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国家自然科学基金(20990234)

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三嵌段共聚物刷在选择性溶剂中自组装形态的研究
<正>我们使用Monte Carlo模拟方法考察了ABA三嵌段共聚物刷在选择性溶剂中的自组装形态及其转变机制。首先我们研究了溶剂对中间的A嵌段具有选择性的情况,此体系的有趣之处在于一方面为了避免疏水的A嵌段和溶剂接触,嵌...
尹玉华徐纪华蒋润李宝会
关键词:自组装
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聚电解质单链构象转变的模拟研究
<正>我们使用副本交换蒙特卡罗模拟算法对无盐溶液中强带电聚电解质单链的热力学性质进行了系统研究。研究结果表明,该单链在降温过程中表现出多种构象形态,并且先后经历产生两次相变。第一次相变对应于反离子凝聚,被确定为连续的相变...
迟鹏王朗李宝会
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Self-assembly of lamella-forming diblock copolymers confined in nanochannels: Effect of confinement geometry被引量:1
2015年
The self-assembly of symmetric diblock copolymers confined in the channels of variously shaped cross sections (regu- lar triangles, squares, and ellipses) is investigated using a simulated annealing technique. In the bulk, the studied symmetric diblock copolymers form a lamellar structure with period LL. The geometry and surface property of the confining channels have a large effect on the self-assembled structures and the orientation of the lamellar structures. Stacked perpendicular lamellae with period LL are observed for neutral surfaces regardless of the channel shape and size, but each lamella is in the shape of the corresponding channel's cross section. In the case of triangle-shaped cross sections, stacked parallel lamel- lae are the majority morphologies for weakly selective surfaces, while morphologies including a triangular-prism-shaped B-cylinder and multiple tridentate lamellae are obtained for strongly selective surfaces. In the cases of square-shaped and ellipse-shaped cross sections, concentric lamellae are the signature morphology for strongly selective surfaces, whereas for weakly selective surfaces, stacked parallel lamellae, and several types of folding lamellae are obtained in the case of square-shaped cross sections, and stacked parallel lamellae are the majority morphologies in the case of ellipse-shaped cross sections when the length of the minor axis is commensurate with the bulk lamellar period. The mean-square end- to-end distance, the average contact number between different species and the surface concentration of the A-monomers are computed to elucidate the mechanisms of the formation of the different morphologies. It is found that the resulting morphology is a consequence of competition among the chain stretching, interfacial energy, and surface energy. Our results suggest that the self-assembled morphology and the orientation of lamellae can be manipulated by the shape, the size, and the surface property of the confining channels.
于彬邓建华王铮李宝会史安昌
关键词:SELF-ASSEMBLY
双溶剂中AB两嵌段共聚物自组装行为的模拟研究
<正>在选择性溶剂环境下,嵌段共聚物可以自组装形成不同的聚集体或胶束结构。这些聚集体结构在诸多领域具有巨大的潜在应用价值,引起人们的广泛研究兴趣。实验表明共溶剂的比例对胶束形貌的形成具有重要影响。我们注意到在已发表的相关...
王铮尹玉华蒋润李宝会
关键词:共聚物自组装
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两亲嵌段共聚物在选择性溶剂中自组装的模拟研究
嵌段共聚物体系最引人注目的特征是通过自组装形成纳米尺度的有序结构。这些结构在许多领域有着重要应用和广阔的应用前景。嵌段共聚物体系的自组装结构主要由单体-单体间的相互作用、嵌段共聚物的组成和嵌段共聚物的分子结构控制。除了这...
李宝会王铮
关键词:嵌段共聚物共溶剂选择性溶剂模拟退火
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