Chain rotation significantly reduces thermal conductivity of single-chain polymers

Ma, Hao; Tian, Zhiting

doi:10.1557/jmr.2018.362

Cited by 43 publications

(37 citation statements)

References 38 publications

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“…These results suggest that improving the chain alignment along the thermal transport directions is an effective way to enhance the thermal conductivity of polymers. Moreover, Ma and Tian have studied the role of the chain rotation on thermal conductivity of single‐chain polymers by molecular dynamics simulations. The authors found that large chain rotations can reduce the phonon group velocities, resulting in the reduction of thermal conductivity.…”

Section: Manipulation Of Thermal Conductivitymentioning

confidence: 99%

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Thermal Transport in Conductive Polymer–Based Materials

Zhou

Chen

2019

Adv Funct Materials

162

106

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The demand for flexible conductive materials has motivated many recent studies on conductive polymer–based materials. However, the thermal conductivity of conductive polymers is relatively low, which may lead to serious heat dissipation problems for device applications. This review provides a summary of the fundamental principles for thermal transport in conductive polymers and their composites, and recent advancements in regulating their thermal conductivity. The thermal transport mechanisms in conductive polymer–based materials and up‐to‐date experimental approaches for measuring thermal conductivity are first summarized. Effective approaches for the regulation of thermal conductivity are then discussed. Finally, thermal‐related applications and future perspectives are given for conductive polymers and their composites.

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Section: Manipulation Of Thermal Conductivitymentioning

confidence: 99%

Section: Alignment Of Chain Orientationsmentioning

confidence: 99%

Thermal Transport in Conductive Polymer–Based Materials

Zhou

Chen

2019

Adv Funct Materials

162

106

View full text Add to dashboard Cite

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“…Meanwhile, Ma et al investigated the reduced thermal conductivity of the polymer. The effects of chain rotation on the thermal conductivity of a single chain polymer derived from poly(2,2′‐disulfonyl‐4,4′‐benzidine terephthalamide) (PBDT) derivatives and Kevlar using the equilibrium molecular dynamics method were investigated . They found that chain rotation played a necessary role in reducing the thermal conductivity in a given polymer chain from stretched to unstretched or between different polymer chains.…”

Section: Thermal Conduction Of Pcmsmentioning

confidence: 99%

“…The effects of chain rotation on the thermal conductivity of a single chain polymer derived from poly(2,2′-disulfonyl-4,4′-benzidine terephthalamide) (PBDT) derivatives and Kevlar using the equilibrium molecular dynamics method were investigated. [147] They found that chain rotation played a necessary role in reducing the thermal conductivity in a given polymer chain from stretched to unstretched or between different polymer chains. It was found that the functional groups on benzene rings in single-chain polymers derived from PBDT derivatives were critical to chain rotation.…”

Section: Thermal Conductivity Reduction Of Pcmsmentioning

confidence: 99%

Engineering the Thermal Conductivity of Functional Phase‐Change Materials for Heat Energy Conversion, Storage, and Utilization

Yuan

Shi

Aftab

et al. 2019

Adv Funct Materials

292

136

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Thermal energy storage technologies based on phase‐change materials (PCMs) have received tremendous attention in recent years. These materials are capable of reversibly storing large amounts of thermal energy during the isothermal phase transition and offer enormous potential in the development of state‐of‐the‐art renewable energy infrastructure. Thermal conductivity plays a vital role in regulating the thermal charging and discharging rate of PCMs and improving the heat‐utilization efficiency. The strategies for tuning the thermal conductivity of PCMs and their potential energy applications, such as thermal energy harvesting and storage, thermal management of batteries, thermal diodes, and other forms of energy utilization, are summarized systematically. Furthermore, a research perspective is given to highlight emerging research directions of engineering advanced functional PCMs for energy applications.

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“…Liao et al found that the thermal conductivity of aligned PE-CNT nanocomposites can reach 60 W m −1 K −1 [22], and the heavy atoms can impede phonons transport along PE chain [23]. Ma et al demonstrated that the redundant side chains [24] and chain rotation [25] can reduce phonon mean free path. They also developed a theoretical model related to bond energy, backbone rotation, in-plane bond ratio, and atomic amass to predict thermal conductivity of crystalline polymers [26].…”

Section: Introductionmentioning

confidence: 99%

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

et al. 2020

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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.

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Chain rotation significantly reduces thermal conductivity of single-chain polymers

Abstract: Abstract

Cited by 43 publications

References 38 publications

Thermal Transport in Conductive Polymer–Based Materials

Thermal Transport in Conductive Polymer–Based Materials

Engineering the Thermal Conductivity of Functional Phase‐Change Materials for Heat Energy Conversion, Storage, and Utilization

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

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