摘要
采用粗粒度分子动力学模拟方法研究了温度与压力对聚氨酯弹性体黏弹性的影响.结果显示,随着温度的上升,聚氨酯储能模量、损耗模量逐渐下降,而损耗因子逐渐上升.而压力对聚氨酯黏弹性的影响与温度正好相反,且损耗因子与压力几乎无关.随后采用相互作用能,相有序度参数和尺寸,约化相互作用能以及热交换能来揭示聚氨酯黏弹性的微观机理.在剪切过程中,相结构主要发生了变形,进而产生了更多的界面.同时随着温度上升或者压力下降,硬相和软相珠子间滑移变得容易,进而导致耗散能量逐渐下降.
In this work,the effect of temperature and pressure on the viscoelasticity of the polyurethane elastomers is investigated via a coarse-grained molecular dynamics simulation.It is found that the storage modulus and loss modulus of polyurethane gradually decrease with the increase of temperature while the loss factor rises.The effect of pressure on the viscoelastic properties of polyurethane is opposite to that of temperature.Moreover,the loss factor of polyurethane is nearly independent of pressure.Then,the interaction energy,the order parameter and size of phases,the reduced interaction energy and heat exchange energy are calculated to understand the microscopic mechanism of the polyurethane viscoelasticity.The results show that the phase structures are mainly deformed during the shearing process,which produces more interfaces.In addition,the slippage between hard phase and soft phase beads becomes easier at a higher temperature or a lower pressure,which gradually reduces the dissipated energy.
作者
程伟
王佰海
王雯霏
王兵
赵秀英
高洋洋
Wei Cheng;Bai-hai Wang;Wen-fei Wang;Bing Wang;Xiu-ying Zhao;Yang-yang Gao(Luoyang Ship Material Research Institute,Luoyang 471023;Key Laboratory of Beijing City on Preparation and Processing of Novel Polymer Materials,Beijing University of Chemical Technology,Beijing 100029)
出处
《高分子学报》
SCIE
CAS
CSCD
北大核心
2023年第3期398-408,共11页
Acta Polymerica Sinica
关键词
聚氨酯
温度
压力
黏弹性
分子动力学模拟
Polyurethane
Temperature
Pressure
Viscoelasticity
Molecular dynamics simulation
