Thermodynamic behavior of particle/diblock copolymer mixtures: Simulation and theory
Thermodynamic behavior of particle/diblock copolymer mixtures: Simulation and theory
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DOI：
10.1021/ma000708y
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发表时间：
2000-10-17
期刊：
影响因子：
5.5
通讯作者：
Balazs, AC
中科院分区：
文献类型：
--
作者：
Huh, J;Ginzburg, VV;Balazs, AC
研究了硬纳米粒子对嵌段共聚物相行为的影响。使用Monte Carlo模拟，我们得到的纳米粒子的尺寸和浓度的函数的相图。当纳米颗粒的尺寸变得与少数（A）嵌段的回转半径相当时，我们观察到新的超结构的形成，其中颗粒在共聚物胶束内自组装。我们开发了一个理论模型，基于强偏析极限近似，并表明这些自组装结构可以是稳定的或亚稳定的，这取决于颗粒的尺寸和体积分数。这种相的形成是由于颗粒-颗粒排斥体积相互作用、优先颗粒/嵌段-A相互作用以及二嵌段内的双折射和拉伸相互作用之间的相互作用。
We investigate the influence of hard nanoparticles on the phase behavior of diblock copolymers. Using Monte Carlo simulations, we obtain phase diagrams as a function of the nanoparticle size and concentration. When the size of the nanoparticles becomes comparable to the radius of gyration of the minority (A) block, we observe the formation of new superstructures, where the particles self-assemble inside the copolymer micelles. We develop a theoretical model, based on the strong segregation limit approximation, and show that these self-assembled structures can be either stable or metastable, depending on the particle size and volume fraction. The formation of such phases is due to the interplay between the particle-particle excluded-volume interactions, preferential particle/block-A interactions, and the enthalpic and stretching interactions within the diblock.