高等学校化学学报 ›› 2022, Vol. 43 ›› Issue (3): 20210727.doi: 10.7503/cjcu20210727
陈瀚翔1,2,3, 边绍菊1,2, 胡斌1,2(), 李武1,2
收稿日期:
2021-10-19
出版日期:
2022-03-10
发布日期:
2022-01-07
通讯作者:
胡斌
E-mail:hubin@isl.ac.cn
基金资助:
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:
摘要:
盐湖卤水中含有大量的锂、 钾资源, 发展卤水的渗透压预测模型和方法, 对于资源的综合利用具有重要的指导意义. 本文采用分子动力学(MD)方法结合水溶液渗透压模拟(OPAS)技术, 研究了LiCl-NaCl-KCl-H2O体系的渗透压模拟方法, 计算了298.15 K下体系多种组成和浓度的渗透压, 并将计算结果与实验值和Pitzer模型计算值进行了对比. 结果显示, 模拟计算值与实验值和Pitzer模型计算值渗透压的趋势基本一致, 包括同种溶液不同浓度和同浓度不同溶液之间的渗透压关系. 该方法可以应用于多元混合物体系对渗透压进行定性和半定量的计算.
中图分类号:
TrendMD:
陈瀚翔, 边绍菊, 胡斌, 李武. LiCl-NaCl-KCl-H2O溶液体系渗透压的分子动力学模拟. 高等学校化学学报, 2022, 43(3): 20210727.
CHEN Hanxiang, BIAN Shaoju, HU Bin, LI Wu. Molecular Simulation of the Osmotic Pressures for LiCl-NaCl-KCl-H2O Solution System. 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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