2
0
2017
mja
ahm
0
journal
Original
Mjalli, F. S.[Farouq S.]
Ahmad, O.[Omar]
Thermochim. Acta
2017
2020-09-29
Density of aqueous choline chloride-based ionic liquids analogues
Ionic liquids analogues known as Deep Eutectic Solvents (DESs) are increasingly realized in many chem-ical and industrial applications. The physical and chemical characteristics of these fluids are affectedconsiderably by their moisture content. This study focuses on the evaluation and prediction of the den-sity of choline chloride-based DES aqueous mixtures. The study involved six well known DESs with watermole fraction ranging between 0 and 1 within the temperature range (298.15 353.15 K). Since, the den-sity of pure DESs is more than that of water, the resulting aqueous mixtures density trends were similar.The Jouyban-Acree mixture density correlation was adopted for each DES mixture separately with verygood prediction accuracy. In addition, an alternative modified model was suggested. This model is capa-ble of predicting all DES mixtures density data based on their corresponding critical properties. Negativeexcess molar volume suggests formation of stronger H-bond and a more extensive H-bond networkwithin the mixture. This is enhanced by the packing effect created by difference between the molecularstructures of the DES and water. The aqueous DES solutions density model presented in this work mayassist in evaluating the effect of moisture content on this important physical property. This will furtherhelp in adopting proper chemical equipment design considerations and relevant process modeling andsimulation calculations.
Density
DES
Choline chloride
Eutectic
Physical property
Prediction
10.1016/j.tca.2016.11.008
647
8-14
1
InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
SGMZJAMFUVOLNK-UHFFFAOYSA-M
choline chloride
(.beta.-hydroxyethyl)trimethylammonium chloride
(2-hydroxyethyl)trimethylammonium chloride
2-hydroxy-N,N,N-trimethylethanaminium chloride
cholinium chloride
trimethyl(2-hydroxyethyl)ammonium chloride
C5H14ClNO
1
Commercial source
1
98
2
Stated by supplier
2
Dried by vacuum heating
2
InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
ZIBGPFATKBEMQZ-UHFFFAOYSA-N
triethylene glycol
1,2-bis(2-hydroxyethoxy)ethane
1,2-di(.beta.-hydroxyethoxy)ethane
2,2'-(ethane-1,2-diylbis(oxy))bis(ethan-1-ol)
2,2'-(ethylenedioxy)diethanol
2,2'-ethylenedioxydiethanol
2-(2-(2-hydroxyethoxy)ethoxy)ethanol
3,6-dioxa-1,8-octanediol
3,6-dioxaoctane-1,8-diol
ethylene glycol bis(2-hydroxyethyl) ether
glycol bis(hydroxyethyl) ether
triglycol
C6H14O4
1
Commercial source
1
99
2
Stated by supplier
3
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1
GZCGUPFRVQAUEE-SLPGGIOYSA-N
D-glucose
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
D(+)-glucose
dextrose
C6H12O6
1
Commercial source
1
99
2
Stated by supplier
2
Dried by vacuum heating
4
InChI=1S/H2O/h1H2
XLYOFNOQVPJJNP-UHFFFAOYSA-N
water
H2O
1
Commercial source
1
99.9
3
Estimated by the compiler
1
1
1
2
1
4
1
Principal objective of the work
AB
TRC
3/7/2017
1
Mass density, kg/m3
Vibrating tube method
Liquid
Direct value, X
1
2
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Solvent: Mole fraction
1
Liquid
0.333
3
2
Pressure, kPa
Liquid
101.3
4
1
Temperature, K
Liquid
2
Mole fraction
4
Liquid
1
303.15
5
2
0.9
1
1
1068
5
1
3
1
303.15
5
2
0.7
1
1
1105.3
5
1
3
1
303.15
5
2
0.5
1
1
1117.2
5
1
3.1
1
303.15
5
2
0.3
1
1
1122
5
1
3.1
1
303.15
5
2
0.1
1
1
1124.6
5
1
3.1
1
303.15
5
2
0
1
1
1125.4
5
1
2.1
1
313.15
5
2
0.9
1
1
1062.2
5
1
3
1
313.15
5
2
0.7
1
1
1098.7
5
1
3
1
313.15
5
2
0.5
1
1
1110.6
5
1
3.1
1
313.15
5
2
0.3
1
1
1115.4
5
1
3.1
1
313.15
5
2
0.1
1
1
1118.1
5
1
3.1
1
313.15
5
2
0
1
1
1118.9
5
1
2.1
1
323.15
5
2
0.9
1
1
1056
5
1
3
1
323.15
5
2
0.7
1
1
1092
5
1
3
1
323.15
5
2
0.5
1
1
1104
5
1
3
1
323.15
5
2
0.3
1
1
1108.9
5
1
3
1
323.15
5
2
0.1
1
1
1111.7
5
1
3.1
1
323.15
5
2
0
1
1
1112.5
5
1
2.1
1
333.15
5
2
0.9
1
1
1049
5
1
3
1
333.15
5
2
0.7
1
1
1085.3
5
1
3
1
333.15
5
2
0.5
1
1
1097.4
5
1
3
1
333.15
5
2
0.3
1
1
1102.5
5
1
3
1
333.15
5
2
0.1
1
1
1105.3
5
1
3
1
333.15
5
2
0
1
1
1106.2
5
1
2.1
1
343.15
5
2
0.9
1
1
1040
5
1
2.9
1
343.15
5
2
0.7
1
1
1078.4
5
1
3
1
343.15
5
2
0.5
1
1
1090.8
5
1
3
1
343.15
5
2
0.3
1
1
1096
5
1
3
1
343.15
5
2
0.1
1
1
1098.9
5
1
3
1
343.15
5
2
0
1
1
1099.8
5
1
2.1
1
353.15
5
2
0.9
1
1
1032.2
5
1
2.9
1
353.15
5
2
0.7
1
1
1071.5
5
1
3
1
353.15
5
2
0.5
1
1
1084.1
5
1
3
1
353.15
5
2
0.3
1
1
1089.5
5
1
3
1
353.15
5
2
0.1
1
1
1092.6
5
1
3
1
353.15
5
2
0
1
1
1093.5
5
1
2.1
2
3
1
1
1
4
1
Principal objective of the work
AB
TRC
3/7/2017
1
Mass density, kg/m3
Vibrating tube method
Liquid
Direct value, X
3
1
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Solvent: Mole fraction
1
Liquid
0.667
3
2
Pressure, kPa
Liquid
101.3
4
1
Temperature, K
Liquid
2
Mole fraction
4
Liquid
1
303.15
5
2
0.9
1
1
1114.7
5
1
3.1
1
303.15
5
2
0.7
1
1
1191.6
5
1
3.2
1
303.15
5
2
0.5
1
1
1217.7
5
1
3.2
1
303.15
5
2
0.3
1
1
1234.7
5
1
3.3
1
303.15
5
2
0.1
1
1
1241.6
5
1
3.3
1
303.15
5
2
0
1
1
1239.7
5
1
2.1
1
313.15
5
2
0.9
1
1
1110
5
1
3.1
1
313.15
5
2
0.7
1
1
1186.5
5
1
3.2
1
313.15
5
2
0.5
1
1
1212.6
5
1
3.2
1
313.15
5
2
0.3
1
1
1229.5
5
1
3.2
1
313.15
5
2
0.1
1
1
1236.5
5
1
3.3
1
313.15
5
2
0
1
1
1234.6
5
1
2.1
1
323.15
5
2
0.9
1
1
1104.6
5
1
3
1
323.15
5
2
0.7
1
1
1181.3
5
1
3.2
1
323.15
5
2
0.5
1
1
1207.5
5
1
3.2
1
323.15
5
2
0.3
1
1
1224.4
5
1
3.2
1
323.15
5
2
0.1
1
1
1231.3
5
1
3.3
1
323.15
5
2
0
1
1
1229.4
5
1
2.1
1
333.15
5
2
0.9
1
1
1098.5
5
1
3
1
333.15
5
2
0.7
1
1
1176.1
5
1
3.2
1
333.15
5
2
0.5
1
1
1202.3
5
1
3.2
1
333.15
5
2
0.3
1
1
1219.2
5
1
3.2
1
333.15
5
2
0.1
1
1
1226.2
5
1
3.2
1
333.15
5
2
0
1
1
1224.3
5
1
2.1
1
343.15
5
2
0.9
1
1
1091.2
5
1
3
1
343.15
5
2
0.7
1
1
1170.8
5
1
3.2
1
343.15
5
2
0.5
1
1
1197.1
5
1
3.2
1
343.15
5
2
0.3
1
1
1214.1
5
1
3.2
1
343.15
5
2
0.1
1
1
1221.1
5
1
3.2
1
343.15
5
2
0
1
1
1219.2
5
1
2.1
1
353.15
5
2
0.9
1
1
1084.6
5
1
3
1
353.15
5
2
0.7
1
1
1165.4
5
1
3.1
1
353.15
5
2
0.5
1
1
1191.9
5
1
3.2
1
353.15
5
2
0.3
1
1
1209
5
1
3.2
1
353.15
5
2
0.1
1
1
1215.8
5
1
3.2
1
353.15
5
2
0
1
1
1214
5
1
2.1
3
1
1
2
1
Principal objective of the work
AB
TRC
3/7/2017
1
Mass density, kg/m3
Vibrating tube method
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Mole fraction
1
Liquid
0.333
3
2
Pressure, kPa
Liquid
101.3
4
1
Temperature, K
Liquid
1
303.15
5
1
1125.4
5
1
3.1
1
313.15
5
1
1118.9
5
1
3.1
1
323.15
5
1
1112.5
5
1
3
1
333.15
5
1
1106.2
5
1
3
1
343.15
5
1
1099.8
5
1
3
1
353.15
5
1
1093.5
5
1
3
4
3
1
1
1
Principal objective of the work
AB
TRC
3/7/2017
1
Mass density, kg/m3
Vibrating tube method
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Mole fraction
1
Liquid
0.667
3
2
Pressure, kPa
Liquid
101.3
4
1
Temperature, K
Liquid
1
303.15
5
1
1239.7
5
1
3.4
1
313.15
5
1
1234.6
5
1
3.3
1
323.15
5
1
1229.4
5
1
3.3
1
333.15
5
1
1224.3
5
1
3.3
1
343.15
5
1
1219.2
5
1
3.3
1
353.15
5
1
1214
5
1
3.3