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Theoretical Interpretation of Conformation Variations of Polydimethylsiloxane Induced by Nanoparticles

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Abstract

There has been controversy as to whether the addition of nanoparticles to a polymer melt causes perturbed chain structure of polymers. In this work, the chain conformations of polydimethylsiloxane (PDMS) with addition of polyhedral oligomeric silsesquioxane (POSS) nanoparticles have been studied using a classical density functional approach. Under the strong interactions of POSS-PDMS, the radius of gyration of PDMS in the nanocomposites can either increase or decline depending on particle loading. After adding nanoparticles with larger size or weaker interactions, both the increasing and the declining amplitudes can be largely suppressed. The results provide a deep understanding of chain conformation in polymer nanocomposites.

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Acknowledgments

The financial supports from the National Basic Research Program of China (No. 2015CB654700 (2015CB674704)) and the National Natural Science Foundation of China (Nos. 21476007, 51525301 and 51521062) are gratefully acknowledged. We also express our sincere thanks to the CHEMCLOUDCOMPUTING of Beijing University of Chemical Technology.

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Authors and Affiliations

  1. State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, Beijing, 100029, China

    Zhao-Yang Wei, Nan-Ying Ning, Ming Tian, Li-Qun Zhang & Jian-Guo Mi

  2. Beijing Advanced Innovation Center for Soft Matter Science and Engineering, Beijing University of Chemical Technology, Beijing, 100029, China

    Zhao-Yang Wei, Nan-Ying Ning, Ming Tian & Li-Qun Zhang

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  1. Zhao-Yang Wei
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  2. Nan-Ying Ning
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Correspondence to Ming Tian or Jian-Guo Mi.

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Wei, ZY., Ning, NY., Tian, M. et al. Theoretical Interpretation of Conformation Variations of Polydimethylsiloxane Induced by Nanoparticles. Chin J Polym Sci 36, 505–513 (2018). https://doi.org/10.1007/s10118-018-2019-9

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