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甲基三甲氧基硅烷改性硅溶胶颗粒表面的结合特性及其分子动力学模拟

Binding Properties of Methyltrimethoxysilane-Modified Silica Sol Particle Surfaces and Their Molecular Dynamics Simulations.

作者信息

Pang Hongxing, Wang Zhoufu, Liu Hao, Ma Yan, Wang Xitang, Jiang Pengcheng

机构信息

The State Key Laboratory of Advanced Refractories, Wuhan University of Science and Technology, Wuhan 430081, China.

School of Materials Science and Engineering, Hunan Institute of Technology, Hengyang 421002, China.

出版信息

Materials (Basel). 2025 Jun 23;18(13):2974. doi: 10.3390/ma18132974.

DOI:10.3390/ma18132974
PMID:40649462
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12251467/
Abstract

The surface bonding of silica sol particles modified by methyltrimethoxysilane (MTMS) at different temperatures was investigated. Following modification, MTMS hydrolysis products react with silica hydroxyl groups on the surface of silica particles to create a -Si-O-Si-network structure. Additionally, the hydrolysis products formed hydrogen bonds with the silica hydroxyl groups in the silica sol, which strengthened the bonding strength between the silica particles in a synergistic manner. Increasing the modification temperature accelerated the hydrolysis rate of MTMS, promoted the formation of -Si-O-Si-, and enhanced its binding properties. A silica sol model of grafted MTMS was established using molecular dynamics methods at different modification temperatures to explore the effect of hydrogen bonding on the surface bonding of silica sol particles. Ultimately, it was confirmed experimentally that MTMS modification significantly enhanced the bonding strength on the surface of silica particles in silica sols.

摘要

研究了甲基三甲氧基硅烷(MTMS)在不同温度下对硅溶胶颗粒的表面键合情况。改性后,MTMS水解产物与硅颗粒表面的硅羟基反应形成-Si-O-Si-网络结构。此外,水解产物与硅溶胶中的硅羟基形成氢键,协同增强了硅颗粒之间的键合强度。提高改性温度加快了MTMS的水解速率,促进了-Si-O-Si-的形成,并增强了其结合性能。利用分子动力学方法在不同改性温度下建立了接枝MTMS的硅溶胶模型,以探究氢键对硅溶胶颗粒表面键合的影响。最终,通过实验证实MTMS改性显著提高了硅溶胶中硅颗粒表面的键合强度。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/61f2/12251467/993065eb0938/materials-18-02974-g010.jpg
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