Molecules p. 20157 - 20169 (2014)
Update date:2022-08-16
Topics:
Dai, Caili
Du, Mingyong
Liu, Yifei
Wang, Shilu
Zhao, Jianhui
Chen, Ang
Peng, Dongxu
Zhao, Mingwei
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 (Λmax) and the minimum area occupied per surfactant molecule (Amin) can be obtained. A series of thermodynamic parameters (ΔG0m, ΔH0m and ΔS0m) 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.
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