羟基对双子表面活性剂表面活性和流变行为的影响

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• 英文论文题名：Effect of Hydroxyl Group on the Surface Activity and Rheological Behavior Gemini Surfactant
• 论文作者：吴雪鹏 ; 戴彩丽 ; 赵明伟
• 英文论文作者：Wu Xuepeng ; Dai Caili ; Zhao Mingwei ; School of Petroleum Engineering ; China University of Petroleum (East China)
• 年：2016
• 作者机构：中国石油大学(华东)石油工程学院;
• 论文关键词：羟基 ; 16-3OH-16 ; DFT分子轨道
• 会议召开时间：2016-07-01
• 会议录名称：中国化学会第30届学术年会摘要集-第二十四分会：超分子组装与软物质材料
• 语种：中文
• 分类号：O647.2
• 学会代码：ZGHY
• 会议名称：中国化学会第30届学术年会-第二十四分会 ; 超分子组装与软物质材料
• 会议地点：中国辽宁大连
• 主办单位：中国化学会
• 学会名称：中国化学会
• 页数：1
• 文件大小：210k
• 原文格式：D
• 会议级别：全国

摘要

超分子自组装主要是指通过疏水作用、范德华力、氢键作用和静电作用等形成的小分子自组装行为,近年来受到广泛研究。羟基作为一种亲水和给电子基团,将其引入双子表面活性剂的连接基团可明显改变其在溶液中的聚集和流变行为。本文分别通过宏观和微观等表征对两种表面活性剂16-3-16和16-3OH-16进行研究,利用表面张力仪和流变仪对两体系的吸附行为和流变行为进行研究,发现羟基的引入可以明显改变体系的粘弹性。通过分子模拟和密度泛函理论(DFT)分别研究了两个体系的分子间非键作用和分子轨道的变化,结果表明羟基的引入可以明显改变两个正电荷头基间电子云的分布,减弱两个头基间的静电排斥力。
The supramolecular assemblies utilize non-covalent interactions such as hydrophobic interactions, van der Waals, hydrogen bonds and electrostatic interactions have been studied extensively. The hydroxyl group, as a kind of hydrophilic and electron donating group can obviously change the aggregation and rheological behavior of the surfactants in the solution. The adsorption and viscoelastic properties of the micellar solution of 16-3OH-16 and 16-3-16 have been investigated by surface tension and rheological measurements. A notable difference of shear viscosities between two systems was observed. Molecular dynamic simulation and density function theory(DFT) calculation were performed to investigate the non-covalent interactions in the solution and the difference of molecular orbital and electrostatic potential. The results show that more uniform distribution of positive charges around the spacer could result in a more effective electrostatic screening effect between the charged headgroups, and promote the formation of wormlike micelle.

引文

[1]Xia,Y.;Xiong,Y.;Lim,B.;Sara;#x;Dr.,E.S.Angewandte Chemie International Edition 2008,48,(1),60-103.
    [2]Menger,F.M.;Littau,C.A.,J.Am.Chem.Soc 1993,115,10083-10090.