2
0
2012
ben
lef
0
journal
Original
Benbouzid, H.[Hosna]
Le Floch, S.[Stephane]
Stephan, L.[Ludovic]
Olier, R.[Rene]
Privat, M.[Mireille]
J. Chem. Thermodyn.
2012
2020-09-29
Combined effects of salinity and temperature on the solubility of organic compounds
This study deals with the solubility limits of organic liquids liable to be spilled at sea during shipwrecking or other incidents at sea. The effects under consideration are induced by both salinity and temperature. The former is described through use of the Setchenov relationship, and the latter by using the Van't Hoff equation. A coupling of both relationships led to an equation applicable to scarcely soluble liquids and expressed in a simplified form usable in decision-support systems as a result of the choice of the reference state when writing the thermodynamic relationships. The mathematical relation we found was tested on experimental data about four compounds, i.e. dimethyldisulfide (DMDS), methyl methacrylate (MMA), 1-butanol (1-But), and methyl ethyl ketone (MEK), chosen because of their wide use in the industry and frequent transport by sea. All of them were studied at four salinity values and five temperatures, and the mathematical relation under test proved to be quite satisfactory.
Solubility
Salt
Temperature
Setchenov law
Thermodynamics
Dimethyldisulfide
Methyl methacrylate
Methyl ethyl ketone
1-Butanol
10.1016/j.jct.2011.11.020
48
54-64
1
InChI=1S/C2H6S2/c1-3-4-2/h1-2H3
WQOXQRCZOLPYPM-UHFFFAOYSA-N
2,3-dithiabutane
dimethyl disulfide
disulfide, dimethyl-
methyl disulfide
C2H6S2
1
Commercial source
1
99.98
4
Stated by supplier
2
InChI=1S/ClH.Na/h1H;/q;+1/p-1
FAPWRFPIFSIZLT-UHFFFAOYSA-M
sodium chloride
ClNa
1
Commercial source
1
99.5
3
Stated by supplier
3
InChI=1S/H2O/h1H2
XLYOFNOQVPJJNP-UHFFFAOYSA-N
water
H2O
1
Commercial source
1
99.8
3
Estimated by the compiler
4
InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3
VVQNEPGJFQJSBK-UHFFFAOYSA-N
methyl methacrylate
2-(methoxycarbonyl)-1-propene
2-methylpropenoic acid, methyl ester
methacrylic acid, methyl ester
methyl 2-methylpropenoate
C5H8O2
1
Commercial source
1
99
2
Stated by supplier
5
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
LRHPLDYGYMQRHN-UHFFFAOYSA-N
butan-1-ol
1-butanol
n-butanol
n-butyl alcohol
C4H10O
1
Commercial source
1
99.5
3
Stated by supplier
6
InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
ZWEHNKRNPOVVGH-UHFFFAOYSA-N
butanone
2-butanone
butan-2-one
ethyl methyl ketone
methyl ethyl ketone
C4H8O
1
Commercial source
1
99
2
Stated by supplier
1
1
1
2
1
3
1
Principal objective of the work
AB
TRC
9/5/2014
1
Molality, mol/kg
Chromatography
1
Liquid mixture 1
Direct value, X
2
3
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
2
Solvent: Molality, mol/kg
2
Liquid mixture 1
1
283.15
3
2
0
5
1
0.02282
4
1
0.00062
1
288.15
3
2
0
5
1
0.02331
4
1
0.00064
1
293.15
3
2
0
5
1
0.02374
4
1
0.00064
1
298.15
3
2
0
5
1
0.02416
4
1
0.00065
1
283.15
3
2
0.1711
4
1
0.02003
4
1
0.00055
1
288.15
3
2
0.1711
4
1
0.02059
4
1
0.00055
1
293.15
3
2
0.1711
4
1
0.02097
4
1
0.00057
1
298.15
3
2
0.1711
4
1
0.02136
4
1
0.00058
1
283.15
3
2
0.3422
4
1
0.01774
4
1
0.00048
1
288.15
3
2
0.3422
4
1
0.01808
4
1
0.00049
1
293.15
3
2
0.3422
4
1
0.01859
4
1
0.00051
1
298.15
3
2
0.3422
4
1
0.01908
4
1
0.00052
1
283.15
3
2
0.5818
4
1
0.01507
4
1
0.00041
1
288.15
3
2
0.5818
4
1
0.0155
4
1
0.00042
1
293.15
3
2
0.5818
4
1
0.01591
4
1
0.00044
1
298.15
3
2
0.5818
4
1
0.01633
4
1
0.00045
2
4
1
2
1
3
1
Principal objective of the work
AB
TRC
9/5/2014
1
Molality, mol/kg
Cloud point titration
4
Liquid mixture 1
Direct value, X
2
3
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
2
Solvent: Molality, mol/kg
2
Liquid mixture 1
1
283.15
3
2
0
5
1
0.115
3
1
0.005
1
288.15
3
2
0
5
1
0.126
3
1
0.005
1
293.15
3
2
0
5
1
0.128
3
1
0.005
1
298.15
3
2
0
5
1
0.124
3
1
0.005
1
283.15
3
2
0.1711
4
1
0.1
3
1
0.003
1
288.15
3
2
0.1711
4
1
0.115
3
1
0.005
1
293.15
3
2
0.1711
4
1
0.118
3
1
0.004
1
298.15
3
2
0.1711
4
1
0.118
3
1
0.005
1
283.15
3
2
0.3422
4
1
0.092
2
1
0.003
1
288.15
3
2
0.3422
4
1
0.103
3
1
0.006
1
293.15
3
2
0.3422
4
1
0.107
3
1
0.003
1
298.15
3
2
0.3422
4
1
0.111
3
1
0.005
1
283.15
3
2
0.5818
4
1
0.081
2
1
0.004
1
288.15
3
2
0.5818
4
1
0.093
2
1
0.003
1
293.15
3
2
0.5818
4
1
0.098
2
1
0.004
1
298.15
3
2
0.5818
4
1
0.103
3
1
0.005
3
5
1
2
1
3
1
Principal objective of the work
AB
TRC
9/5/2014
1
Molality, mol/kg
Chromatography
5
Liquid mixture 1
Direct value, X
2
3
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
2
Solvent: Molality, mol/kg
2
Liquid mixture 1
1
283.15
3
2
0
5
1
1.1148
5
1
0.0081
1
288.15
3
2
0
5
1
1.0975
5
1
0.0073
1
293.15
3
2
0
5
1
1.0418
5
1
0.0072
1
298.15
3
2
0
5
1
1.0089
5
1
0.0071
1
303.15
3
2
0
5
1
0.9475
4
1
0.0075
1
283.15
3
2
0.1711
4
1
1.0971
5
1
0.008
1
288.15
3
2
0.1711
4
1
1.0255
5
1
0.0078
1
293.15
3
2
0.1711
4
1
0.9792
4
1
0.0065
1
298.15
3
2
0.1711
4
1
0.962
4
1
0.0063
1
303.15
3
2
0.1711
4
1
0.9099
4
1
0.0067
1
283.15
3
2
0.3422
4
1
1.0255
5
1
0.0076
1
288.15
3
2
0.3422
4
1
0.9861
4
1
0.0064
1
293.15
3
2
0.3422
4
1
0.9737
4
1
0.0068
1
298.15
3
2
0.3422
4
1
0.9093
4
1
0.0064
1
303.15
3
2
0.3422
4
1
0.9004
4
1
0.0062
1
283.15
3
2
0.5818
4
1
0.9802
4
1
0.0077
1
288.15
3
2
0.5818
4
1
0.9196
4
1
0.0068
1
293.15
3
2
0.5818
4
1
0.9106
4
1
0.0061
1
298.15
3
2
0.5818
4
1
0.8852
4
1
0.0071
1
303.15
3
2
0.5818
4
1
0.815
4
1
0.0084
4
6
1
2
1
3
1
Principal objective of the work
AB
TRC
9/5/2014
1
Molality, mol/kg
Chromatography
6
Liquid mixture 1
Direct value, X
2
3
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
2
Solvent: Molality, mol/kg
2
Liquid mixture 1
1
283.15
3
2
0
5
1
4.811
4
1
0.966
1
288.15
3
2
0
5
1
4.354
4
1
0.875
1
293.15
3
2
0
5
1
3.785
4
1
0.761
1
298.15
3
2
0
5
1
3.12
4
1
0.628
1
303.15
3
2
0
5
1
2.385
4
1
0.482
1
283.15
3
2
0.1711
4
1
4.659
4
1
0.937
1
288.15
3
2
0.1711
4
1
3.813
4
1
0.767
1
293.15
3
2
0.1711
4
1
3.425
4
1
0.688
1
298.15
3
2
0.1711
4
1
2.759
4
1
0.555
1
303.15
3
2
0.1711
4
1
2.177
4
1
0.438
1
283.15
3
2
0.3422
4
1
3.979
4
1
0.799
1
288.15
3
2
0.3422
4
1
3.633
4
1
0.73
1
293.15
3
2
0.3422
4
1
3.037
4
1
0.611
1
298.15
3
2
0.3422
4
1
2.51
4
1
0.504
1
303.15
3
2
0.3422
4
1
2.08
4
1
0.419
1
283.15
3
2
0.5818
4
1
3.55
4
1
0.713
1
288.15
3
2
0.5818
4
1
3.12
4
1
0.626
1
293.15
3
2
0.5818
4
1
2.731
4
1
0.549
1
298.15
3
2
0.5818
4
1
2.163
4
1
0.435
1
303.15
3
2
0.5818
4
1
1.65
4
1
0.333
5
1
1
3
1
Principal objective of the work
AB
TRC
9/5/2014
1
Molality, mol/kg
Chromatography
1
Liquid mixture 1
Direct value, X
3
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
283.15
3
1
0.02282
4
1
0.00062
1
288.15
3
1
0.02331
4
1
0.00064
1
293.15
3
1
0.02374
4
1
0.00064
1
298.15
3
1
0.02416
4
1
0.00065
6
1
1
3
1
Principal objective of the work
AB
TRC
9/5/2014
1
Molality, mol/kg
Karl-Fischer titration
3
Liquid mixture 2
Direct value, X
1
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
283.15
3
1
0.078
2
1
0.012
1
288.15
3
1
0.083
2
1
0.012
1
293.15
3
1
0.123
3
1
0.012
1
298.15
3
1
0.133
3
1
0.012
7
4
1
3
1
Principal objective of the work
AB
TRC
9/5/2014
1
Molality, mol/kg
Cloud point titration
4
Liquid mixture 1
Direct value, X
3
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
283.15
3
1
0.115
3
1
0.005
1
288.15
3
1
0.126
3
1
0.005
1
293.15
3
1
0.128
3
1
0.005
1
298.15
3
1
0.124
3
1
0.005
8
4
1
3
1
Principal objective of the work
AB
TRC
9/5/2014
1
Molality, mol/kg
Karl-Fischer titration
3
Liquid mixture 2
Direct value, X
4
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
3
1
0.689
3
1
0.014
1
298.15
3
1
0.728
3
1
0.014
9
5
1
3
1
Principal objective of the work
AB
TRC
9/5/2014
1
Molality, mol/kg
Chromatography
5
Liquid mixture 1
Direct value, X
3
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
283.15
3
1
1.1148
5
1
0.0081
1
288.15
3
1
1.0975
5
1
0.0073
1
293.15
3
1
1.0418
5
1
0.0072
1
298.15
3
1
1.0089
5
1
0.0071
1
303.15
3
1
0.9475
4
1
0.0075
10
5
1
3
1
Principal objective of the work
AB
TRC
9/5/2014
1
Molality, mol/kg
Karl-Fischer titration
3
Liquid mixture 2
Direct value, X
5
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
3
1
11.555
5
1
0.26
1
298.15
3
1
10.478
5
1
0.237
11
6
1
3
1
Principal objective of the work
AB
TRC
9/5/2014
1
Molality, mol/kg
Chromatography
6
Liquid mixture 1
Direct value, X
3
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
283.15
3
1
4.811
4
1
0.966
1
288.15
3
1
4.354
4
1
0.875
1
293.15
3
1
3.785
4
1
0.761
1
298.15
3
1
3.12
4
1
0.628
1
303.15
3
1
2.385
4
1
0.482
12
6
1
3
1
Principal objective of the work
AB
TRC
9/5/2014
1
Molality, mol/kg
Karl-Fischer titration
3
Liquid mixture 2
Direct value, X
6
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
3
1
7.06
3
1
0.14
1
298.15
3
1
6.83
3
1
0.14