扭转作用对聚乙烯链导热性能的影响

doi:10.11949/j.issn.0438-1157.20170557

化工学报 ›› 2017, Vol. 68 ›› Issue (S1): 60-65.DOI: 10.11949/j.issn.0438-1157.20170557

扭转作用对聚乙烯链导热性能的影响

涂润春, 廖全文, 刘志春, 刘伟

华中科技大学能源与动力工程学院, 湖北武汉 430074

收稿日期:2017-05-04 修回日期:2017-05-10 出版日期:2017-08-31 发布日期:2017-08-31
通讯作者: 刘志春,zcliu@hust.edu.cn
基金资助:
国家自然科学基金项目（51376069）；国家重点基础研究发展计划项目（2013CB228302）。

Impact of torsional function on thermal conductivity of polyethylene chains

TU Runchun, LIAO Quanwen, LIU Zhichun, LIU Wei

School of Energy and Power Engineering, Huazhong University of Science and Technology, Wuhan 430074, Hubei, China

Received:2017-05-04 Revised:2017-05-10 Online:2017-08-31 Published:2017-08-31
Supported by:
supported by the National Natural Science Foundation of China(51376069) and the National Basic Research Program of China (2013CB228302).

摘要/Abstract

摘要：

聚乙烯块体材料是一种绝缘体，其导热性能可以通过掺杂或拉伸等方法提升，纳米尺度下的聚乙烯单链沿长度方向拥有很高的热导率。针对聚乙烯链，通过平衡态分子动力学方法对原始单链、多链、扭转链和拉伸链进行热导率计算。结果显示，单链扭转后其热导率小幅度降低，多链按照特定方式扭转会小幅度增强整体的热导率。此外，多链整体拉伸时热导率会极大地提升。基于上述结果提出一种导热性能更好的扭转拉伸链。研究结果可对多种物理过程作用下聚合物链导热性能的提升工作提供参考。

关键词: 聚乙烯链, 热导率, 分子动力学, 扭转, 热传导, 模型, 数值分析

Abstract:

Bulk polyethylene material is an insulator,whose thermal conductivity could be improved by doping or stretching methods etc,but a single polyethylene chain owns a considerably high thermal conductivity. For polyethylene chains,a detailed calculation is made on the thermal conductivity of original single chain,several chains,torsional chains and stretching chains using equilibrium molecular dynamics methods. Results show that,the thermal conductivity of a single torsional chain decreases slightly,but the thermal conductivity of several chains improves a little when the chains twisted in a particular way. Besides,the thermal conductivity of several chains could achieve a great improvement under stretching loading. Based on above results,a torsional and stretching strand accompanied by better heat-conducting properties is introduced. It has a great significance in guiding the improvement work of the heat conduction of polymer chains under a variety of physical loading.

Key words: polyethylene chain, thermal conductivity, molecular dynamics, torsional, heat conduction, model, numerical analysis

中图分类号:

TQ31

涂润春, 廖全文, 刘志春, 刘伟. 扭转作用对聚乙烯链导热性能的影响[J]. 化工学报, 2017, 68(S1): 60-65.

TU Runchun, LIAO Quanwen, LIU Zhichun, LIU Wei. Impact of torsional function on thermal conductivity of polyethylene chains[J]. CIESC Journal, 2017, 68(S1): 60-65.

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扭转作用对聚乙烯链导热性能的影响

Impact of torsional function on thermal conductivity of polyethylene chains

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