原子与分子物理学报2019，Vol.36Issue(1)：23-28,6.DOI:10.3969/j.issn.1000-0364.2019.01.004
位阻效应对受阻酚杂化体系阻尼机理的影响
The influence of steric effect on the damping mechanism of hindered phenol based hybrid systems
摘要
Abstract
To explore the relationship between structure evolution of hindered phenol and damping mechanism of hybrid systems, three hindered phenol/polymer systems with different hindered degrees were constructed by molecular dynamics simulation in this paper. The number of hydrogen bonding, binding energy, fractional free volume and diffusion coefficient of the hybrid systems were analyzed in theory. The results showed that steric effect has a significant weakening influence on the intramolecular hydrogen bond of hindered phenol, which could reduce the reunion of hindered phenol and thus benefit for the formation of intermolecular hydrogen bond between hindered phenol and polymer. However, high steric resistance could hinder the motion of hindered phenol, which is not benefit for the formation of strong intermolecular hydrogen bond, and thus not benefit for the improvement of damping property. Therefore, in order to prepare hindered phenol based hybrid materials with high damping property, the selection of hindered phenol with moderate hindered degree is one of the key factors.关键词
位阻效应/受阻酚/分子动力学模拟/阻尼机理Key words
Steric effect/Hindered phenol/Molecular dynamics simulation/Damping mechanism分类
化学化工引用本文复制引用
胡乔曼,徐康茗..位阻效应对受阻酚杂化体系阻尼机理的影响[J].原子与分子物理学报,2019,36(1):23-28,6.基金项目
国家自然科学基金青年科学基金 (51703016) （51703016）
重庆文理学院校级项目 (2017YXC49) （2017YXC49）
