The influence of hydrogen bond and electrostatic interaction on the mechanical properties of the WPU/modified SiO2 nanocomposites
2022
Ma, Jianzhong | Liu, Chenyang | Zhang, Yuehong | Dong, Yufei | Liu, Chao | Ma, Zhonglei
A variety of nano SiO₂ microspheres with negative charge or positive charge were prepared by hydrochloric acid treatment or/and γ-mercaptopropyltrimethoxysilane modification respectively. The obtained modified SiO₂ with different content of -OH or -SH and different charges were physically introduced into water-borne polyurethane (WPU) dispersion to fabricate the WPU/modified SiO₂ nanocomposites with interfacial interaction of hydrogen bond and electrostatic interaction. The influence of interfacial interaction (hydrogen bond and electrostatic interaction) between WPU and modified SiO₂ on the interface structure and mechanical properties of the WPU/modified SiO₂ nanocomposites were investigated. The results showed that when both hydrogen bond and electrostatic interaction were present between WPU and modified SiO₂, the microstructure and the tensile strength of the WPU/modified SiO₂ nanocomposite were mainly affected by the electrostatic interaction, while the elongation at break was mainly affected by the hydrogen bond interaction. Overall, a methodology of the combination of molecular dynamics simulation and experiment study was established to reveal the influence of surface characteristic of SiO₂ on the interface interaction and mechanical properties of the WPU/modified SiO₂ nanocomposites.
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