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选择性溶剂中胶束结构的耗散粒子动力学研究

作　者: Jenny Cheng Oi Lee（曾爱丽）
导　师: 仲崇立
学　校: 北京化工大学
专　业: 化学工程
关键词: 嵌段共聚物自组装梳形共聚物耗散粒子动力学亲水性疏水性
分类号: O631.3
类　型: 硕士论文
年　份: 2008年
下　载: 105次
引　用: 1次
阅　读: 论文下载

内容摘要

本文采用耗散粒子动力学的方法模拟了两性梳形共聚物在溶液中的自组装过程。文章选择两种比较常见的梳形共聚物结构,分别是疏水主链—亲水侧链和亲水主链—疏水侧链。通过改变主链长度、侧链长度和侧链数对两种共聚物自组装结构特性进行分析。通过不断的改变模拟参数,我们得到很多稳定的共聚物自组装结构。包括球形、柱形胶束结构,环形、扁平状、长条形胶囊结构,以及类海马状、梯形、骨形、蝴蝶状、K形、Y形等特殊胶束结构。其中大部分结构已被实验观测证实存在,同时我们模拟厨实验中还没有发现的一些特殊结构。本文为充分了解梳形共聚物在溶液中的自组装过程提供了有用的信息,有助于更加全面地理解梳形共聚物的形貌和性质,进一步促进了它在各领域的应用。

全文目录

摘要  4-6
ABSTRACT  6-13
Chapter 1 Introduction  13-35
  1.1 Introduction  13-15
  1.2 Brief introduction to copolymers and block copolymers  15-19
    1.2.1 Self-assembly of block copolymer melts  17-18
    1.2.2 Self-assembly of block copolymer in solutions  18-19
  1.3 Brief introduction of block copolymer micelles  19-25
    1.3.1 Preparation of block copolymer micelles  21-22
    1.3.2 Characterization of block copolymer micelles  22-25
    1.3.3 Application of block copolymer micelles  25
  1.4 Applications of theories and computer simulations in micellar systems  25-34
    1.4.1 Scaling model  26-28
    1.4.2 The self-consistent mean field theory  28-29
    1.4.3 Monte Carlo simulation  29-30
    1.4.4 Molecular Dynamics simulation  30-32
    1.4.5 Dissipative Particle Dynamics  32-34
  1.5 Outline of this study  34-35
Chapter 2 Dissipative Particle Dynamics Method  35-43
  2.1 Introduction  35-36
  2.2 Theoretic fundamentals of dissipative particle dynamics  36-39
  2.3 Parameterization and relation to Flory-Huggins Theory  39-42
  2.4 Conclusions  42-43
Chapter 3 Simulations Study to Model Novel Micellar Architectures by Amphiphilic Comb-like Copolymers with Hydrophobic Backbone in Selective Solvent  43-66
  3.1 Introduction  43-45
  3.2 Simulation method and details  45-47
  3.3 Results and discussions  47-65
    3.3.1 Effects of the backbone length  47-58
    3.3.2 Effects of the side chain lengths  58-61
    3.3.3 Effects of the number of grafted points  61-65
  3.4 Conclusions  65-66
Chapter 4 Simulations Study to Model Novel Micellar Architectures by Amphiphilic Comb-like Copolymers with Hydrophilic Backbone in Selective Solvent  66-88
  4.1 Introduction  66-67
  4.2 Simulation method and details  67-69
  4.3 Results and discussions  69-87
    4.3.1 Effects of the backbone lengths  69-82
    4.3.2 Effects of the side chain lengths  82-84
    4.3.3 Effects of the number of grafted points  84-87
  4.4 Conclusions  87-88
Chapter 5 Conclusions  88-91
References  91-107
Acknowledgements  107-109
附件  109-110

选择性溶剂中胶束结构的耗散粒子动力学研究

内容摘要

全文目录

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