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Molecular-dynamics study on the thermodynamic properties of nano-SiO2 particle-doped silicone rubber composites

Guangzhi Guo,Juning Zhang,Xi Chen,Xuefeng Zhao,Junbo Deng,Guanjun Zhang

Computational Materials Science（2022）

Cited 6|Views5
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Abstract
•MD simulations are employed to nano-SiO2 doped SR composites.•Investigation including structural, dynamic and energetic properties.•Higher doping amounts of nano-SiO2 leads to weaker SR chain motions.•The agglomeration of nano-SiO2 particles lead to larger pore size parameters.
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Key words
Silicone rubber,Nano-SiO2,Molecular dynamics,Agglomeration,Mean square displacement,Free volume,Pore size distribution
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