3
1
313.15
5
2
0.607
3
1
0.023
2
1
0.002
2
0.253
3
1
0.025
3
0.743
3
1
313.15
5
2
0.728
3
1
0.017
2
1
0.002
2
0.157
3
1
0.016
3
0.838
3
1
333.15
5
2
0.363
3
1
0.035
2
1
0.004
2
0.463
3
1
0.046
3
0.531
3
1
333.15
5
2
0.424
3
1
0.03
2
1
0.003
2
0.365
3
1
0.037
3
0.629
3
1
333.15
5
2
0.497
3
1
0.022
2
1
0.002
2
0.241
3
1
0.024
3
0.754
3
1
333.15
5
2
0.553
3
1
0.018
2
1
0.002
2
0.184
3
1
0.018
3
0.812
3
1
333.15
5
2
0.202
3
1
0.049
2
1
0.005
2
0.71
3
1
0.071
3
0.281
3
16
5
1
2
1
4
1
Principal objective of the work
RDC
TRC
7/21/2009
1
Mole fraction
Chromatography
4
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
2
Mole fraction
Chromatography
4
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
3
Mole fraction
Chromatography
2
Gas
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Pressure, kPa
Liquid
8000
1
1
Temperature, K
Liquid
2
Mole fraction
2
Liquid
1
313.15
5
2
0.163
3
1
0.046
2
1
0.005
2
0.837
3
1
0.084
3
0.153
3
1
313.15
5
2
0.419
3
1
0.035
2
1
0.004
2
0.562
3
1
0.056
3
0.431
3
1
313.15
5
2
0.51
3
1
0.029
2
1
0.003
2
0.438
3
1
0.044
3
0.556
3
1
313.15
5
2
0.592
3
1
0.024
2
1
0.002
2
0.312
3
1
0.031
3
0.682
3
1
313.15
5
2
0.715
3
1
0.018
2
1
0.002
2
0.183
3
1
0.018
3
0.811
3
1
333.15
5
2
0.19
3
1
0.044
2
1
0.004
2
0.775
3
1
0.078
3
0.22
3
1
333.15
5
2
0.297
3
1
0.037
2
1
0.004
2
0.615
3
1
0.062
3
0.379
3
1
333.15
5
2
0.439
3
1
0.028
2
1
0.003
2
0.442
3
1
0.044
3
0.551
3
1
333.15
5
2
0.553
3
1
0.02
2
1
0.002
2
0.262
3
1
0.026
3
0.732
3
1
333.15
5
2
0.617
3
1
0.013
2
1
0.001
2
0.13
3
1
0.013
3
0.863
3