2
0
2010
gha
zar
1
journal
Original
Ghatee, M. H.[Mohammad Hadi]
Zare, M.[Morteza]
Moosavi, F.[Fatemeh]
Zolghadr, A. R.[Amin Reza]
J. Chem. Eng. Data
2010
2020-09-29
Temperature-Dependent Density and Viscosity of the Ionic Liquids 1-Alkyl-3-methylimidazolium Iodides: Experiment and Molecular Dynamics Simulation
The density and viscosity of synthesized 1-alkyl-3-methylimidazolium iodide ([Cnmim]I, n = 4, 6, 8) were measured in the wide range of temperature of (298 to 393) K. Using a vacuum line, measurements of the viscosity were made under a water-vapor free atmosphere. The viscosity decreases sharply with temperature and increases as the alkyl chain length increases. The molecular dynamics simulation was performed for the densities of these ionic liquids to remedy the lack of literature experimental data. The results are quite in agreement with the experiments, with a maximum deviation of 3.00 % due to [C8mim]I at 358 K. The viscosities fit best in the modified Arrhenius, Vogel-Fulcher-Tammann (VFT), and Litovitz equations. The viscosities also fit in the simple linear equation we proposed recently with accuracies comparable with Litovitz and VFT.
10.1021/je901092b
9
55
3084-3088
1
InChI=1S/C8H15N2.HI/c1-3-4-5-10-7-6-9(2)8-10;/h6-8H,3-5H2,1-2H3;1H/q+1;/p-1
XREPTGNZZKNFQZ-UHFFFAOYSA-M
1-butyl-3-methylimidazolium iodide
C8H15IN2
1
Synthesized by the authors
1
Dried by vacuum heating
2
99
2
NMR (proton)
2
InChI=1S/C10H19N2.HI/c1-3-4-5-6-7-12-9-8-11(2)10-12;/h8-10H,3-7H2,1-2H3;1H/q+1;/p-1
CZIUVCSYOGFUPH-UHFFFAOYSA-M
1-hexyl-3-methylimidazolium iodide
C10H19IN2
1
Synthesized by the authors
1
Dried by vacuum heating
2
99
2
NMR (proton)
3
InChI=1S/C12H23N2.HI/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;/h10-12H,3-9H2,1-2H3;1H/q+1;/p-1
KRLZUNVVBLGDJV-UHFFFAOYSA-M
1-methyl-3-octyl-1H-imidazolium iodide
1-methyl-3-octylimidazolium iodide
C12H23IN2
1
Synthesized by the authors
1
Dried by vacuum heating
2
99
2
NMR (proton)
1
1
1
Principal objective of the work
DJG
TRC
9/27/2010
1
Viscosity, Pa*s
CAPTUB:UFactor:4
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Pressure, kPa
Liquid
101.325
6
1
Temperature, K
Liquid
1
299.15
5
1
0.59368
5
1
0.13157
1
304.15
5
1
0.44264
5
1
0.08897
1
308.15
5
1
0.33695
5
1
0.06101
1
313.15
5
1
0.22798
5
1
0.03444
1
318.15
5
1
0.17386
5
1
0.02124
1
323.15
5
1
0.13423
5
1
0.01356
1
328.15
5
1
0.10534
5
1
0.00874
1
333.15
5
1
0.08151
4
1
0.00532
1
338.15
5
1
0.06585
4
1
0.00326
1
343.15
5
1
0.05343
4
1
0.00216
1
348.15
5
1
0.04468
4
1
0.00194
1
353.15
5
1
0.03652
4
1
0.00163
1
358.15
5
1
0.0304
4
1
0.00124
1
363.15
5
1
0.02611
4
1
0.00098
1
368.15
5
1
0.0225
4
1
0.00076
1
373.15
5
1
0.02043
4
1
0.00064
1
378.15
5
1
0.0181
4
1
0.00066
1
383.15
5
1
0.01522
4
1
0.00061
1
388.15
5
1
0.01311
4
1
0.00052
2
1
1
Principal objective of the work
DJG
TRC
9/27/2010
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
101.325
6
1
Temperature, K
Liquid
1
299.15
5
1
1434
4
1
10
1
304.15
5
1
1432
4
1
10
1
308.15
5
1
1430
3
1
10
1
313.15
5
1
1426
4
1
10
1
318.15
5
1
1422
4
1
10
1
323.15
5
1
1418
4
1
10
1
328.15
5
1
1414
4
1
10
1
333.15
5
1
1406
4
1
10
1
338.15
5
1
1400
2
1
10
1
343.15
5
1
1398
4
1
10
1
348.15
5
1
1396
4
1
10
1
353.15
5
1
1394
4
1
10
1
358.15
5
1
1392
4
1
10
1
363.15
5
1
1388
4
1
10
1
368.15
5
1
1386
4
1
10
1
373.15
5
1
1382
4
1
10
1
378.15
5
1
1376
4
1
10
1
383.15
5
1
1370
3
1
10
1
388.15
5
1
1360
3
1
10
3
2
1
Principal objective of the work
DJG
TRC
9/27/2010
1
Viscosity, Pa*s
CAPTUB:UFactor:4
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Pressure, kPa
Liquid
101.325
6
1
Temperature, K
Liquid
1
305.15
5
1
0.80979
5
1
0.20328
1
309.15
5
1
0.60007
5
1
0.13646
1
314.15
5
1
0.43298
5
1
0.08682
1
318.15
5
1
0.33425
5
1
0.05925
1
323.15
5
1
0.24555
5
1
0.03715
1
328.15
5
1
0.19014
5
1
0.02441
1
333.15
5
1
0.14647
5
1
0.01573
1
338.15
5
1
0.11613
5
1
0.01045
1
343.15
5
1
0.08804
4
1
0.00614
1
348.15
5
1
0.07385
4
1
0.00378
1
353.15
5
1
0.06063
4
1
0.00254
1
359.15
5
1
0.04847
4
1
0.00213
1
363.15
5
1
0.04223
4
1
0.00156
1
373.15
5
1
0.03045
4
1
0.00125
1
378.15
5
1
0.02662
4
1
0.00093
1
383.15
5
1
0.02319
4
1
0.00082
1
388.15
5
1
0.0203
4
1
0.00074
4
2
1
Principal objective of the work
DJG
TRC
9/27/2010
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
101.325
6
1
Temperature, K
Liquid
1
305.15
5
1
1326
4
1
10
1
309.15
5
1
1324
4
1
10
1
314.15
5
1
1322
4
1
10
1
318.15
5
1
1320
3
1
10
1
323.15
5
1
1318
4
1
10
1
328.15
5
1
1316
4
1
10
1
333.15
5
1
1314
4
1
10
1
338.15
5
1
1312
4
1
10
1
343.15
5
1
1310
3
1
10
1
348.15
5
1
1308
4
1
10
1
353.15
5
1
1306
4
1
10
1
359.15
5
1
1304
4
1
10
1
363.15
5
1
1302
4
1
10
1
373.15
5
1
1298
4
1
10
1
378.15
5
1
1296
4
1
10
1
383.15
5
1
1294
4
1
10
1
388.15
5
1
1292
4
1
10
5
3
1
Principal objective of the work
DJG
TRC
9/27/2010
1
Viscosity, Pa*s
CAPTUB:UFactor:4
Liquid
Direct value, X
1
Data file compiler
Propagation of evaluated standard uncertainties
95
Liquid
1
Pressure, kPa
Liquid
101.325
6
1
Temperature, K
Liquid
1
300.15
5
1
1.30626
6
1
0.38635
1
303.15
5
1
0.98111
5
1
0.26376
1
308.15
5
1
0.72671
5
1
0.1755
1
313.15
5
1
0.5243
5
1
0.1113
1
319.15
5
1
0.40437
5
1
0.07718
1
323.15
5
1
0.29666
5
1
0.05006
1
328.15
5
1
0.22909
5
1
0.03293
1
333.15
5
1
0.17435
5
1
0.02119
1
338.15
5
1
0.13853
5
1
0.01427
1
343.15
5
1
0.10481
5
1
0.00848
1
348.15
5
1
0.08902
4
1
0.00557
1
353.15
5
1
0.07317
4
1
0.00396
1
358.15
5
1
0.05841
4
1
0.00251
1
363.15
5
1
0.0496
4
1
0.00185
1
368.15
5
1
0.04321
4
1
0.00168
1
373.15
5
1
0.03557
4
1
0.00141
1
378.15
5
1
0.03143
4
1
0.00108
6
3
1
Principal objective of the work
DJG
TRC
9/27/2010
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
101.325
6
1
Temperature, K
Liquid
1
300.15
5
1
1258
4
1
10
1
303.15
5
1
1254
4
1
10
1
308.15
5
1
1250
3
1
10
1
313.15
5
1
1246
4
1
10
1
319.15
5
1
1242
4
1
10
1
323.15
5
1
1240
3
1
10
1
328.15
5
1
1234
4
1
10
1
333.15
5
1
1230
3
1
10
1
338.15
5
1
1228
4
1
10
1
343.15
5
1
1224
4
1
10
1
348.15
5
1
1218
4
1
10
1
353.15
5
1
1212
4
1
10
1
358.15
5
1
1210
3
1
10
1
363.15
5
1
1206
4
1
10
1
368.15
5
1
1204
4
1
10
1
373.15
5
1
1200
2
1
10
1
378.15
5
1
1196
4
1
10