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两亲性嵌段共聚物及其接枝纳米粒子在溶液中自组装行为的介观模拟

摘要第5-7页
Abstract第7-9页
Chapter 1 Background and Motivation第13-42页
    1.1 Amphiphiles第13-14页
    1.2 Block Copolymers in Solution第14-30页
        1.2.1 Accessible Morphologies第14-17页
        1.2.2 Packing Parameler and Morphology Transition第17-19页
        1.2.3 Major Theoretical Block Copolymer Systems第19-30页
    1.3 Selective Location of Nanoparticles in Block Copolymer Aggregates in Solution第30-36页
        1.3.1 Rods and Micelles第31-32页
        1.3.2 From Micelles to Vesicles第32-34页
        1.3.3 Major Theoretical Block Copolymer Tethered Nanoparticle Systems第34-36页
    1.4 References第36-42页
Chapter 2 Simulation Models第42-63页
    2.1 Introduction第42-43页
    2.2 Simulatior Models for Polymers第43-51页
        2.2.1 Models with Electronic Degrees of Freedom第43-45页
        2.2.2 Classical Atomistic Models第45-48页
        2.2.3 Coarse-Grained Particle-Based Mesoscale Models第48-50页
        2.2.4 Mesoscopic Field-Theoretic Models第50-51页
    2.3 Why are Coarse-Grained Models Useful?第51-52页
    2.4 Dissipative Particle Dynamics Method第52-60页
        2.4.1 General Simulation Procedure第53-57页
        2.4.2 Several Conceptions in Simulation第57-59页
        2.4.3 SimuIation Caveats第59-60页
    2.5 References第60-63页
Chapter 3 Morphological Transition of Block Copolymer Assemblies:From Micelles toVesicles第63-82页
    3.1 Introduction第64-66页
    3.2 Methods第66页
    3.3 Results and Discussion第66-78页
        3.3.1 Effect of the Hydrophobic Block Length第66-72页
        3.3.2 Effect of the Hydrophobic Bead-Solvent Repulsive Interaction第72-76页
        3.3.3 Effect of the Copolymer Concentration第76-78页
    3.4 Conclusions第78-80页
    3.5 References第80-82页
Chapter 4 Block Copolymer Vesicles and Their Formation Mechanisms第82-96页
    4.1 Introduction第83-86页
    4.2 Methods第86页
    4.3 Results and Discussion第86-93页
        4.3.1 Mechanism Ⅰ第86页
        4.3.2 Mechanism Ⅱ第86-91页
        4.3.3 In-between Mecharism第91-93页
    4.4 Conclusions第93-95页
    4.5 References第95-96页
Chapter 5 Relationship between Wall Thickness and Size in Blook CopolymerVesicles第96-116页
    5.1 Introduction第97-99页
    5.2 Methods第99页
    5.3 Results and Discussion第99-112页
        5.3.1 Relatlonship between Wall Thickness and Size第99-105页
        5.3.2 Chain Compaction第105-106页
        5.3.3 Area Density第106-110页
        5.3.4 Possible Mechanisms for the Thickness Dependence第110-111页
        5.3.5 Bridge/Loop Fractions第111-112页
    5.4 Conclusions第112-114页
    5.5 References第114-116页
Chapter 6 Morphological Transition of Block Copolymer Tethered NanoparticleAssemblies第116-125页
    6.1 Introduction第117页
    6.2 Methods第117-118页
    6.3 Results and Discussion第118-123页
    6.4 Conclusions第123-124页
    6.5 References第124-125页
Publications第125-126页
Acknowledgements第126-129页

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