长链哌啶鎓离子液体在硝酸乙铵中的聚集行为。
Aggregation behavior of long-chain piperidinium ionic liquids in ethylammonium nitrate.
作者信息
Dai Caili, Du Mingyong, Liu Yifei, Wang Shilu, Zhao Jianhui, Chen Ang, Peng Dongxu, Zhao Mingwei
机构信息
State Key Laboratory of Heavy Oil Processing, School of Petroleum Engineering, China University of Petroleum (Huadong), Qingdao 266580, Shandong, China.
出版信息
Molecules. 2014 Dec 2;19(12):20157-69. doi: 10.3390/molecules191220157.
Micelles formed by the long-chain piperidinium ionic liquids (ILs) N-alkyl-N-methylpiperidinium bromide of general formula CnPDB (n = 12, 14, 16) in ethylammonium nitrate (EAN) were investigated through surface tension and dissipative particle dynamics (DPD) simulations. Through surface tension measurements, the critical micelle concentration (cmc), the effectiveness of surface tension reduction (Πcmc), the maximum excess surface concentration (Гmax) and the minimum area occupied per surfactant molecule (Amin) can be obtained. A series of thermodynamic parameters (DG0 m, DH0 m and DS0 m) of micellization can be calculated and the results showed that the micellization was entropy-driven. In addition, the DPD simulation was performed to simulate the whole aggregation process behavior to better reveal the micelle formation process.
通过表面张力和耗散粒子动力学（DPD）模拟研究了通式为CnPDB（n = 12、14、16）的长链哌啶鎓离子液体（ILs）N-烷基-N-甲基哌啶鎓溴化物在硝酸乙铵（EAN）中形成的胶束。通过表面张力测量，可以获得临界胶束浓度（cmc）、表面张力降低效率（Πcmc）、最大过量表面浓度（Гmax）和每个表面活性剂分子占据的最小面积（Amin）。可以计算一系列胶束化的热力学参数（DG0 m、DH0 m和DS0 m），结果表明胶束化是由熵驱动的。此外，进行了DPD模拟以模拟整个聚集过程行为，以更好地揭示胶束形成过程。
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