连接基团与尾链长度对阳离子Gemini表面活性剂与阴离子聚电解质复合物影响的分子动力学模拟

• Published in: 中国化学工程学报（英文版） Vol. 15; no. 4; pp. 560 - 565
• Main Authors: 徐毅, 冯剑, 尚亚卓, 刘洪来
• Format: Journal Article
• Language: Chinese
• Published: State Key Laboratory of Chemical Engineering and Department of Chemistry, East China University of Science and Technology, Shanghai 200237, China%State Key Laboratory of Chemical Engineering and Department of Chemistry, East China University of Science and Technology, Shanghai 200237, China 2007; Department of Chemistry, Chuzhou University, Chuzhou 239012, China
• Subjects: polyelectrolyte; interaction; gemini surfactant; molecular dynamics
• ISSN: 1004-9541

TQ02; Interaction of anionic polyelectrolyte with cationic gemini surfactant has been investigated by coarse-grained molecular dynamics simulation. Polyelectrolyte facilitates the oppositely charged ionic surfactants to aggregate by suppressing the electrostatic repulsion between ionic head groups leading to the formation of micellar complex. With addition of surfactant, the conformation of polyion chain changes from stretched to random coiled to spherical, and at the same time more free micelles are formed by surfactants in mixtures. Increasing the length of spacer or tail chain in gemini surfactant will weaken its interaction with polyelectrolyte and simultaneously strengthen its tendency to self-assemble. The simulation results are consistent with experimental observations and reveal that the electrostatic interaction plays an important role in the interaction of polyelectrolyte with gemini surfactant.