Effect of Chain Configuration on Thermal Conductivity of Polyethylene—A Molecular Dynamic Simulation Study

Xiang Zhang; Yu Wang; Ru Xia; Bin Wu; Peng Chen; Jia-Sheng Qian; Hao-Jun Liang

doi:10.1007/s10118-020-2466-y

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Effect of Chain Configuration on Thermal Conductivity of Polyethylene—A Molecular Dynamic Simulation Study

ARTICLE | Updated：2020-07-30

- Effect of Chain Configuration on Thermal Conductivity of Polyethylene—A Molecular Dynamic Simulation Study
- Effect of Chain Configuration on Thermal Conductivity of Polyethylene—A Molecular Dynamic Simulation Study
- Chinese Journal of Polymer Science 2020年38卷第12期页码：1418-1425
- Affiliations：
  
  a.Anhui Province Key Laboratory of Environment-friendly Polymer Materials, School of Chemistry and Chemical Engineering, Anhui University, Hefei 230601, China
  b.Department of Polymer Science and Technology, University of Science and Technology of China, Hefei 230011, China
- Author bio：
  
  chenpeng@ahu.edu.cn (P.C.)
  qianjsh@ahu.edu.cn (J.S.Q.)
- Funds：
  
  This work was financially supported by the National Key R&D Program of China (No. 2017YFB0406204), the National Natural Science Foundation of China (No. 51973002), and University Institution of High Performance Rubber Materials of Anhui Province.
- DOI：10.1007/s10118-020-2466-y
  中图分类号：
- 收稿：2020-04-19，
  
  修回：2020-6-1，
  
  录用：2020-6-4，
  
  网络首发：2020-07-30，
  
  纸质出版：2020-09-10
- Accepted：
Scan QR Code
Zhang, X.; Wang, Y.; Xia, R.; Wu, B.; Chen, P.; Qian, J. S.; Liang, H. J. Effect of chain configuration on thermal conductivity of polyethylene—a molecular dynamic simulation study. Chinese J. Polym. Sci. 2020, 38, 1418–1425

Xiang Zhang, Yu Wang, Ru Xia, et al. Effect of Chain Configuration on Thermal Conductivity of Polyethylene—A Molecular Dynamic Simulation Study[J]. Chinese Journal of Polymer Science, 2020, 38(12): 1418-1425.
Zhang, X.; Wang, Y.; Xia, R.; Wu, B.; Chen, P.; Qian, J. S.; Liang, H. J. Effect of chain configuration on thermal conductivity of polyethylene—a molecular dynamic simulation study. Chinese J. Polym. Sci. 2020, 38, 1418–1425 DOI： 10.1007/s10118-020-2466-y.

Xiang Zhang, Yu Wang, Ru Xia, et al. Effect of Chain Configuration on Thermal Conductivity of Polyethylene—A Molecular Dynamic Simulation Study[J]. Chinese Journal of Polymer Science, 2020, 38(12): 1418-1425. DOI： 10.1007/s10118-020-2466-y.

摘要

Abstract

Stretched polyethylene (PE) fibers are found to have super high thermal conductivity

while the bulk of polyethylene is usually thermal insulating even for those with high crystalline degree. A molecular dynamic simulation is deliberately carried out to examine the relationship between chain configuration and thermal conductivity of polyethylene. In this simulation study

independent and interacting PE chains being stretched are compared with the aim to find out the effect of stretching on thermal conductivity of PE. Various crystallization conditions for PE bulk are considered. It is found that heat transports predominately along the covalent chain rather than across chains in PE crystals. Our simulation study helps to understand experimental findings on thermal conductivity of PE at different states. We also predict that amorphous PE may be super thermally conductive if chains are strictly stretched along heat flux.

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references

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