2
0
2009
hwa
par
0
journal
Original
Hwang, I.-C.[In-Chan]
Park, S.-J.[So-Jin]
Seo, D.-W.[Dong-Won]
Han, K. J.[Kyu-Jin]
J. Chem. Eng. Data
2009
2020-09-29
Binary Liquid-Liquid Equilibrium (LLE) for N-Methylformamide (NMF) + Hexadecane between (288.15 and 318.15) K and Ternary LLE for Systems of NMF + Heterocyclic Nitrogen Compounds + Hexadecane at 298.15 K
The binary liquid-liquid equilibrium (LLE) data for the system N-methylformamide (NMF) + n-hexadecane from (288.15 to 318.15) K and the ternary LLE for the systems NMF + heterocyclic nitrogen compounds (quinoline, pyridine, pyrrole, aniline, indole) + n-hexadecane at 298.15 K were analytically determined at atmospheric pressure by the use of stirred and thermoregulated cells. Experimental data were correlated with the NRTL and UNIQUAC activity coefficient models. The reliability of the measured LLE data were tested using the Bachman-Brown, Hand, and Othmer-Tobias equations. In addition, the extraction capability of NMF for heterocyclic nitrogen compounds was investigated with respect to distribution and selectivity.
10.1021/je8006265
1
54
78-82
1
InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)
ATHHXGZTWNVVOU-UHFFFAOYSA-N
N-methylformamide
N-methylformamide [NMF]
N-methylmethanamide
methylformamide
C2H5NO
1
Commercial source
1
Molecular sieve treatment
2
99.7
3
Gas chromatography
2
InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
DCAYPVUWAIABOU-UHFFFAOYSA-N
hexadecane
cetane
n-hexadecane
C16H34
1
Commercial source
1
Molecular sieve treatment
2
99.8
3
Gas chromatography
3
InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
SMWDFEZZVXVKRB-UHFFFAOYSA-N
quinoline
1-azanaphthalene
benzo[b]pyridine
C9H7N
1
Commercial source
1
Molecular sieve treatment
2
99.6
3
Gas chromatography
4
InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H
JUJWROOIHBZHMG-UHFFFAOYSA-N
pyridine
azine
C5H5N
1
Commercial source
1
Molecular sieve treatment
2
99.5
3
Gas chromatography
5
InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
SIKJAQJRHWYJAI-UHFFFAOYSA-N
1H-indole
1-azaindene
1-benzazole
1-benzo[b]pyrrole
2,3-benzopyrrole
indole
C8H7N
1
Commercial source
1
Molecular sieve treatment
2
99
2
Gas chromatography
6
InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H
KAESVJOAVNADME-UHFFFAOYSA-N
pyrrole
1H-pyrrole
C4H5N
1
Commercial source
1
Molecular sieve treatment
2
97
2
Gas chromatography
7
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
PAYRUJLWNCNPSJ-UHFFFAOYSA-N
aniline
aminobenzene
benzeneamine
phenylamine
C6H7N
1
Commercial source
1
Molecular sieve treatment
2
99.6
3
Gas chromatography
1
1
1
Principal objective of the work
WZ
TRC
2/24/2009
1
Mass density, kg/m3
VIBTUB:UFactor:4
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Temperature, K
Liquid
2
Pressure, kPa
Liquid
1
298.15
5
2
101.325
6
1
785.32
5
1
200
2
2
1
Principal objective of the work
WZ
TRC
2/24/2009
1
Mass density, kg/m3
VIBTUB:UFactor:2
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Temperature, K
Liquid
2
Pressure, kPa
Liquid
1
298.15
5
2
101.325
6
1
773.19
5
1
0.32
3
3
1
Principal objective of the work
WZ
TRC
2/24/2009
1
Mass density, kg/m3
VIBTUB:UFactor:3
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Temperature, K
Liquid
2
Pressure, kPa
Liquid
1
298.15
5
2
101.325
6
1
1089.45
6
1
0.31
4
4
1
Principal objective of the work
WZ
TRC
2/24/2009
1
Mass density, kg/m3
VIBTUB:UFactor:4
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Temperature, K
Liquid
2
Pressure, kPa
Liquid
1
298.15
5
2
101.325
6
1
978.25
5
1
0.27
5
5
1
Principal objective of the work
WZ
TRC
2/24/2009
1
Mass density, kg/m3
PYCNOM:UFactor:6
Crystal
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Crystal
1
Temperature, K
Crystal
2
Pressure, kPa
Crystal
1
298.15
5
2
101.325
6
1
1216.68
6
1
1.88
6
6
1
Principal objective of the work
WZ
TRC
2/24/2009
1
Mass density, kg/m3
VIBTUB:UFactor:12
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Temperature, K
Liquid
2
Pressure, kPa
Liquid
1
298.15
5
2
101.325
6
1
965.9
4
1
2.92
7
7
1
Principal objective of the work
WZ
TRC
2/24/2009
1
Mass density, kg/m3
VIBTUB:UFactor:3
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Temperature, K
Liquid
2
Pressure, kPa
Liquid
1
298.15
5
2
101.325
6
1
1017.42
6
1
0.2
8
1
1
2
1
Principal objective of the work
WZ
TRC
2/24/2009
1
Mole fraction
Chromatography
1
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 1
101
3
1
Temperature, K
Liquid mixture 1
1
293.15
5
1
0.9993
4
1
0.0002
1
298.15
5
1
0.999
4
1
0.0002
1
303.15
5
1
0.9984
4
1
0.0002
1
308.15
5
1
0.9985
4
1
0.0002
1
313.15
5
1
0.9988
4
1
0.0002
1
318.15
5
1
0.9987
4
1
0.0002
9
1
1
2
1
Principal objective of the work
WZ
TRC
2/24/2009
1
Mole fraction
Chromatography
1
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 1
101
3
1
Temperature, K
Liquid mixture 1
1
293.15
5
1
0.0009
1
1
0.0002
1
298.15
5
1
0.0011
2
1
0.0002
1
303.15
5
1
0.0021
2
1
0.0002
1
308.15
5
1
0.0026
2
1
0.0002
1
313.15
5
1
0.0027
2
1
0.0002
1
318.15
5
1
0.0029
2
1
0.0002
10
5
1
1
1
2
1
Principal objective of the work
RDC
TRC
2/24/2009
1
Mole fraction
CHROM:UFactor:4
5
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
2
Mole fraction
CHROM:UFactor:4
1
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
3
Mole fraction
CHROM:UFactor:4
5
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid mixture 1
Liquid mixture 2
1
Temperature, K
Liquid mixture 1
298.15
5
2
Pressure, kPa
Liquid mixture 1
101
3
1
Mole fraction
1
Liquid mixture 1
1
0.9288
4
1
0.0695
3
1
0.0022
2
0
2
1
0.0001
3
0
2
1
0.8588
4
1
0.1384
4
1
0.0043
2
0
2
1
0.0001
3
0.0001
1
1
0.7982
4
1
0.1992
4
1
0.0062
2
0
2
1
0.0001
3
0.0002
1
1
0.7328
4
1
0.2637
4
1
0.0082
2
0
2
1
0.0001
3
0.0003
1
1
0.6725
4
1
0.3223
4
1
0.01
2
0
2
1
0.0001
3
0.0122
3
1
0.6068
4
1
0.3876
4
1
0.012
2
0
2
1
0.0001
3
0.015
3
1
0.5366
4
1
0.4567
4
1
0.0142
2
0
2
1
0.0001
3
0.0276
3
1
0.4715
4
1
0.5209
4
1
0.0148
2
0
2
1
0.0001
3
0.0339
3
1
0.4089
4
1
0.5817
4
1
0.013
2
0
2
1
0.0001
3
0.0386
3
1
0.3498
4
1
0.6403
4
1
0.0111
2
0
2
1
0.0001
3
0.0452
3
1
0.3029
4
1
0.6845
4
1
0.0098
2
0
2
1
0.0001
3
0.0497
3
1
0.2783
4
1
0.7103
4
1
0.009
2
0
2
1
0.0001
3
0.0523
3
11
3
1
1
1
2
1
Principal objective of the work
RDC
TRC
2/24/2009
1
Mole fraction
CHROM:UFactor:4
1
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
2
Mole fraction
CHROM:UFactor:4
1
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
3
Mole fraction
CHROM:UFactor:4
3
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid mixture 1
Liquid mixture 2
1
Pressure, kPa
Liquid mixture 1
101
3
2
Temperature, K
Liquid mixture 1
298.15
5
1
Mole fraction
3
Liquid mixture 1
1
0.0439
3
1
0.9523
4
1
0.0015
2
0
2
1
0.0001
3
0.0283
3
1
0.0674
3
1
0.9283
4
1
0.0022
2
0
2
1
0.0001
3
0.0444
3
1
0.0946
3
1
0.8947
4
1
0.0033
2
0
2
1
0.0001
3
0.0548
3
1
0.1509
4
1
0.8421
4
1
0.0049
2
0
2
1
0.0001
3
0.0773
3
1
0.2071
4
1
0.7836
4
1
0.0067
2
0
2
1
0.0001
3
0.1064
4
1
0.2938
4
1
0.698
4
1
0.0094
2
0
2
1
0.0001
3
0.1229
4
1
0.3347
4
1
0.6529
4
1
0.0108
2
0
2
1
0.0001
3
0.1422
4
1
0.3896
4
1
0.5941
4
1
0.0126
2
0
2
1
0.0001
3
0.1629
4
1
0.4449
4
1
0.5371
4
1
0.0143
2
0
2
1
0.0001
3
0.1837
4
1
0.4942
4
1
0.4829
4
1
0.015
2
0
2
1
0.0001
3
0.2244
4
1
0.5456
4
1
0.4235
4
1
0.0131
2
0
2
1
0.0001
3
0.2345
4
1
0.6974
4
1
0.2536
4
1
0.0079
2
0
2
1
0.0001
3
0.2942
4
1
0.8329
4
1
0.0882
3
1
0.0029
2
0
2
1
0.0001
3
0.3816
4
1
0.8279
4
1
0.0648
3
1
0.0021
2
0
2
1
0.0001
3
0.4154
4
1
0.8169
4
1
0.0358
3
1
0.0012
2
0
2
1
0.0001
3
0.4675
4
1
0.7984
4
1
0.0141
3
1
0.0005
2
0
2
1
0.0001
3
0.5564
4
12
4
1
1
1
2
1
Principal objective of the work
RDC
TRC
2/24/2009
1
Mole fraction
CHROM:UFactor:4
4
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
2
Mole fraction
CHROM:UFactor:4
1
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
3
Mole fraction
CHROM:UFactor:4
4
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid mixture 1
Liquid mixture 2
1
Pressure, kPa
Liquid mixture 1
101
3
2
Temperature, K
Liquid mixture 1
298.15
5
1
Mole fraction
1
Liquid mixture 1
1
0.9664
4
1
0.0258
3
1
0.0008
2
0
2
1
0.0001
3
0.0188
3
1
0.8649
4
1
0.1201
4
1
0.0037
2
0
2
1
0.0001
3
0.0571
3
1
0.8474
4
1
0.1444
4
1
0.0045
2
0
2
1
0.0001
3
0.0831
3
1
0.8088
4
1
0.1825
4
1
0.0057
2
0
2
1
0.0001
3
0.1005
4
1
0.7696
4
1
0.2213
4
1
0.0069
2
0
2
1
0.0001
3
0.1194
4
1
0.7014
4
1
0.2862
4
1
0.0089
2
0
2
1
0.0001
3
0.1567
4
1
0.6195
4
1
0.3657
4
1
0.0113
2
0
2
1
0.0001
3
0.2199
4
1
0.5524
4
1
0.4303
4
1
0.0133
2
0
2
1
0.0001
3
0.2397
4
1
0.4895
4
1
0.4999
4
1
0.0155
2
0
2
1
0.0001
3
0.289
4
1
0.431
4
1
0.5555
4
1
0.0138
2
0
2
1
0.0001
3
0.3172
4
1
0.348
4
1
0.6298
4
1
0.0115
2
0
2
1
0.0001
3
0.377
4
1
0.2886
4
1
0.684
4
1
0.0098
2
0
2
1
0.0001
3
0.4275
4
1
0.2323
4
1
0.7388
4
1
0.0081
2
0
2
1
0.0001
3
0.468
4
1
0.1814
4
1
0.7882
4
1
0.0066
2
0
2
1
0.0001
3
0.5163
4
1
0.1436
4
1
0.8186
4
1
0.0056
2
0
2
1
0.0001
3
0.5413
4
1
0.0506
3
1
0.8655
4
1
0.0042
2
0
2
1
0.0001
3
0.6881
4
13
6
1
1
1
2
1
Principal objective of the work
RDC
TRC
2/24/2009
1
Mole fraction
CHROM:UFactor:4
6
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
2
Mole fraction
CHROM:UFactor:4
1
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
3
Mole fraction
CHROM:UFactor:4
6
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid mixture 1
Liquid mixture 2
1
Pressure, kPa
Liquid mixture 1
101
3
2
Temperature, K
Liquid mixture 1
298.15
5
1
Mole fraction
1
Liquid mixture 1
1
0.9185
4
1
0.0759
3
1
0.0024
2
0
2
1
0.0001
3
0
2
1
0.8412
4
1
0.1464
4
1
0.0045
2
0
2
1
0.0001
3
0.0104
3
1
0.778
4
1
0.2157
4
1
0.0067
2
0
2
1
0.0001
3
0.0146
3
1
0.6466
4
1
0.3453
4
1
0.0107
2
0
2
1
0.0001
3
0.0195
3
1
0.5853
4
1
0.4082
4
1
0.0126
2
0
2
1
0.0001
3
0.0333
3
1
0.4875
4
1
0.5033
4
1
0.0154
2
0
2
1
0.0001
3
0.0389
3
1
0.4043
4
1
0.5912
4
1
0.0127
2
0
2
1
0.0001
3
0.0683
3
1
0.3275
4
1
0.6654
4
1
0.0104
2
0
2
1
0.0001
3
0.0654
3
1
0.2563
4
1
0.7359
4
1
0.0082
2
0
2
1
0.0001
3
0.0761
3
1
0.1832
4
1
0.8105
4
1
0.0059
2
0
2
1
0.0001
3
0.1179
4
1
0.1594
4
1
0.8319
4
1
0.0052
2
0
2
1
0.0001
3
0.1206
4
1
0.1145
4
1
0.8729
4
1
0.0039
2
0
2
1
0.0001
3
0.1369
4
1
0.0738
3
1
0.9125
4
1
0.0027
2
0
2
1
0.0001
3
0.1484
4
1
0
2
1
0.9807
4
1
0.0006
2
0
2
1
0.0001
3
0.1722
4
1
0.0001
1
1
0.9874
4
1
0.0004
2
0
2
1
0.0001
3
0.1735
4
14
7
1
1
1
2
1
Principal objective of the work
RDC
TRC
2/24/2009
1
Mole fraction
CHROM:UFactor:4
7
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
2
Mole fraction
CHROM:UFactor:4
1
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
3
Mole fraction
CHROM:UFactor:4
7
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid mixture 1
Liquid mixture 2
1
Pressure, kPa
Liquid mixture 1
101
3
2
Temperature, K
Liquid mixture 1
298.15
5
1
Mole fraction
1
Liquid mixture 1
1
0.9635
4
1
0.0356
3
1
0.0011
2
0
2
1
0.0001
3
0
2
1
0.9295
4
1
0.0694
3
1
0.0022
2
0
2
1
0.0001
3
0.0001
1
1
0.8782
4
1
0.1199
4
1
0.0037
2
0
2
1
0.0001
3
0.0002
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1
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1
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1
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1
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3
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1
0.7888
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1
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1
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1
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1
0.7398
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1
0.2586
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1
0.008
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0
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1
0.0001
3
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1
0.6915
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1
0.3069
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1
0.0095
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0
2
1
0.0001
3
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1
0.6315
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1
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1
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0
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1
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1
0.604
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1
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1
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0
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1
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1
0.55
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1
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1
0.0138
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0
2
1
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1
0.5086
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1
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1
0.015
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0
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1
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1
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1
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1
0.0142
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0
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1
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1
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1
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1
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1
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1
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1
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0.3422
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1
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0
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1
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0.2869
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1
0.7106
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1
0.009
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0
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1
0.0001
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1
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1
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1
0.0075
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1
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1
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1
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1
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0.0719
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1
0.9206
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1
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1
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1
0
2
1
0.9948
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1
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0
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1
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