2
0
2016
den
jia
0
journal
Original
Deng, D.[Dongshun]
Jiang, Y.[Yaotai]
Liu, X.[Xiaobang]
Zhang, Z.[Zhiliang]
Ai, N.[Ning]
J. Chem. Thermodyn.
2016
2020-09-29
Investigation of solubilities of carbon dioxide in five levulinic acid-based deep eutectic solvents and their thermodynamic properties
Solubilities of CO2 have been determined in five deep eutectic solvents (DESs) at temperatures (303.15 333.15) K with 10 K intervals under a pressure of (0 600.0) kPa using isochoric saturation method. These DESs were prepared from levulinic acid (LA) and quaternary ammonium salt (acetylcholine chloride, ACC; tetraethylammonium chloride, TEAC; tetraethylammonium bromide, TEAB; tetrabutylammonium chloride, TBAC; and tetrabutylammonium bromide, TBAB) with the mole ratio of 3:1. Henry s constants and thermodynamic properties such as Gibbs energy, enthalpy and entropy of dissolution were deduced by correlating the solubility data. Results demonstrated that the solubility of CO2 in DESs increased with the increasing pressure or the decreasing temperature. The enthalpies of dissolution were all exothermal in each condition. The Henry s law constants based on mole fraction and molality of CO2 in DESs vary from (12.30 to 28.66) MPa and (1.79 to 3.94) MPa, respectively.
Deep eutectic solvents
Carbon dioxide
Solubility
Henry s law constant
Thermodynamic properties
10.1016/j.jct.2016.08.015
103
212-217
1
InChI=1S/CO2/c2-1-3
CURLTUGMZLYLDI-UHFFFAOYSA-N
carbon dioxide
CO2
1
Commercial source
1
99.95
4
Stated by supplier
2
InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
JOOXCMJARBKPKM-UHFFFAOYSA-N
4-oxopentanoic acid
.beta.-acetylpropionic acid
levulinic acid
C5H8O3
1
Commercial source
1
98.5
3
Stated by supplier
2
0.096
2
Karl Fischer titration
3
InChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
JUGOREOARAHOCO-UHFFFAOYSA-M
acetylcholine chloride
2-acetoxy-N,N,N-trimethylethanaminium chloride
2-acetoxyethyltrimethylammonium chloride
C7H16ClNO2
1
Commercial source
1
99
2
Stated by supplier
2
0.16
2
Karl Fischer titration
4
InChI=1S/C8H20N.ClH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
YMBCJWGVCUEGHA-UHFFFAOYSA-M
tetraethylammonium chloride
ammonium, tetraethyl-, chloride
etamon chloride
ethanaminium, N,N,N-triethyl-, chloride
C8H20ClN
1
Commercial source
1
97
2
Stated by supplier
2
0.152
3
Karl Fischer titration
5
InChI=1S/C8H20N.BrH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
HWCKGOZZJDHMNC-UHFFFAOYSA-M
tetraethylammonium bromide
C8H20BrN
1
Commercial source
1
99
2
Stated by supplier
2
0.148
3
Karl Fischer titration
6
InChI=1S/C16H36N.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
NHGXDBSUJJNIRV-UHFFFAOYSA-M
tetrabutylammonium chloride
1-butanaminium, N,N,N-tributyl-, chloride
C16H36ClN
1
Commercial source
1
97
2
Stated by supplier
2
0.177
3
Karl Fischer titration
7
InChI=1S/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
JRMUNVKIHCOMHV-UHFFFAOYSA-M
tetrabutylammonium bromide
N,N,N-tributyl-1-butanaminium bromide
C16H36BrN
1
Commercial source
1
99
2
Stated by supplier
2
0.131
3
Karl Fischer titration
1
3
1
2
1
Principal objective of the work
AB
TRC
2/1/2017
1
Mass density, kg/m3
Pycnometric method
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Pressure, kPa
Liquid
101.3
4
2
Mole fraction
2
Liquid
0.75
2
1
Temperature, K
Liquid
1
303.15
5
1
1136.9
5
1
1.1
1
313.15
5
1
1129.4
5
1
1.1
1
323.15
5
1
1121.8
5
1
1.1
1
333.15
5
1
1114.4
5
1
1.1
2
4
1
2
1
Principal objective of the work
AB
TRC
2/1/2017
1
Mass density, kg/m3
Pycnometric method
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Pressure, kPa
Liquid
101.3
4
2
Mole fraction
2
Liquid
0.75
2
1
Temperature, K
Liquid
1
303.15
5
1
1090.3
5
1
1.3
1
313.15
5
1
1083.3
5
1
1.3
1
323.15
5
1
1076.1
5
1
1.3
1
333.15
5
1
1069.2
5
1
1.3
3
5
1
2
1
Principal objective of the work
AB
TRC
2/1/2017
1
Mass density, kg/m3
Pycnometric method
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Pressure, kPa
Liquid
101.3
4
2
Mole fraction
2
Liquid
0.75
2
1
Temperature, K
Liquid
1
303.15
5
1
1169.9
5
1
1.1
1
313.15
5
1
1162.2
5
1
1.1
1
323.15
5
1
1154.6
5
1
1.1
1
333.15
5
1
1147.4
5
1
1.2
4
2
1
6
1
Principal objective of the work
AB
TRC
2/1/2017
1
Mass density, kg/m3
Pycnometric method
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Pressure, kPa
Liquid
101.3
4
2
Mole fraction
2
Liquid
0.75
2
1
Temperature, K
Liquid
1
303.15
5
1
1027.3
5
1
1.2
1
313.15
5
1
1020.3
5
1
1.3
1
323.15
5
1
1013.1
5
1
1.3
1
333.15
5
1
1006
5
1
1.3
5
2
1
7
1
Principal objective of the work
AB
TRC
2/1/2017
1
Mass density, kg/m3
Pycnometric method
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Pressure, kPa
Liquid
101.3
4
2
Mole fraction
2
Liquid
0.75
2
1
Temperature, K
Liquid
1
303.15
5
1
1093.5
5
1
1.1
1
313.15
5
1
1086.2
5
1
1.1
1
323.15
5
1
1078.8
5
1
1.1
1
333.15
5
1
1072.1
5
1
1.1
6
3
1
2
1
1
1
Principal objective of the work
AB
TRC
2/1/2017
1
Molality, mol/kg
voulmetric method
1
Liquid
Direct value, X
3
2
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Solvent: Mole fraction
2
Liquid
0.75
2
1
Temperature, K
Liquid
2
Pressure, kPa
1
Gas
1
303.15
5
2
65.7
3
1
0.0421
3
1
0.0026
1
303.15
5
2
120.4
4
1
0.0722
3
1
0.0044
1
303.15
5
2
200
4
1
0.1134
4
1
0.0068
1
303.15
5
2
283.4
4
1
0.1608
4
1
0.0097
1
303.15
5
2
388.3
4
1
0.2178
4
1
0.0131
1
303.15
5
2
474.2
4
1
0.2637
4
1
0.0159
1
303.15
5
2
542.7
4
1
0.3009
4
1
0.0181
1
313.15
5
2
72.3
3
1
0.0338
3
1
0.0021
1
313.15
5
2
132.3
4
1
0.0576
3
1
0.0035
1
313.15
5
2
215.1
4
1
0.0967
3
1
0.0058
1
313.15
5
2
315.4
4
1
0.138
4
1
0.0083
1
313.15
5
2
410.2
4
1
0.1737
4
1
0.0104
1
313.15
5
2
511.8
4
1
0.2163
4
1
0.013
1
313.15
5
2
570.1
4
1
0.2414
4
1
0.0145
1
323.15
5
2
77.5
3
1
0.0261
3
1
0.0016
1
323.15
5
2
129.9
4
1
0.0438
3
1
0.0027
1
323.15
5
2
220.1
4
1
0.0738
3
1
0.0045
1
323.15
5
2
317.1
4
1
0.1068
4
1
0.0064
1
323.15
5
2
414.7
4
1
0.1392
4
1
0.0084
1
323.15
5
2
512.3
4
1
0.1708
4
1
0.0103
1
323.15
5
2
576.4
4
1
0.1928
4
1
0.0116
1
333.15
5
2
83
3
1
0.026
3
1
0.0016
1
333.15
5
2
133.5
4
1
0.0399
3
1
0.0024
1
333.15
5
2
223.6
4
1
0.0636
3
1
0.0038
1
333.15
5
2
320.6
4
1
0.0894
3
1
0.0054
1
333.15
5
2
415.2
4
1
0.1149
4
1
0.0069
1
333.15
5
2
513.3
4
1
0.1412
4
1
0.0085
1
333.15
5
2
571.6
4
1
0.1566
4
1
0.0094
7
4
1
2
1
1
1
Principal objective of the work
AB
TRC
2/1/2017
1
Molality, mol/kg
voulmetric method
1
Liquid
Direct value, X
4
2
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Solvent: Mole fraction
2
Liquid
0.75
2
1
Temperature, K
Liquid
2
Pressure, kPa
1
Gas
1
303.15
5
2
66.1
3
1
0.0347
3
1
0.0022
1
303.15
5
2
125.6
4
1
0.0643
3
1
0.0039
1
303.15
5
2
211.6
4
1
0.1082
4
1
0.0065
1
303.15
5
2
302.8
4
1
0.1499
4
1
0.009
1
303.15
5
2
404.1
4
1
0.198
4
1
0.0119
1
303.15
5
2
500.2
4
1
0.2445
4
1
0.0147
1
303.15
5
2
561.6
4
1
0.2741
4
1
0.0165
1
313.15
5
2
77.6
3
1
0.0299
3
1
0.0018
1
313.15
5
2
131.8
4
1
0.0507
3
1
0.0031
1
313.15
5
2
219.8
4
1
0.0837
3
1
0.005
1
313.15
5
2
316.9
4
1
0.1218
4
1
0.0073
1
313.15
5
2
416.9
4
1
0.1616
4
1
0.0097
1
313.15
5
2
516.4
4
1
0.202
4
1
0.0121
1
313.15
5
2
581.3
4
1
0.2273
4
1
0.0137
1
323.15
5
2
78
3
1
0.0277
3
1
0.0017
1
323.15
5
2
144.1
4
1
0.0492
3
1
0.003
1
323.15
5
2
229.1
4
1
0.0788
3
1
0.0047
1
323.15
5
2
325.9
4
1
0.1111
4
1
0.0067
1
323.15
5
2
421.6
4
1
0.143
4
1
0.0086
1
323.15
5
2
526
4
1
0.1778
4
1
0.0107
1
323.15
5
2
585.4
4
1
0.1975
4
1
0.0119
1
333.15
5
2
84
3
1
0.0221
3
1
0.0014
1
333.15
5
2
140.7
4
1
0.0391
3
1
0.0024
1
333.15
5
2
228.8
4
1
0.0655
3
1
0.0039
1
333.15
5
2
331.2
4
1
0.0963
3
1
0.0058
1
333.15
5
2
429.2
4
1
0.1238
4
1
0.0074
1
333.15
5
2
529.2
4
1
0.1545
4
1
0.0093
1
333.15
5
2
583.3
4
1
0.1717
4
1
0.0103
8
5
1
2
1
1
1
Principal objective of the work
AB
TRC
2/1/2017
1
Molality, mol/kg
voulmetric method
1
Liquid
Direct value, X
5
2
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Solvent: Mole fraction
2
Liquid
0.75
2
1
Temperature, K
Liquid
2
Pressure, kPa
1
Gas
1
303.15
5
2
68.7
3
1
0.0291
3
1
0.0018
1
303.15
5
2
122.4
4
1
0.0525
3
1
0.0032
1
303.15
5
2
210.3
4
1
0.0888
3
1
0.0054
1
303.15
5
2
305.1
4
1
0.1294
4
1
0.0078
1
303.15
5
2
402.4
4
1
0.1702
4
1
0.0102
1
303.15
5
2
500.5
4
1
0.2124
4
1
0.0128
1
303.15
5
2
564.4
4
1
0.2402
4
1
0.0144
1
313.15
5
2
84.2
3
1
0.033
3
1
0.002
1
313.15
5
2
139.1
4
1
0.0516
3
1
0.0031
1
313.15
5
2
230.1
4
1
0.0829
3
1
0.005
1
313.15
5
2
329.1
4
1
0.117
4
1
0.007
1
313.15
5
2
428.9
4
1
0.1511
4
1
0.0091
1
313.15
5
2
525.9
4
1
0.1838
4
1
0.011
1
313.15
5
2
587.7
4
1
0.2057
4
1
0.0124
1
323.15
5
2
83.1
3
1
0.024
3
1
0.0015
1
323.15
5
2
138.5
4
1
0.0396
3
1
0.0024
1
323.15
5
2
236.2
4
1
0.0677
3
1
0.0041
1
323.15
5
2
323.8
4
1
0.0936
3
1
0.0056
1
323.15
5
2
423.9
4
1
0.1233
4
1
0.0074
1
323.15
5
2
528.3
4
1
0.1525
4
1
0.0092
1
323.15
5
2
578.8
4
1
0.1684
4
1
0.0101
1
333.15
5
2
81.8
3
1
0.0214
3
1
0.0013
1
333.15
5
2
141
4
1
0.0366
3
1
0.0022
1
333.15
5
2
233.4
4
1
0.0598
3
1
0.0036
1
333.15
5
2
327.9
4
1
0.0827
3
1
0.005
1
333.15
5
2
429.6
4
1
0.1095
4
1
0.0066
1
333.15
5
2
529.4
4
1
0.1349
4
1
0.0081
1
333.15
5
2
587.8
4
1
0.1485
4
1
0.0089
9
2
1
1
1
6
1
Principal objective of the work
AB
TRC
2/1/2017
1
Molality, mol/kg
voulmetric method
1
Liquid
Direct value, X
2
6
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Solvent: Mole fraction
2
Liquid
0.75
2
1
Temperature, K
Liquid
2
Pressure, kPa
1
Gas
1
303.15
5
2
63.2
3
1
0.0339
3
1
0.0021
1
303.15
5
2
118.8
4
1
0.064
3
1
0.0039
1
303.15
5
2
200.6
4
1
0.1059
4
1
0.0064
1
303.15
5
2
293
4
1
0.1571
4
1
0.0095
1
303.15
5
2
389.8
4
1
0.2098
4
1
0.0126
1
303.15
5
2
494.3
4
1
0.2671
4
1
0.0161
1
303.15
5
2
559.1
4
1
0.3027
4
1
0.0182
1
313.15
5
2
69.7
3
1
0.038
3
1
0.0024
1
313.15
5
2
127.3
4
1
0.0648
3
1
0.0039
1
313.15
5
2
210.9
4
1
0.1011
4
1
0.0061
1
313.15
5
2
310
4
1
0.1435
4
1
0.0086
1
313.15
5
2
409.1
4
1
0.1895
4
1
0.0114
1
313.15
5
2
509.6
4
1
0.2349
4
1
0.0141
1
313.15
5
2
578.6
4
1
0.2682
4
1
0.0161
1
323.15
5
2
79.1
3
1
0.0294
3
1
0.0018
1
323.15
5
2
131.6
4
1
0.0479
3
1
0.0029
1
323.15
5
2
229.6
4
1
0.0839
3
1
0.0051
1
323.15
5
2
323.4
4
1
0.12
4
1
0.0072
1
323.15
5
2
424.2
4
1
0.1578
4
1
0.0095
1
323.15
5
2
524.4
4
1
0.1955
4
1
0.0118
1
323.15
5
2
591.6
4
1
0.221
4
1
0.0133
1
333.15
5
2
85
3
1
0.0255
3
1
0.0016
1
333.15
5
2
144.5
4
1
0.0442
3
1
0.0027
1
333.15
5
2
236.5
4
1
0.0726
3
1
0.0044
1
333.15
5
2
335.5
4
1
0.1024
4
1
0.0062
1
333.15
5
2
431.7
4
1
0.1328
4
1
0.008
1
333.15
5
2
533
4
1
0.1676
4
1
0.0101
1
333.15
5
2
589.8
4
1
0.1859
4
1
0.0112
10
2
1
1
1
7
1
Principal objective of the work
AB
TRC
2/1/2017
1
Molality, mol/kg
voulmetric method
1
Liquid
Direct value, X
2
7
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
Gas
1
Solvent: Mole fraction
2
Liquid
0.75
2
1
Temperature, K
Liquid
2
Pressure, kPa
1
Gas
1
303.15
5
2
70.2
3
1
0.0334
3
1
0.0021
1
303.15
5
2
122.9
4
1
0.0603
3
1
0.0037
1
303.15
5
2
206.2
4
1
0.0986
3
1
0.0059
1
303.15
5
2
301.7
4
1
0.1437
4
1
0.0086
1
303.15
5
2
401.5
4
1
0.1914
4
1
0.0115
1
303.15
5
2
500.4
4
1
0.2373
4
1
0.0143
1
303.15
5
2
568.2
4
1
0.2694
4
1
0.0162
1
313.15
5
2
82.6
3
1
0.0333
3
1
0.0021
1
313.15
5
2
198
4
1
0.0797
3
1
0.0048
1
313.15
5
2
290.6
4
1
0.1174
4
1
0.0071
1
313.15
5
2
400.4
4
1
0.1621
4
1
0.0097
1
313.15
5
2
499.9
4
1
0.2034
4
1
0.0122
1
313.15
5
2
568.4
4
1
0.2307
4
1
0.0139
1
323.15
5
2
101.1
4
1
0.0334
3
1
0.002
1
323.15
5
2
201.4
4
1
0.0628
3
1
0.0038
1
323.15
5
2
306.9
4
1
0.0995
3
1
0.006
1
323.15
5
2
402.3
4
1
0.1326
4
1
0.008
1
323.15
5
2
502.9
4
1
0.1672
4
1
0.01
1
323.15
5
2
566.6
4
1
0.189
4
1
0.0114
1
333.15
5
2
85.3
3
1
0.023
3
1
0.0014
1
333.15
5
2
142.3
4
1
0.0392
3
1
0.0024
1
333.15
5
2
230.7
4
1
0.0655
3
1
0.0039
1
333.15
5
2
326
4
1
0.0929
3
1
0.0056
1
333.15
5
2
423.2
4
1
0.1216
4
1
0.0073
1
333.15
5
2
523.5
4
1
0.1518
4
1
0.0091
1
333.15
5
2
586.4
4
1
0.1699
4
1
0.0102