基于碳管阵列空间限制作用的表面活性剂自组装形貌调控与设计

发布时间：2018-01-10 16:18

本文关键词：基于碳管阵列空间限制作用的表面活性剂自组装形貌调控与设计　出处：《中国石油大学(华东)》2015年硕士论文　论文类型：学位论文

【摘要】：表面活性剂分子在水溶液中会发生自组装现象,自发组装成排列有序、形貌丰富的结构,如胶束、液晶相、囊泡等。不同形貌的自组装结构具有不同的性质,也就具有不同的应用价值。因此,定向调控表面活性剂的自组装行为,以获得目标自组装结构,是人们长期以来不懈的追求。然而,目前的自组装研究仍处在比较初级的阶段,机理认识薄弱、调控能力有限、组装形貌简单。基于此现状,本论文采用粗粒化分子动力学模拟的方法,借助碳纳米管的空间限制作用,对表面活性剂自组装形貌的调控与设计进行了探索性的研究。通过对受限空间与非受限空间中自组装形貌的对比分析,我们归纳出了受限空间中表面活性剂自组装行为的“相态不变规则”,即非受限空间中自组装相态的基本特征不会被空间限制作用所改变。在50 wt%浓度下,通过改变受限空间的尺寸和形状,我们得到了棒状胶束、双螺旋结构、六角束、“钻头”结构,这些结构均维持着非受限空间中蠕虫状胶束的基本特征,为蠕虫状胶束的变体。在70 wt%浓度下,受限空间的自组装结构维持着非受限空间中层状相的基本特征,为层状相的变体。在对层状相的调控中,我们发现了“逐层自组装现象”,即在受限空间内部,表面活性剂双分子层由外到内、逐层组装成完整结构的过程。在“逐层自组装现象”的启发下,我们发展了调控自组装的方法,对层状相的变体进行了调控和设计,得到了多形性的自组装纳米管和纳米卷。在本论文中,我们发展了自组装的理论,首次提出了“相态不变规则”和“逐层自组装现象”,深化了对自组装的认识,使自组装调控变得有章可循;并且,我们获得了大量新颖的表面活性剂自组装结构,有望在纳米材料的制备中发挥重要作用;此外,本论文发展了自组装定向调控与设计的方法,可为该领域的后续研究提供参考。
[Abstract]:Self-assembly of surfactant molecules occurs in aqueous solution, and self-assembly occurs in aqueous solution. The self-assembled structures with different morphology have different properties, such as micelles, liquid crystal phases, vesicles and so on. Therefore, it is a long-term pursuit to regulate the self-assembly behavior of surfactants in order to obtain the target self-assembly structure. At present, the self-assembly research is still in the primary stage, the mechanism understanding is weak, the control ability is limited, and the assembly morphology is simple. Based on this situation, this paper adopts the method of coarse-grained molecular dynamics simulation. With the help of the space limitation of carbon nanotubes, the regulation and design of self-assembly morphology of surfactants were studied, and the comparative analysis of self-assembly morphology in confined space and in unconfined space was carried out. We conclude the "phase invariant rule" for the self-assembly behavior of surfactants in confined space. That is, the basic characteristics of self-assembled phase states in unconfined space will not be changed by space restriction. At the concentration of 50 wt%, the rod-like micelles are obtained by changing the size and shape of the confined space. The double helix structure, hexagonal bundle, "bit" structure, which maintain the basic characteristics of the wormlike micelles in the unrestricted space, are variants of the wormlike micelles. At the concentration of 70 wt%. The self-assembly structure in the confined space maintains the basic characteristics of the layered phase in the unconfined space and is a variation of the layered phase. In the regulation of the layered phase, we have found the phenomenon of "self-assembly layer by layer", that is, the phenomenon of self-assembly in the confined space. From outside to inside, the surfactant bilayer is assembled into a complete structure layer by layer. Inspired by the phenomenon of "self-assembly by layer", we have developed a method to regulate self-assembly. The multiform self-assembled nanotubes and nanocrystals were obtained by controlling and designing the variations of layered phase. In this thesis, we developed the theory of self-assembly. For the first time, the "phase invariant rule" and "layer by layer self-assembly phenomenon" are proposed, which deepens the understanding of self-assembly and makes self-assembly regulation and control to be rule-based. Moreover, we have obtained a large number of novel surfactant self-assembly structure, which is expected to play an important role in the preparation of nanomaterials. In addition, the method of self-assembly directional regulation and design has been developed in this paper, which can be used as a reference for further research in this field.
【学位授予单位】：中国石油大学(华东)
【学位级别】：硕士
【学位授予年份】：2015
【分类号】：TB383.1;O647.2

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