The influence of hydrogen bond and electrostatic interaction on the mechanical properties of the WPU/modified SiO2 nanocomposites

Jianzhong Ma; Chenyang Liu; Yuehong Zhang; Yufei Dong; Chao Liu; Zhonglei Ma

doi:10.1016/j.colsurfa.2022.129364

The influence of hydrogen bond and electrostatic interaction on the mechanical properties of the WPU/modified SiO₂ nanocomposites

Jianzhong Ma, Chenyang Liu, Yuehong Zhang, Yufei Dong, Chao Liu, Zhonglei Ma

School of Chemistry and Chemical Engineering

Research output: Contribution to journal › Article › peer-review

19 Scopus citations

Abstract

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.

Original language	English
Article number	129364
Journal	Colloids and Surfaces A: Physicochemical and Engineering Aspects
Volume	648
DOIs	https://doi.org/10.1016/j.colsurfa.2022.129364
State	Published - 5 Sep 2022

Keywords

Interface interaction
Mechanical properties
Nanocomposite
SiO
WPU

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10.1016/j.colsurfa.2022.129364

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title = "The influence of hydrogen bond and electrostatic interaction on the mechanical properties of the WPU/modified SiO2 nanocomposites",

abstract = "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.",

keywords = "Interface interaction, Mechanical properties, Nanocomposite, SiO, WPU",

author = "Jianzhong Ma and Chenyang Liu and Yuehong Zhang and Yufei Dong and Chao Liu and Zhonglei Ma",

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year = "2022",

month = sep,

day = "5",

doi = "10.1016/j.colsurfa.2022.129364",

language = "英语",

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T1 - The influence of hydrogen bond and electrostatic interaction on the mechanical properties of the WPU/modified SiO2 nanocomposites

AU - Ma, Jianzhong

AU - Liu, Chenyang

AU - Zhang, Yuehong

AU - Dong, Yufei

AU - Liu, Chao

AU - Ma, Zhonglei

PY - 2022/9/5

Y1 - 2022/9/5

N2 - 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.

AB - 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.

KW - Interface interaction

KW - Mechanical properties

KW - Nanocomposite

KW - SiO

KW - WPU

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DO - 10.1016/j.colsurfa.2022.129364

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The influence of hydrogen bond and electrostatic interaction on the mechanical properties of the WPU/modified SiO₂ nanocomposites

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