2
0
2011
kum
moh
0
journal
Original
Kumar, U. K. A.
Mohan, R.[Ratan]
J. Chem. Eng. Data
2011
2020-09-29
Liquid-Liquid Equilibria Measurement of Systems Involving Alkanes (Heptane and Dodecane), Aromatics (Benzene or Toluene), and Furfural
Liquid-liquid equilibria (LLE) of alkane + aromatic + solvent systems is of interest in connection with the extraction of aromatics from petroleum fractions, for example, naphtha, distillates, lube oil, and so forth. Though the actual industrial systems contain a large number of compounds, LLE studies on a smaller number of representative compounds are also important in the development of theoretical/semiempirical LLE models for use in the design of extraction processes. In the present work LLE data has been experimentally obtained for the ternary systems heptane + benzene + furan-2-carbaldehyde (furfural) and heptane + methylbenzene (toluene) + furfural at two temperatures (298.15 and 303.15) K, and for the quaternary systems heptane + dodecane + benzene or toluene + furfural at 298.15 K. The data are seen to be correlated excellently by the nonrandom two-liquid model. The model parameters were determined by data regression using the Nelder-Mead optimization technique. The model also enabled tie line calculations between the last experimental tie line and the plait point, thereby giving the shape of the full two-phase region.
10.1021/je100908f
3
56
485-490
1
InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
IMNFDUFMRHMDMM-UHFFFAOYSA-N
heptane
n-heptane
C7H16
1
Commercial source
1
99
2
Gas chromatography
2
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
UHOVQNZJYSORNB-UHFFFAOYSA-N
benzene
C6H6
1
Commercial source
1
99
2
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
2
Gas chromatography
4
InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
HYBBIBNJHNGZAN-UHFFFAOYSA-N
2-furaldehyde
.alpha.-furole
2-formylfuran
2-furanaldehyde
2-furancarbaldehyde
2-furancarboxaldehyde
2-furfural
2-furfuraldehyde
2-furylcarboxaldehyde
furaldehyde
furan-2-aldehyde
furan-2-carbaldehyde
furan-2-carboxaldehyde
furfural
furfuraldehyde
furfurylaldehyde
C5H4O2
1
Commercial source
1
99
2
Gas chromatography
1
2
1
4
1
1
1
Principal objective of the work
RDC
XXX
5/12/2011
1
Mole fraction
Chromatography
2
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
2
Mole fraction
Chromatography
1
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
3
Mole fraction
Chromatography
2
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 2
101.3
2
1
Temperature, K
Liquid mixture 2
2
Mole fraction
1
Liquid mixture 1
1
298.15
5
2
0.9069
4
1
0.0291
3
1
0.0132
2
0.0544
3
1
0.0103
3
0.0242
3
1
298.15
5
2
0.8509
4
1
0.0759
3
1
0.0132
2
0.0639
3
1
0.0102
3
0.063
2
1
298.15
5
2
0.7984
4
1
0.1197
4
1
0.0132
2
0.0715
3
1
0.0101
3
0.103
3
1
298.15
5
2
0.7496
4
1
0.1618
4
1
0.0133
2
0.0754
3
1
0.0104
3
0.1382
4
1
298.15
5
2
0.7081
4
1
0.1961
4
1
0.0122
2
0.0939
3
1
0.0113
3
0.1868
4
1
298.15
5
2
0.6031
4
1
0.2626
4
1
0.012
2
0.1307
4
1
0.0119
3
0.244
3
1
303.15
5
2
0.8418
4
1
0.0377
3
1
0.0136
2
0.0569
3
1
0.0101
3
0.0251
3
1
303.15
5
2
0.7897
4
1
0.085
3
1
0.0133
2
0.0618
3
1
0.0102
3
0.0631
3
1
303.15
5
2
0.744
4
1
0.1215
4
1
0.0133
2
0.0715
3
1
0.0103
3
0.1035
4
1
303.15
5
2
0.6987
4
1
0.1632
4
1
0.013
2
0.0799
3
1
0.0102
3
0.138
4
1
303.15
5
2
0.6308
4
1
0.2136
4
1
0.0121
2
0.0897
3
1
0.0107
3
0.1892
4
1
303.15
5
2
0.5306
4
1
0.2728
4
1
0.0118
2
0.1232
4
1
0.0113
3
0.2536
4
2
4
1
3
1
1
1
Principal objective of the work
RDC
XXX
5/12/2011
1
Mole fraction
Chromatography
1
Liquid mixture 1
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
2
Mole fraction
Chromatography
1
Liquid mixture 2
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
3
Mole fraction
Chromatography
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 2
101.3
2
1
Temperature, K
Liquid mixture 2
2
Mole fraction
3
Liquid mixture 1
1
298.15
5
2
0.0426
3
1
0.8474
4
1
0.0142
2
0.0543
3
1
0.0102
3
0.0192
3
1
298.15
5
2
0.1118
4
1
0.7787
4
1
0.0142
2
0.0612
3
1
0.0102
3
0.052
3
1
298.15
5
2
0.1666
4
1
0.7244
4
1
0.0152
2
0.065
3
1
0.0104
3
0.0771
3
1
298.15
5
2
0.2247
4
1
0.6522
4
1
0.0167
2
0.0824
3
1
0.0105
3
0.1326
4
1
298.15
5
2
0.2712
4
1
0.5872
4
1
0.0177
2
0.0994
3
1
0.0104
3
0.189
4
1
298.15
5
2
0.299
4
1
0.5455
4
1
0.0183
2
0.1058
4
1
0.0102
3
0.2244
4
1
303.15
5
2
0.0598
3
1
0.7945
4
1
0.0138
2
0.0535
3
1
0.0103
3
0.0183
3
1
303.15
5
2
0.1356
4
1
0.7236
4
1
0.0146
2
0.0596
3
1
0.0103
3
0.0455
3
1
303.15
5
2
0.1963
4
1
0.652
4
1
0.015
2
0.0661
3
1
0.0106
3
0.0752
3
1
303.15
5
2
0.2756
4
1
0.5719
4
1
0.0165
2
0.0929
3
1
0.0108
3
0.147
4
1
303.15
5
2
0.3249
4
1
0.4848
4
1
0.0206
2
0.1231
4
1
0.011
3
0.2169
4