Chem. J. Chinese Universities ›› 2022, Vol. 43 ›› Issue (3): 20210727.doi: 10.7503/cjcu20210727
• Physical Chemistry • Previous Articles Next Articles
CHEN Hanxiang1,2,3, BIAN Shaoju1,2, HU Bin1,2(), LI Wu1,2
Received:
2021-10-19
Online:
2022-03-10
Published:
2022-01-07
Contact:
HU Bin
E-mail:hubin@isl.ac.cn
Supported by:
CLC Number:
TrendMD:
CHEN Hanxiang, BIAN Shaoju, HU Bin, LI Wu. Molecular Simulation of the Osmotic Pressures for LiCl-NaCl-KCl-H2O Solution System[J]. Chem. J. Chinese Universities, 2022, 43(3): 20210727.
System | Number of models | Molality/(mol?kg-1) | Number of particles in models | r |
---|---|---|---|---|
LiCl?H2O | 8 | 0.5—4.7 | 8000 water a, 80—640 ion pairs | |
NaCl?H2O | 8 | 0.5—4.7 | 8000 water a, 80—640 ion pairs | |
KCl?H2O | 8 | 0.5—4.7 | 8000 water a, 80—640 ion pairs | |
LiCl?NaCl?H2O | 28 | 1.1—4.7 | 8000 water a, 160—640 ion pairs | 1∶4, 2∶3, 3∶2, 4∶1 b |
LiCl?KCl?H2O | 28 | 1.1—4.7 | 8000 water a, 160—640 ion pairs | 1∶4, 2∶3, 3∶2, 4∶1 b |
NaCl?KCl?H2O | 28 | 1.1—4.7 | 8000 water a, 160—640 ion pairs | 1∶4, 2∶3, 3∶2, 4∶1 b |
LiCl?NaCl?KCl?H2O | 24 | 0.8—4.7 | 8000 water a, 160—640 ion pairs | 2∶1∶1, 1∶2∶1, 1∶1∶2 c |
Table 1 Number of models, molalities and number of particles in models of all solution systems for simulation
System | Number of models | Molality/(mol?kg-1) | Number of particles in models | r |
---|---|---|---|---|
LiCl?H2O | 8 | 0.5—4.7 | 8000 water a, 80—640 ion pairs | |
NaCl?H2O | 8 | 0.5—4.7 | 8000 water a, 80—640 ion pairs | |
KCl?H2O | 8 | 0.5—4.7 | 8000 water a, 80—640 ion pairs | |
LiCl?NaCl?H2O | 28 | 1.1—4.7 | 8000 water a, 160—640 ion pairs | 1∶4, 2∶3, 3∶2, 4∶1 b |
LiCl?KCl?H2O | 28 | 1.1—4.7 | 8000 water a, 160—640 ion pairs | 1∶4, 2∶3, 3∶2, 4∶1 b |
NaCl?KCl?H2O | 28 | 1.1—4.7 | 8000 water a, 160—640 ion pairs | 1∶4, 2∶3, 3∶2, 4∶1 b |
LiCl?NaCl?KCl?H2O | 24 | 0.8—4.7 | 8000 water a, 160—640 ion pairs | 2∶1∶1, 1∶2∶1, 1∶1∶2 c |
Solution | Molality/(mol?kg-1) | Membrane energy/(kJ?mol-1) | Pressure from FS method/MPa | Pressure from MEF method/MPa | Referenced pressure[ |
---|---|---|---|---|---|
LiCl | 0.56 | -0.174 | 2.80 | 3.12 | 2.75 |
LiCl | 1.13 | -0.248 | 6.31 | 5.30 | 5.79 |
LiCl | 1.70 | -0.364 | 9.27 | 8.71 | 9.23 |
LiCl | 2.28 | -0.570 | 10.11 | 14.77 | 13.11 |
LiCl | 2.87 | -0.752 | 16.12 | 20.09 | 17.47 |
LiCl | 3.48 | -0.720 | 12.14 | 19.16 | 22.34 |
LiCl | 4.08 | -0.992 | 21.11 | 27.05 | 27.82 |
LiCl | 4.70 | -1.240 | 26.17 | 34.20 | 33.89 |
NaCl | 0.56 | -0.133 | 1.84 | 2.96 | 2.62 |
NaCl | 1.12 | -0.262 | 7.00 | 5.07 | 5.30 |
NaCl | 1.69 | -0.406 | 10.07 | 7.62 | 8.13 |
NaCl | 2.27 | -0.611 | 13.97 | 11.58 | 11.14 |
NaCl | 2.86 | -0.807 | 15.43 | 15.75 | 14.33 |
NaCl | 3.45 | -0.819 | 18.76 | 16.04 | 17.75 |
NaCl | 4.05 | -1.087 | 24.00 | 22.37 | 21.42 |
NaCl | 4.67 | -1.175 | 25.76 | 24.62 | 25.32 |
KCl | 0.56 | -0.113 | 2.79 | 2.53 | 2.54 |
KCl | 1.13 | -0.331 | 7.15 | 5.18 | 5.05 |
KCl | 1.71 | -0.466 | 10.11 | 7.46 | 7.58 |
KCl | 2.30 | -0.600 | 13.42 | 10.18 | 10.16 |
KCl | 2.90 | -0.699 | 14.47 | 12.50 | 12.81 |
KCl | 3.51 | -0.912 | 19.66 | 18.38 | 15.55 |
KCl | 4.15 | -0.902 | 20.39 | 18.07 | 18.36 |
KCl | 4.78 | -0.934 | 23.97 | 19.05 | 21.29 |
Table 2 Main numeric results of binary solution system simulations
Solution | Molality/(mol?kg-1) | Membrane energy/(kJ?mol-1) | Pressure from FS method/MPa | Pressure from MEF method/MPa | Referenced pressure[ |
---|---|---|---|---|---|
LiCl | 0.56 | -0.174 | 2.80 | 3.12 | 2.75 |
LiCl | 1.13 | -0.248 | 6.31 | 5.30 | 5.79 |
LiCl | 1.70 | -0.364 | 9.27 | 8.71 | 9.23 |
LiCl | 2.28 | -0.570 | 10.11 | 14.77 | 13.11 |
LiCl | 2.87 | -0.752 | 16.12 | 20.09 | 17.47 |
LiCl | 3.48 | -0.720 | 12.14 | 19.16 | 22.34 |
LiCl | 4.08 | -0.992 | 21.11 | 27.05 | 27.82 |
LiCl | 4.70 | -1.240 | 26.17 | 34.20 | 33.89 |
NaCl | 0.56 | -0.133 | 1.84 | 2.96 | 2.62 |
NaCl | 1.12 | -0.262 | 7.00 | 5.07 | 5.30 |
NaCl | 1.69 | -0.406 | 10.07 | 7.62 | 8.13 |
NaCl | 2.27 | -0.611 | 13.97 | 11.58 | 11.14 |
NaCl | 2.86 | -0.807 | 15.43 | 15.75 | 14.33 |
NaCl | 3.45 | -0.819 | 18.76 | 16.04 | 17.75 |
NaCl | 4.05 | -1.087 | 24.00 | 22.37 | 21.42 |
NaCl | 4.67 | -1.175 | 25.76 | 24.62 | 25.32 |
KCl | 0.56 | -0.113 | 2.79 | 2.53 | 2.54 |
KCl | 1.13 | -0.331 | 7.15 | 5.18 | 5.05 |
KCl | 1.71 | -0.466 | 10.11 | 7.46 | 7.58 |
KCl | 2.30 | -0.600 | 13.42 | 10.18 | 10.16 |
KCl | 2.90 | -0.699 | 14.47 | 12.50 | 12.81 |
KCl | 3.51 | -0.912 | 19.66 | 18.38 | 15.55 |
KCl | 4.15 | -0.902 | 20.39 | 18.07 | 18.36 |
KCl | 4.78 | -0.934 | 23.97 | 19.05 | 21.29 |
Solution | c2 | c1 | c0 |
---|---|---|---|
LiCl | -7.884 | -124.7 | -2.066 |
NaCl | 85.21 | -60.30 | 0.9623 |
KCl | 231.1 | -26.40 | 1.648 |
Table 3 Final fitted parameters of MEF method
Solution | c2 | c1 | c0 |
---|---|---|---|
LiCl | -7.884 | -124.7 | -2.066 |
NaCl | 85.21 | -60.30 | 0.9623 |
KCl | 231.1 | -26.40 | 1.648 |
Solution | RMSE MD?FS(%) | RMSE MD?MEF(%) |
---|---|---|
LiCl?KCl?H2O | 7.9 | 2.6 |
LiCl?NaCl?H2O | 8.6 | 2.7 |
NaCl?KCl?H2O | 12.4 | 2.6 |
LiCl?NaCl?KCl?H2O | 6.8 | 2.0 |
Table 4 Error analysis of computed osmotic pressures of ternary and quaternary systems
Solution | RMSE MD?FS(%) | RMSE MD?MEF(%) |
---|---|---|
LiCl?KCl?H2O | 7.9 | 2.6 |
LiCl?NaCl?H2O | 8.6 | 2.7 |
NaCl?KCl?H2O | 12.4 | 2.6 |
LiCl?NaCl?KCl?H2O | 6.8 | 2.0 |
Fig.8 Radial distribution functions of water?ion pairs of binary systems and ternary system LiCl?KCl?H2O(A) 4.4 mol/kg MCl?H2O water?ion RDF; (B) 6.0 mol/kg LiCl?KCl?H2O water?ion RDF; (C) 3.0 mol/kg LiCl?KCl?H2O water?ion RDF.
Solution | r | Molality/ (mol?kg-1) | Membrane energy/(kJ?mol-1) | Pressure from FS method/MPa | Pressure from MEF method/MPa | Referenced pressure[44―46]/MPa |
---|---|---|---|---|---|---|
LiCl?KCl | 1∶4 | 1.13 | -0.270 | 7.73 | 4.63 | 5.17 |
LiCl?KCl | 1∶4 | 1.71 | -0.378 | 10.78 | 6.57 | 7.82 |
LiCl?KCl | 1∶4 | 2.29 | -0.521 | 12.15 | 9.48 | 10.59 |
LiCl?KCl | 1∶4 | 2.89 | -0.806 | 20.80 | 16.59 | 13.46 |
LiCl?KCl | 1∶4 | 3.51 | -0.919 | 25.48 | 19.88 | 16.42 |
LiCl?KCl | 1∶4 | 4.13 | -1.040 | 30.94 | 23.68 | 19.55 |
LiCl?KCl | 1∶4 | 4.76 | -1.113 | 30.67 | 26.13 | 22.82 |
LiCl?KCl | 2∶3 | 1.13 | -0.296 | 9.94 | 5.50 | 5.30 |
LiCl?KCl | 2∶3 | 1.71 | -0.506 | 16.14 | 10.10 | 8.11 |
LiCl?KCl | 2∶3 | 2.29 | -0.545 | 17.59 | 11.01 | 11.09 |
LiCl?KCl | 2∶3 | 2.89 | -0.792 | 22.55 | 17.44 | 14.23 |
LiCl?KCl | 2∶3 | 3.50 | -0.809 | 22.10 | 17.94 | 17.55 |
LiCl?KCl | 2∶3 | 4.12 | -0.844 | 24.73 | 18.95 | 21.10 |
LiCl?KCl | 2∶3 | 4.75 | -1.157 | 35.18 | 28.70 | 24.82 |
LiCl?KCl | 3∶2 | 1.13 | -0.327 | 7.51 | 6.63 | 5.44 |
LiCl?KCl | 3∶2 | 1.70 | -0.371 | 11.43 | 7.67 | 8.44 |
LiCl?KCl | 3∶2 | 2.29 | -0.572 | 13.64 | 12.73 | 11.67 |
LiCl?KCl | 3∶2 | 2.88 | -0.655 | 20.31 | 14.95 | 15.17 |
LiCl?KCl | 3∶2 | 3.49 | -0.742 | 20.81 | 17.31 | 18.92 |
LiCl?KCl | 3∶2 | 4.10 | -0.875 | 22.01 | 21.11 | 22.99 |
LiCl?KCl | 3∶2 | 4.73 | -1.185 | 32.23 | 30.63 | 27.35 |
LiCl?KCl | 4∶1 | 1.13 | -0.276 | 6.95 | 5.78 | 5.61 |
LiCl?KCl | 4∶1 | 1.70 | -0.326 | 8.24 | 7.11 | 8.81 |
LiCl?KCl | 4∶1 | 2.29 | -0.492 | 11.90 | 11.58 | 12.34 |
LiCl?KCl | 4∶1 | 2.88 | -0.719 | 19.43 | 17.92 | 16.24 |
LiCl?KCl | 4∶1 | 3.48 | -0.868 | 28.16 | 22.20 | 20.52 |
LiCl?KCl | 4∶1 | 4.09 | -1.034 | 26.05 | 27.08 | 25.23 |
LiCl?KCl | 4∶1 | 4.71 | -1.226 | 30.80 | 32.89 | 30.38 |
LiCl?NaCl | 1∶4 | 1.12 | -0.274 | 7.43 | 5.43 | 5.42 |
LiCl?NaCl | 1∶4 | 1.69 | -0.513 | 14.15 | 10.34 | 8.38 |
LiCl?NaCl | 1∶4 | 2.27 | -0.583 | 16.73 | 11.84 | 11.57 |
LiCl?NaCl | 1∶4 | 2.86 | -0.689 | 19.53 | 14.22 | 15.01 |
LiCl?NaCl | 1∶4 | 3.45 | -0.950 | 28.48 | 20.40 | 18.75 |
LiCl?NaCl | 1∶4 | 4.06 | -1.027 | 31.16 | 22.34 | 22.77 |
LiCl?NaCl | 1∶4 | 4.66 | -1.338 | 39.75 | 30.57 | 27.13 |
LiCl?NaCl | 2∶3 | 1.12 | -0.261 | 11.24 | 5.32 | 5.52 |
Solution | r | Molality/ (mol?kg-1) | Membrane energy/(kJ?mol-1) | Pressure from FS method/MPa | Pressure from MEF method/MPa | Referenced pressure[44―46]/MPa |
LiCl?NaCl | 2∶3 | 1.69 | -0.502 | 14.38 | 10.76 | 8.61 |
LiCl?NaCl | 2∶3 | 2.27 | -0.604 | 18.93 | 13.18 | 12.00 |
LiCl?NaCl | 2∶3 | 2.86 | -0.686 | 20.43 | 15.15 | 15.66 |
LiCl?NaCl | 2∶3 | 3.46 | -0.812 | 28.41 | 18.25 | 19.67 |
LiCl?NaCl | 2∶3 | 4.06 | -1.022 | 29.51 | 23.64 | 24.07 |
LiCl?NaCl | 2∶3 | 4.67 | -1.200 | 30.19 | 28.38 | 28.85 |
LiCl?NaCl | 3∶2 | 1.12 | -0.296 | 11.00 | 6.29 | 5.62 |
LiCl?NaCl | 3∶2 | 1.70 | -0.494 | 15.00 | 11.24 | 8.82 |
LiCl?NaCl | 3∶2 | 2.28 | -0.476 | 12.19 | 10.78 | 12.37 |
LiCl?NaCl | 3∶2 | 2.86 | -0.678 | 21.28 | 15.95 | 16.30 |
LiCl?NaCl | 3∶2 | 3.46 | -0.869 | 26.12 | 20.97 | 20.61 |
LiCl?NaCl | 3∶2 | 4.07 | -1.119 | 31.95 | 27.70 | 25.36 |
LiCl?NaCl | 3∶2 | 4.68 | -1.215 | 35.19 | 30.36 | 30.56 |
LiCl?NaCl | 4∶1 | 1.13 | -0.224 | 7.82 | 4.55 | 5.71 |
LiCl?NaCl | 4∶1 | 1.70 | -0.409 | 10.65 | 9.57 | 9.03 |
LiCl?NaCl | 4∶1 | 2.28 | -0.440 | 12.07 | 10.41 | 12.75 |
LiCl?NaCl | 4∶1 | 2.87 | -0.935 | 25.25 | 24.07 | 16.90 |
LiCl?NaCl | 4∶1 | 3.47 | -0.860 | 25.68 | 21.98 | 21.49 |
LiCl?NaCl | 4∶1 | 4.07 | -1.018 | 24.98 | 26.40 | 26.60 |
LiCl?NaCl | 4∶1 | 4.69 | -1.084 | 31.94 | 28.22 | 32.23 |
NaCl?KCl | 1∶4 | 1.12 | -0.282 | 9.00 | 4.66 | 5.10 |
NaCl?KCl | 1∶4 | 1.69 | -0.505 | 17.10 | 8.46 | 7.70 |
NaCl?KCl | 1∶4 | 2.28 | -0.478 | 14.66 | 7.94 | 10.36 |
NaCl?KCl | 1∶4 | 2.86 | -0.662 | 21.18 | 11.81 | 13.12 |
NaCl?KCl | 1∶4 | 3.46 | -0.777 | 24.48 | 14.64 | 15.96 |
NaCl?KCl | 1∶4 | 4.06 | -1.145 | 34.74 | 25.73 | 18.95 |
NaCl?KCl | 1∶4 | 4.68 | -1.249 | 37.30 | 29.42 | 22.01 |
NaCl?KCl | 2∶3 | 1.13 | -0.263 | 10.25 | 4.57 | 5.13 |
NaCl?KCl | 2∶3 | 1.70 | -0.542 | 16.49 | 9.44 | 7.76 |
NaCl?KCl | 2∶3 | 2.28 | -0.568 | 16.18 | 9.99 | 10.48 |
NaCl?KCl | 2∶3 | 2.87 | -0.750 | 23.77 | 14.08 | 13.30 |
NaCl?KCl | 2∶3 | 3.47 | -0.829 | 26.98 | 16.06 | 16.23 |
NaCl?KCl | 2∶3 | 4.08 | -0.923 | 29.60 | 18.61 | 19.30 |
NaCl?KCl | 2∶3 | 4.71 | -1.160 | 34.48 | 25.73 | 22.48 |
NaCl?KCl | 3∶2 | 1.13 | -0.284 | 7.54 | 5.07 | 5.18 |
NaCl?KCl | 3∶2 | 1.70 | -0.481 | 14.36 | 8.50 | 7.85 |
NaCl?KCl | 3∶2 | 2.29 | -0.568 | 16.58 | 10.23 | 10.63 |
NaCl?KCl | 3∶2 | 2.88 | -0.799 | 23.79 | 15.39 | 13.54 |
NaCl?KCl | 3∶2 | 3.49 | -0.866 | 25.25 | 17.06 | 16.58 |
NaCl?KCl | 3∶2 | 4.08 | -0.981 | 29.55 | 20.09 | 19.76 |
NaCl?KCl | 3∶2 | 4.73 | -1.154 | 34.85 | 25.06 | 23.15 |
NaCl?KCl | 4∶1 | 1.13 | -0.308 | 7.74 | 5.65 | 5.22 |
NaCl?KCl | 4∶1 | 1.70 | -0.392 | 13.18 | 7.11 | 7.95 |
NaCl?KCl | 4∶1 | 2.29 | -0.572 | 15.97 | 10.55 | 10.82 |
NaCl?KCl | 4∶1 | 2.89 | -0.684 | 17.87 | 12.90 | 13.82 |
NaCl?KCl | 4∶1 | 3.49 | -0.806 | 21.23 | 15.66 | 17.03 |
NaCl?KCl | 4∶1 | 4.12 | -0.897 | 28.55 | 17.84 | 20.39 |
NaCl?KCl | 4∶1 | 4.76 | -1.001 | 30.74 | 20.45 | 23.97 |
LiCl?NaCl?KCl | 1∶1∶2 | 0.90 | -0.282 | 9.00 | 5.17 | 4.39 |
LiCl?NaCl?KCl | 1∶1∶2 | 1.36 | -0.332 | 8.97 | 6.12 | 6.75 |
Solution | r | Molality/ (mol?kg-1) | Membrane energy/(kJ?mol-1) | Pressure from FS method/MPa | Pressure from MEF method/MPa | Referenced pressure[44―46]/MPa |
LiCl?NaCl?KCl | 1∶1∶2 | 1.82 | -0.455 | 11.78 | 8.61 | 9.21 |
LiCl?NaCl?KCl | 1∶1∶2 | 2.29 | -0.561 | 15.12 | 10.94 | 11.78 |
LiCl?NaCl?KCl | 1∶1∶2 | 2.76 | -0.709 | 20.41 | 14.50 | 14.42 |
LiCl?NaCl?KCl | 1∶1∶2 | 3.24 | -0.813 | 25.55 | 17.18 | 17.14 |
LiCl?NaCl?KCl | 1∶1∶2 | 3.73 | -0.909 | 26.39 | 19.84 | 19.96 |
LiCl?NaCl?KCl | 1∶1∶2 | 4.22 | -0.894 | 30.80 | 19.42 | 22.87 |
LiCl?NaCl?KCl | 1∶1∶2 | 4.73 | -1.202 | 32.89 | 28.77 | 25.85 |
LiCl?NaCl?KCl | 1∶2∶1 | 0.90 | -0.260 | 9.95 | 4.97 | 4.43 |
LiCl?NaCl?KCl | 1∶2∶1 | 1.35 | -0.307 | 8.22 | 5.89 | 6.83 |
LiCl?NaCl?KCl | 1∶2∶1 | 1.81 | -0.389 | 12.59 | 7.53 | 9.36 |
LiCl?NaCl?KCl | 1∶2∶1 | 2.28 | -0.643 | 17.73 | 13.13 | 12.00 |
LiCl?NaCl?KCl | 1∶2∶1 | 2.75 | -0.693 | 23.24 | 14.32 | 14.75 |
LiCl?NaCl?KCl | 1∶2∶1 | 3.23 | -0.859 | 26.71 | 18.47 | 17.58 |
LiCl?NaCl?KCl | 1∶2∶1 | 3.71 | -0.957 | 26.29 | 21.07 | 20.55 |
LiCl?NaCl?KCl | 1∶2∶1 | 4.21 | -0.952 | 28.65 | 20.92 | 23.59 |
LiCl?NaCl?KCl | 1∶2∶1 | 4.70 | -1.191 | 31.36 | 27.68 | 26.77 |
LiCl?NaCl?KCl | 2∶1∶1 | 0.90 | -0.246 | 7.44 | 4.82 | 4.51 |
LiCl?NaCl?KCl | 2∶1∶1 | 1.35 | -0.330 | 10.92 | 6.71 | 7.01 |
LiCl?NaCl?KCl | 2∶1∶1 | 1.82 | -0.360 | 11.20 | 7.40 | 9.66 |
LiCl?NaCl?KCl | 2∶1∶1 | 2.28 | -0.654 | 18.29 | 14.59 | 12.47 |
LiCl?NaCl?KCl | 2∶1∶1 | 2.76 | -0.708 | 22.02 | 15.98 | 15.42 |
LiCl?NaCl?KCl | 2∶1∶1 | 3.23 | -0.977 | 29.43 | 23.35 | 18.53 |
LiCl?NaCl?KCl | 2∶1∶1 | 3.72 | -0.851 | 24.05 | 19.82 | 21.78 |
LiCl?NaCl?KCl | 2∶1∶1 | 4.21 | -0.883 | 23.87 | 20.70 | 25.18 |
LiCl?NaCl?KCl | 2∶1∶1 | 4.72 | -1.090 | 28.52 | 26.60 | 28.74 |
Table 5 Main numeric results of ternary solution simulations
Solution | r | Molality/ (mol?kg-1) | Membrane energy/(kJ?mol-1) | Pressure from FS method/MPa | Pressure from MEF method/MPa | Referenced pressure[44―46]/MPa |
---|---|---|---|---|---|---|
LiCl?KCl | 1∶4 | 1.13 | -0.270 | 7.73 | 4.63 | 5.17 |
LiCl?KCl | 1∶4 | 1.71 | -0.378 | 10.78 | 6.57 | 7.82 |
LiCl?KCl | 1∶4 | 2.29 | -0.521 | 12.15 | 9.48 | 10.59 |
LiCl?KCl | 1∶4 | 2.89 | -0.806 | 20.80 | 16.59 | 13.46 |
LiCl?KCl | 1∶4 | 3.51 | -0.919 | 25.48 | 19.88 | 16.42 |
LiCl?KCl | 1∶4 | 4.13 | -1.040 | 30.94 | 23.68 | 19.55 |
LiCl?KCl | 1∶4 | 4.76 | -1.113 | 30.67 | 26.13 | 22.82 |
LiCl?KCl | 2∶3 | 1.13 | -0.296 | 9.94 | 5.50 | 5.30 |
LiCl?KCl | 2∶3 | 1.71 | -0.506 | 16.14 | 10.10 | 8.11 |
LiCl?KCl | 2∶3 | 2.29 | -0.545 | 17.59 | 11.01 | 11.09 |
LiCl?KCl | 2∶3 | 2.89 | -0.792 | 22.55 | 17.44 | 14.23 |
LiCl?KCl | 2∶3 | 3.50 | -0.809 | 22.10 | 17.94 | 17.55 |
LiCl?KCl | 2∶3 | 4.12 | -0.844 | 24.73 | 18.95 | 21.10 |
LiCl?KCl | 2∶3 | 4.75 | -1.157 | 35.18 | 28.70 | 24.82 |
LiCl?KCl | 3∶2 | 1.13 | -0.327 | 7.51 | 6.63 | 5.44 |
LiCl?KCl | 3∶2 | 1.70 | -0.371 | 11.43 | 7.67 | 8.44 |
LiCl?KCl | 3∶2 | 2.29 | -0.572 | 13.64 | 12.73 | 11.67 |
LiCl?KCl | 3∶2 | 2.88 | -0.655 | 20.31 | 14.95 | 15.17 |
LiCl?KCl | 3∶2 | 3.49 | -0.742 | 20.81 | 17.31 | 18.92 |
LiCl?KCl | 3∶2 | 4.10 | -0.875 | 22.01 | 21.11 | 22.99 |
LiCl?KCl | 3∶2 | 4.73 | -1.185 | 32.23 | 30.63 | 27.35 |
LiCl?KCl | 4∶1 | 1.13 | -0.276 | 6.95 | 5.78 | 5.61 |
LiCl?KCl | 4∶1 | 1.70 | -0.326 | 8.24 | 7.11 | 8.81 |
LiCl?KCl | 4∶1 | 2.29 | -0.492 | 11.90 | 11.58 | 12.34 |
LiCl?KCl | 4∶1 | 2.88 | -0.719 | 19.43 | 17.92 | 16.24 |
LiCl?KCl | 4∶1 | 3.48 | -0.868 | 28.16 | 22.20 | 20.52 |
LiCl?KCl | 4∶1 | 4.09 | -1.034 | 26.05 | 27.08 | 25.23 |
LiCl?KCl | 4∶1 | 4.71 | -1.226 | 30.80 | 32.89 | 30.38 |
LiCl?NaCl | 1∶4 | 1.12 | -0.274 | 7.43 | 5.43 | 5.42 |
LiCl?NaCl | 1∶4 | 1.69 | -0.513 | 14.15 | 10.34 | 8.38 |
LiCl?NaCl | 1∶4 | 2.27 | -0.583 | 16.73 | 11.84 | 11.57 |
LiCl?NaCl | 1∶4 | 2.86 | -0.689 | 19.53 | 14.22 | 15.01 |
LiCl?NaCl | 1∶4 | 3.45 | -0.950 | 28.48 | 20.40 | 18.75 |
LiCl?NaCl | 1∶4 | 4.06 | -1.027 | 31.16 | 22.34 | 22.77 |
LiCl?NaCl | 1∶4 | 4.66 | -1.338 | 39.75 | 30.57 | 27.13 |
LiCl?NaCl | 2∶3 | 1.12 | -0.261 | 11.24 | 5.32 | 5.52 |
Solution | r | Molality/ (mol?kg-1) | Membrane energy/(kJ?mol-1) | Pressure from FS method/MPa | Pressure from MEF method/MPa | Referenced pressure[44―46]/MPa |
LiCl?NaCl | 2∶3 | 1.69 | -0.502 | 14.38 | 10.76 | 8.61 |
LiCl?NaCl | 2∶3 | 2.27 | -0.604 | 18.93 | 13.18 | 12.00 |
LiCl?NaCl | 2∶3 | 2.86 | -0.686 | 20.43 | 15.15 | 15.66 |
LiCl?NaCl | 2∶3 | 3.46 | -0.812 | 28.41 | 18.25 | 19.67 |
LiCl?NaCl | 2∶3 | 4.06 | -1.022 | 29.51 | 23.64 | 24.07 |
LiCl?NaCl | 2∶3 | 4.67 | -1.200 | 30.19 | 28.38 | 28.85 |
LiCl?NaCl | 3∶2 | 1.12 | -0.296 | 11.00 | 6.29 | 5.62 |
LiCl?NaCl | 3∶2 | 1.70 | -0.494 | 15.00 | 11.24 | 8.82 |
LiCl?NaCl | 3∶2 | 2.28 | -0.476 | 12.19 | 10.78 | 12.37 |
LiCl?NaCl | 3∶2 | 2.86 | -0.678 | 21.28 | 15.95 | 16.30 |
LiCl?NaCl | 3∶2 | 3.46 | -0.869 | 26.12 | 20.97 | 20.61 |
LiCl?NaCl | 3∶2 | 4.07 | -1.119 | 31.95 | 27.70 | 25.36 |
LiCl?NaCl | 3∶2 | 4.68 | -1.215 | 35.19 | 30.36 | 30.56 |
LiCl?NaCl | 4∶1 | 1.13 | -0.224 | 7.82 | 4.55 | 5.71 |
LiCl?NaCl | 4∶1 | 1.70 | -0.409 | 10.65 | 9.57 | 9.03 |
LiCl?NaCl | 4∶1 | 2.28 | -0.440 | 12.07 | 10.41 | 12.75 |
LiCl?NaCl | 4∶1 | 2.87 | -0.935 | 25.25 | 24.07 | 16.90 |
LiCl?NaCl | 4∶1 | 3.47 | -0.860 | 25.68 | 21.98 | 21.49 |
LiCl?NaCl | 4∶1 | 4.07 | -1.018 | 24.98 | 26.40 | 26.60 |
LiCl?NaCl | 4∶1 | 4.69 | -1.084 | 31.94 | 28.22 | 32.23 |
NaCl?KCl | 1∶4 | 1.12 | -0.282 | 9.00 | 4.66 | 5.10 |
NaCl?KCl | 1∶4 | 1.69 | -0.505 | 17.10 | 8.46 | 7.70 |
NaCl?KCl | 1∶4 | 2.28 | -0.478 | 14.66 | 7.94 | 10.36 |
NaCl?KCl | 1∶4 | 2.86 | -0.662 | 21.18 | 11.81 | 13.12 |
NaCl?KCl | 1∶4 | 3.46 | -0.777 | 24.48 | 14.64 | 15.96 |
NaCl?KCl | 1∶4 | 4.06 | -1.145 | 34.74 | 25.73 | 18.95 |
NaCl?KCl | 1∶4 | 4.68 | -1.249 | 37.30 | 29.42 | 22.01 |
NaCl?KCl | 2∶3 | 1.13 | -0.263 | 10.25 | 4.57 | 5.13 |
NaCl?KCl | 2∶3 | 1.70 | -0.542 | 16.49 | 9.44 | 7.76 |
NaCl?KCl | 2∶3 | 2.28 | -0.568 | 16.18 | 9.99 | 10.48 |
NaCl?KCl | 2∶3 | 2.87 | -0.750 | 23.77 | 14.08 | 13.30 |
NaCl?KCl | 2∶3 | 3.47 | -0.829 | 26.98 | 16.06 | 16.23 |
NaCl?KCl | 2∶3 | 4.08 | -0.923 | 29.60 | 18.61 | 19.30 |
NaCl?KCl | 2∶3 | 4.71 | -1.160 | 34.48 | 25.73 | 22.48 |
NaCl?KCl | 3∶2 | 1.13 | -0.284 | 7.54 | 5.07 | 5.18 |
NaCl?KCl | 3∶2 | 1.70 | -0.481 | 14.36 | 8.50 | 7.85 |
NaCl?KCl | 3∶2 | 2.29 | -0.568 | 16.58 | 10.23 | 10.63 |
NaCl?KCl | 3∶2 | 2.88 | -0.799 | 23.79 | 15.39 | 13.54 |
NaCl?KCl | 3∶2 | 3.49 | -0.866 | 25.25 | 17.06 | 16.58 |
NaCl?KCl | 3∶2 | 4.08 | -0.981 | 29.55 | 20.09 | 19.76 |
NaCl?KCl | 3∶2 | 4.73 | -1.154 | 34.85 | 25.06 | 23.15 |
NaCl?KCl | 4∶1 | 1.13 | -0.308 | 7.74 | 5.65 | 5.22 |
NaCl?KCl | 4∶1 | 1.70 | -0.392 | 13.18 | 7.11 | 7.95 |
NaCl?KCl | 4∶1 | 2.29 | -0.572 | 15.97 | 10.55 | 10.82 |
NaCl?KCl | 4∶1 | 2.89 | -0.684 | 17.87 | 12.90 | 13.82 |
NaCl?KCl | 4∶1 | 3.49 | -0.806 | 21.23 | 15.66 | 17.03 |
NaCl?KCl | 4∶1 | 4.12 | -0.897 | 28.55 | 17.84 | 20.39 |
NaCl?KCl | 4∶1 | 4.76 | -1.001 | 30.74 | 20.45 | 23.97 |
LiCl?NaCl?KCl | 1∶1∶2 | 0.90 | -0.282 | 9.00 | 5.17 | 4.39 |
LiCl?NaCl?KCl | 1∶1∶2 | 1.36 | -0.332 | 8.97 | 6.12 | 6.75 |
Solution | r | Molality/ (mol?kg-1) | Membrane energy/(kJ?mol-1) | Pressure from FS method/MPa | Pressure from MEF method/MPa | Referenced pressure[44―46]/MPa |
LiCl?NaCl?KCl | 1∶1∶2 | 1.82 | -0.455 | 11.78 | 8.61 | 9.21 |
LiCl?NaCl?KCl | 1∶1∶2 | 2.29 | -0.561 | 15.12 | 10.94 | 11.78 |
LiCl?NaCl?KCl | 1∶1∶2 | 2.76 | -0.709 | 20.41 | 14.50 | 14.42 |
LiCl?NaCl?KCl | 1∶1∶2 | 3.24 | -0.813 | 25.55 | 17.18 | 17.14 |
LiCl?NaCl?KCl | 1∶1∶2 | 3.73 | -0.909 | 26.39 | 19.84 | 19.96 |
LiCl?NaCl?KCl | 1∶1∶2 | 4.22 | -0.894 | 30.80 | 19.42 | 22.87 |
LiCl?NaCl?KCl | 1∶1∶2 | 4.73 | -1.202 | 32.89 | 28.77 | 25.85 |
LiCl?NaCl?KCl | 1∶2∶1 | 0.90 | -0.260 | 9.95 | 4.97 | 4.43 |
LiCl?NaCl?KCl | 1∶2∶1 | 1.35 | -0.307 | 8.22 | 5.89 | 6.83 |
LiCl?NaCl?KCl | 1∶2∶1 | 1.81 | -0.389 | 12.59 | 7.53 | 9.36 |
LiCl?NaCl?KCl | 1∶2∶1 | 2.28 | -0.643 | 17.73 | 13.13 | 12.00 |
LiCl?NaCl?KCl | 1∶2∶1 | 2.75 | -0.693 | 23.24 | 14.32 | 14.75 |
LiCl?NaCl?KCl | 1∶2∶1 | 3.23 | -0.859 | 26.71 | 18.47 | 17.58 |
LiCl?NaCl?KCl | 1∶2∶1 | 3.71 | -0.957 | 26.29 | 21.07 | 20.55 |
LiCl?NaCl?KCl | 1∶2∶1 | 4.21 | -0.952 | 28.65 | 20.92 | 23.59 |
LiCl?NaCl?KCl | 1∶2∶1 | 4.70 | -1.191 | 31.36 | 27.68 | 26.77 |
LiCl?NaCl?KCl | 2∶1∶1 | 0.90 | -0.246 | 7.44 | 4.82 | 4.51 |
LiCl?NaCl?KCl | 2∶1∶1 | 1.35 | -0.330 | 10.92 | 6.71 | 7.01 |
LiCl?NaCl?KCl | 2∶1∶1 | 1.82 | -0.360 | 11.20 | 7.40 | 9.66 |
LiCl?NaCl?KCl | 2∶1∶1 | 2.28 | -0.654 | 18.29 | 14.59 | 12.47 |
LiCl?NaCl?KCl | 2∶1∶1 | 2.76 | -0.708 | 22.02 | 15.98 | 15.42 |
LiCl?NaCl?KCl | 2∶1∶1 | 3.23 | -0.977 | 29.43 | 23.35 | 18.53 |
LiCl?NaCl?KCl | 2∶1∶1 | 3.72 | -0.851 | 24.05 | 19.82 | 21.78 |
LiCl?NaCl?KCl | 2∶1∶1 | 4.21 | -0.883 | 23.87 | 20.70 | 25.18 |
LiCl?NaCl?KCl | 2∶1∶1 | 4.72 | -1.090 | 28.52 | 26.60 | 28.74 |
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