Self‐assembly of nanorod/nanoparticle mixtures in polymer brushes |
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Authors: | Dong Zhang Yankang Jin Jun Cheng Yangwei Jiang Linli He Linxi Zhang |
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Institution: | 1. Department of Physics, Zhejiang University, , Hangzhou, 310027 China;2. Department of Physics, Wenzhou University, , Wenzhou, 325035 China |
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Abstract: | The aggregation behavior and phase separation of nanorod (NR)/nanoparticle (NP) nanoinclusions immersed in semiflexible polymer brushes (PBs) are investigated by using molecular dynamics simulations. A variety of phases are formed by varying the size ratio q = σr/σp, where σr and σp are the diameters of NR and NPs, respectively, and the attractive interactions εM between NR/NP nanoinclusions and PBs. Ordered structures of NRs surrounded by large NPs are observed for the small size ratio q, and a dispersed mixture phase appears for the moderate size ratio q at weak attractive interaction. Meanwhile, the crystallization of NRs occurs at strong attractive interaction for the large size ratio q and a main face‐centered cubic (fcc) structure combined with a small amount of hexagonal‐closed packed (hcp) structure is observed. This investigation can provide some insights into the self‐assembly of complex nanoinclusions and promise a new approach for controlling the self‐assemble behavior of NPs. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2014 , 52, 299–309 |
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Keywords: | self‐assembly simulations nanoparticles phase separation |
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