Citation: Zhao-Yang Wei, Nan-Ying Ning, Ming Tian, Li-Qun Zhang, Jian-Guo Mi. Theoretical Interpretation of Conformation Variations of Polydimethylsiloxane Induced by Nanoparticles[J]. Chinese Journal of Polymer Science, ;2018, 36(4): 505-513. doi: 10.1007/s10118-018-2019-9 shu

Theoretical Interpretation of Conformation Variations of Polydimethylsiloxane Induced by Nanoparticles

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

a.
State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029, China
b.
Beijing Advanced Innovation Center for Soft Matter Science and Engineering, Beijing University of Chemical Technology, Beijing 100029, China

Corresponding author: Ming Tian, tianm@mail.buct.edu.cn Jian-Guo Mi, mijg@mail.buct.edu.cn
Received Date: 23 June 2017
Accepted Date: 11 August 2017
Available Online: 30 November 2017

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.
- Chain conformation,
- Radius of gyration,
- Polymer nanocomposites,
- Density functional theory
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