Aggregation Behavior of Long-Chain Piperidinium Ionic Liquids in Ethylammonium Nitrate

被引:11
|
作者
Dai, Caili [1 ]
Du, Mingyong [1 ]
Liu, Yifei [1 ]
Wang, Shilu [1 ]
Zhao, Jianhui [1 ]
Chen, Ang [1 ]
Peng, Dongxu [1 ]
Zhao, Mingwei [1 ]
机构
[1] China Univ Petr Huadong, Sch Petr Engn, State Key Lab Heavy Oil Proc, Qingdao 266580, Shandong, Peoples R China
来源
MOLECULES | 2014年 / 19卷 / 12期
基金
中国国家自然科学基金; 中国博士后科学基金;
关键词
aggregation behavior; long-chain piperidinium ionic liquid; surface tension; dissipative particle dynamics; N-METHYLPYRROLIDINIUM BROMIDE; MICELLE FORMATION; CRYSTALLINE PHASES; SELF-AGGREGATION; FUSED SALT; PYRIDINIUM; IMIDAZOLIUM; SURFACTANTS; CATALYSIS; DYNAMICS;
D O I
10.3390/molecules191220157
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
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 (Pi(cmc)), the maximum excess surface concentration (Gamma(max)) and the minimum area occupied per surfactant molecule (A(min)) can be obtained. A series of thermodynamic parameters (Delta G(m)(0), Delta H-m(0) and Delta S-m(0)) 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.
引用
收藏
页码:20157 / 20169
页数:13
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