水含量对氯化1-己基-3-甲基咪唑离子液体微结构影响的分子模拟研究任务书

 2021-10-25 21:38:27

1. 毕业设计(论文)的内容和要求

离子液体现在处于绿色工业创新过程的中心,但离子液体的高粘度限制其工业化开发和实施。

近期实验研究发现在离子液体中加入溶剂,比如水,可有效降低粘度,有望实现商业化。

但其低粘度背后的微观机制尚不清晰,现有实验研究难以获得分子层面的认知。

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2. 参考文献

1. Zhang, S. J.; Sun, J.; Zhang, X. C.; Xin, J. Y.; Miao, Q. Q.; Wang, J. J. Ionic liquid-based green processes for energy production. Chem. Soc. Rev. 2014, 43 (22), 783878692. Zhang, X. P.; Zhang, X. C.; Dong, H. F.; Zhao, Z. J.; Zhang, S. J.; Huang, Y. Carbon capture with ionic liquids: Overview and progress. Energy Environ. Sci. 2012, 5 (5), 666866813. Plechkova, N. V.; Seddon, K. R. Applications of ionic liquids in the chemical industry. Chem. Soc. Rev. 2008, 37 (1), 123150.4. Yu, G. R.; Zhao, D. C.; Wen, L.; Yang, S. D.; Chen, X. C. Viscosity of ionic liquids: Database, observation, and quantitative structureproperty relationship analysis. AIChE J. 2012, 58 (9), 28852899.5. Zhang, X. C.; Huo, F.; Liu, X. M.; Dong, K.; He, H. Y.; Yao, X. Q.; Zhang, S. J. Influence of Microstructure and Interaction on Viscosity of IonicLiquids. Ind. Eng. Chem. Res. 2015, 54, 350535146. L. A. Bischoff, M. Drisch, C. Kerpen, P. T. Hennig, J. Landmann, J. A. P. Sprenger, R. Bertermann, M. Grne, Q. Yuan, J. Warneke, X.-B. Wang, N. V. Ignat'ev, M. Finze, Cyanohydridoborate Anions: Synthesis, Salts, and Low‐Viscosity Ionic Liquids. Chem. Eur. J. 2019, 25, 3560.7. Moosavi, M.; Khashei, F.; Sedghamiz, E.; Molecular dynamics simulation of geminal dicationic ionic liquids [Cn(mim)2][NTf2]2 structural and dynamical properties. Phys. Chem. Chem. Phys., 2018,20, 435-4488. Bernardino, K.; Lima, T. A.; Ribeiro, M. C.; Low-Temperature Phase Transitions of the Ionic Liquid 1-Ethyl-3-methylimidazolium Dicyanamide. J. Phys. Chem. B 2019, 123, 94189427

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