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Amphiphilic Multiblock Copolymers: From Intramolecular Pearl Necklace to Layered Structures

机译:两亲性多嵌段共聚物:从分子内珍珠项链到层状结构

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We report on three-dimensional Monte Carlo simulations of dilute solutions of multiblock copolymers made of regularly spaced hydrophobic and hydrophilic blocks in the limit of long chains with a large number of blocks. Using a lattice model we investigate the effects of the ratio of hydrophobic to hydrophilic block lengths and impact of the quality of the solvent on the intramolecular structure of the copolymers. In poor solvent and for given block lengths the simulations show evidence for the existence of different kinds of intramolecular self-assemblies depending on solvent quality: Micelles, chains of micelles, tubes, and layered structures are revealed by both statistical properties and visualization. The form factor signature of the different structures has been identified and is discussed in connection with its experimental observability. The existence region of the different conformations in terms of energy and entropy is summarized in a phase diagram.
机译:我们报告了在长链的限制下,由大量嵌段组成的规则排列的疏水和亲水嵌段组成的多嵌段共聚物的稀溶液的三维蒙特卡罗模拟。使用晶格模型,我们研究了疏水性与亲水性嵌段长度之比的影响以及溶剂质量对共聚物分子内结构的影响。在不良溶剂和给定的嵌段长度下,模拟显示了根据溶剂质量存在不同种类的分子内自组装的证据:胶束,胶束链,管和层状结构均通过统计性质和可视化方式揭示。已经确定了不同结构的形状特征签名,并结合其实验可观察性进行了讨论。相图总结了能量和熵方面不同构象的存在区域。

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