Enhancing the Thermo-Mechanical Property of Polymer by Weaving and Mixing High Length–Diameter Ratio Filler

Bo Zhang,Zhichun Liu,Yunmin Liang,Biwei Liu,Wei Liu

doi:10.3390/polym12061255

Bo Zhang, Zhichun Liu + Show 3 more

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https://doi.org/10.3390/polym12061255

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Journal: Polymers	Publication Date: May 30, 2020
Citations: 2	License type: CC BY 4.0

Affiliation: Huazhong University of Science and Technology

Abstract

Improving thermo-mechanical characteristics of polymers can efficiently promote their applications in heat exchangers and thermal management. However, a feasible way to enhance the thermo-mechanical property of bulk polymers at low filler content still remains to be explored. Here, we propose mixing high length-diameter ratio filler such as carbon nanotube (CNT), boron nitride (BN) nanotube, and copper (Cu) nanowire, in the woven polymer matrix to meet the purpose. Through molecular dynamics (MD) simulation, the thermal properties of three woven polymers including woven polyethylene (PE), woven poly (p-phenylene) (PPP), and woven polyacetylene (PA) are investigated. Besides, using woven PE as a polymer matrix, three polymer nanocomposites, namely PE-CNT, PE-BN, and PE-Cu, are constructed by mixing CNT, BN nanotube, and Cu nanowire respectively, whose thermo-mechanical characteristics are compared via MD simulation. Morphology and phonons spectra analysis are conducted to reveal the underlying mechanisms. Furthermore, impacts of electron-phonon coupling and electrical field on the thermal conductivity of PE-Cu are uncovered via two temperature model MD simulation. Classical theoretical models are modified to predict the effects of filler and matrix on the thermal conductivity of polymer nanocomposites. This work can provide useful guidelines for designing thermally conductive bulk polymers and polymer nanocomposites.

Highlights

Polymers have been ubiquitously used in daily life and industry from water cup and plastic tube to energy storage and conversion devices due to numerous advantages like low mass density, low cost, chemical inertness, electrically insulated, and easy of processing [1,2,3]
non-equilibrium molecular dynamics (NEMD) simulation, we investigate thermo-mechanical characteristics of woven PE, PE-carbon nanotube (CNT), PE-boron nitride (BN), and PE-Cu
We find that mixing high length-diameter ratio filler plays a more effective role in fabricating thermally conductive polymer nanocomposites especially at low filler content, while the thermal conductivity of filler itself does not matter much

Summary

Introduction

Polymers have been ubiquitously used in daily life and industry from water cup and plastic tube to energy storage and conversion devices due to numerous advantages like low mass density, low cost, chemical inertness, electrically insulated, and easy of processing [1,2,3]. The thermal conductivity of single PE chain can be up to 350 W m−1 K−1 and even higher [7,8], which stimulates the interest in studying heat conduction in polymers. Numerous simulations and experiments have been dedicated to investigating thermal transport in polymers from one dimensional polymer chain to three dimensional bulk polymers. Shen et al fabricated ultra-drawn PE nanofibers with extremely high thermal conductivity [9], and they later fabricated crystalline PE nanofibers with both high strength and thermal conductivity at low Polymers 2020, 12, 1255; doi:10.3390/polym12061255 www.mdpi.com/journal/polymers. Polymers 2020, 12, 1255 temperature via local heating method [10]. Shrestha et al fabricated PE nanofibers with roomtemperature thermal conductivity of 50 W m−1 K−1 via two-step drawing method [11].

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