Effect of nanorods on the mesophase structure of diblock copolymers
Effect of nanorods on the mesophase structure of diblock copolymers
复制标题
纳米棒对二嵌段共聚物中间相结构的影响
DOI：
10.1063/1.3089713
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发表时间：
2009-04-14
影响因子：
4.4
通讯作者：
Liang, Haojun
中科院分区：
文献类型：
--
作者：
He, Linli;Zhang, Linxi;Liang, Haojun
通过耗散粒子动力学模拟系统地研究了对称二嵌段共聚物和刚性纳米棒（NR）的混合物，所述刚性纳米棒优先被嵌段（A）之一润湿。这种复合材料的形态不仅取决于共聚物的特性，而且取决于NR的物理或化学特征，如NR体积分数、尺寸和聚合物-NR相互作用。我们发现，NR的存在影响共聚物的相行为和共聚物的相分离域反过来限制NR的空间分布和位置取向。杂化物的形态和相变以及相应的NR分布和取向的非线性可以基于涉及所有物种、A和B嵌段以及NR的相对热力学和熵效应来合理化。这些结果表明，通过选择适当的参数，我们的模型系统可以提供一个预测控制和设计高性能的复合材料。
Mixtures of symmetric diblock copolymers and rigid nanorods (NRs) that are preferentially wetted by one of the blocks (A) are systematically investigated via dissipative particle dynamics simulations. The morphology of such composites depends not only on the characteristics of the copolymers, but also on the physical or chemical features of the NRs, such as NR volume fraction, size, and polymer-NR interaction. We find that the presence of NRs influences the phase behavior of copolymers and the phase-separated domains of copolymers in turn confine the NRs spatial distribution and positional orientation. The morphologies and phase transitions of hybrids and the corresponding NRs distributed and oriented regularities can be rationalized on the basis of the relative enthalpic and entropic effects involving all of the species, A and B blocks, and NRs. These results suggest that by choosing appropriate parameters, our model systems may provide a prediction to control and design the high-performance composites.