2
0
2016
ma
guo
0
journal
Original
Ma, C.[Chunyan]
Guo, Y.[Yanhua]
Li, D.[Dongxue]
Zong, J.[Jianpeng]
Ji, X.[Xiaoyan]
Liu, C.[Chang]
Lu, X.[Xiaohua]
J. Chem. Eng. Data
2016
2020-09-29
Molar Enthalpy of Mixing for Choline Chloride/Urea Deep Eutectic Solvent + Water System
The molar enthalpies of mixing for binary systems of choline chloride (chcl)/urea deep eutectic solvents (mole ratios of 1:1.5, 1:2, and 1:2.5) with water were measured at 308.15 and 318.15 K under atmospheric pressure with an isothermal calorimeter. The binary mixture of (chcl/urea (1:2.5) + water) showed endothermic behavior over the entire range of compositions, while the binary mixtures of (chcl/urea (1:1.5) + water) and (chcl/urea (1:2) + water) showed endothermic behavior first and then was changed to be exothermic with increasing content of deep eutectic solvents. The Redlich Kister (RK) equation and the nonrandom two-liquid (NRTL) model were used to fit experimental molar enthalpies of mixing. The NRTL model with the fitted parameters was further used to predict the vapor pressure for the three systems and was compared with the experimental data from literature. For the binary mixtures of (chcl/urea (1:2) + water), the predicted vapor pressure agreed well with the experimental data only when the temperature was lower than 333.15 K and the mole fraction of chcl/urea (1:2) was lower than 0.1. Otherwise, the deviation increased greatly with an increase of the amount of chcl/urea (1:2).
10.1021/acs.jced.6b00569
12
61
4172-4177
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
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
XSQUKJJJFZCRTK-UHFFFAOYSA-N
urea
carbamide
carbamoylamine
CH4N2O
1
Commercial source
1
99
2
Stated by supplier
3
InChI=1S/H2O/h1H2
XLYOFNOQVPJJNP-UHFFFAOYSA-N
water
H2O
1
Commercial source
1
99.8
3
Estimated by the compiler
1
2
1
1
1
3
1
Principal objective of the work
EP
EP
9/20/2016
1
Molar enthalpy of mixing with solvent, kJ/mol
Power-compensation calorimetry
3
Liquid
Direct value, X
2
1
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Pressure, kPa
Liquid
101
3
1
Temperature, K
Liquid
2
Mole fraction
3
Liquid
3
Solvent: Amount ratio of component to other component of binary solvent
2
Liquid
1
308.15
5
2
0.8874
4
3
1.5
2
1
0.11029
5
1
0.0021
1
308.15
5
2
0.7998
4
3
1.5
2
1
0.12197
5
1
0.00425
1
308.15
5
2
0.6645
4
3
1.5
2
1
0.05202
4
1
0.00222
1
308.15
5
2
0.5399
4
3
1.5
2
1
-0.08887
4
1
0.00159
1
308.15
5
2
0.4067
4
3
1.5
2
1
-0.18243
5
1
0.00507
1
308.15
5
2
0.3465
4
3
1.5
2
1
-0.19405
5
1
0.01542
1
308.15
5
2
0.178
4
3
1.5
2
1
-0.15395
5
1
0.00636
1
308.15
5
2
0.1121
4
3
1.5
2
1
-0.12278
5
1
0.00894
1
318.15
5
2
0.9331
4
3
1.5
2
1
0.11342
5
1
0.00595
1
318.15
5
2
0.9032
4
3
1.5
2
1
0.13822
5
1
0.0083
1
318.15
5
2
0.8447
4
3
1.5
2
1
0.17503
5
1
0.01084
1
318.15
5
2
0.489
4
3
1.5
2
1
-0.19509
5
1
0.0046
1
318.15
5
2
0.3918
4
3
1.5
2
1
-0.25967
5
1
0.00695
1
318.15
5
2
0.2488
4
3
1.5
2
1
-0.27905
5
1
0.00638
1
318.15
5
2
0.11
4
3
1.5
2
1
-0.1736
4
1
0.0025
1
318.15
5
2
0.9205
4
3
2
2
1
0.11487
5
1
0.00169
1
318.15
5
2
0.8838
4
3
2
2
1
0.14489
5
1
0.00192
1
318.15
5
2
0.8195
4
3
2
2
1
0.18581
5
1
0.00245
1
318.15
5
2
0.5203
4
3
2
2
1
0.05402
4
1
0.00554
1
318.15
5
2
0.3651
4
3
2
2
1
-0.04266
4
1
0.00371
1
318.15
5
2
0.225
4
3
2
2
1
-0.09403
4
1
0.00325
1
318.15
5
2
0.0911
3
3
2
2
1
-0.08708
4
1
0.00145
1
308.15
5
2
0.9245
4
3
2
2
1
0.11209
5
1
0.00459
1
308.15
5
2
0.8451
4
3
2
2
1
0.17523
5
1
0.00849
1
308.15
5
2
0.7116
4
3
2
2
1
0.22268
5
1
0.01088
1
308.15
5
2
0.4913
4
3
2
2
1
0.15402
5
1
0.002
1
308.15
5
2
0.3117
4
3
2
2
1
-0.05461
4
1
0.02437
1
308.15
5
2
0.1618
4
3
2
2
1
-0.09734
4
1
0.03363
1
308.15
5
2
0.0906
3
3
2
2
1
-0.06699
4
1
0.00226
1
308.15
5
2
0.8357
4
3
2.5
2
1
0.18294
5
1
0.00457
1
308.15
5
2
0.7204
4
3
2.5
2
1
0.25571
5
1
0.00468
1
308.15
5
2
0.5609
4
3
2.5
2
1
0.28993
5
1
0.00809
1
308.15
5
2
0.4359
4
3
2.5
2
1
0.21274
5
1
0.02353
1
308.15
5
2
0.2908
4
3
2.5
2
1
0.13579
5
1
0.03714
1
308.15
5
2
0.1743
4
3
2.5
2
1
0.07915
4
1
0.04944
1
308.15
5
2
0.0733
3
3
2.5
2
1
0.04184
4
1
0.00112
1
318.15
5
2
0.9011
4
3
2.5
2
1
0.13814
5
1
0.00228
1
318.15
5
2
0.8607
4
3
2.5
2
1
0.17874
5
1
0.00996
1
318.15
5
2
0.7834
4
3
2.5
2
1
0.23524
5
1
0.00474
1
318.15
5
2
0.5927
4
3
2.5
2
1
0.22932
5
1
0.00308
1
318.15
5
2
0.4298
4
3
2.5
2
1
0.1684
5
1
0.00889
1
318.15
5
2
0.2396
4
3
2.5
2
1
0.06789
4
1
0.00348
1
318.15
5
2
0.1214
4
3
2.5
2
1
0.0247
4
1
0.00393
1
318.15
5
2
0.0757
3
3
2.5
2
1
0.01007
4
1
0.00124