Effect of carbon nanotube length on thermal conductivity of SWNT/PVA composites

IF 3.4 4区工程技术 Q2 POLYMER SCIENCE

Macromolecular Research Pub Date : 2025-03-26 DOI:10.1007/s13233-025-00378-7

Zi-Yi Gao, Kun Liu, Zhi-Peng Li, Yu-Cong Chen, Qi-Yuan Liang, Xiao-Ya Liu, Jia-Yi Ren, Fei Wang, Jian-Guo Liang, Zhan-Chun Chen

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Abstract

In polymer nanocomposites, the enhancement efficiency of single-walled carbon nanotubes (SWNTs) on the thermal conductivity of polymers is primarily influenced by the length of the SWNTs. This study analyzes the thermodynamic properties of carbon nanotube/polyvinyl alcohol (SWNT/PVA) composites and investigates the impact of varying SWNT lengths on the thermal conductivity of the composite system through the application of the reverse non-equilibrium molecular dynamics simulation method (RNEMD). The simulation results reveal that the interaction energy between SWNTs and PVA is markedly enhanced with increasing SWNT length, which augments the interfacial adsorption capacity of the composite system and facilitates heat transfer. Concurrently, the thermal conductivity of the composites rises with the elongation of the SWNTs. Longer SWNTs can establish a robust thermal conductivity pathway, thereby enabling more efficient heat conduction along the axial direction of the SWNTs. This structural characteristics significantly enhances the thermal conductivity of the material and accelerates the transfer of heat.

Graphical Abstract

Based on molecular dynamics simulations, the effect of single-walled carbon nanotube (SWNT) length on the thermal properties of carbon nanotube/polyvinyl alcohol (SWNT/PVA) composites was systematically investigated. The simulation results demonstrate that the thermal conductivity of the composites exhibits a significant increasing trend with the increase in SWCNT length.

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碳纳米管长度对SWNT/PVA复合材料导热性能的影响

在聚合物纳米复合材料中，单壁碳纳米管（SWNTs）对聚合物导热性的增强效率主要受其长度的影响。本研究分析了碳纳米管/聚乙烯醇（SWNT/PVA）复合材料的热力学性质，并应用反向非平衡分子动力学模拟方法（RNEMD）研究了不同SWNT长度对复合材料导热性能的影响。模拟结果表明，随着单壁碳纳米管长度的增加，单壁碳纳米管与PVA之间的相互作用能显著增强，增强了复合体系的界面吸附能力，有利于传热。同时，复合材料的导热系数随着单壁碳纳米管伸长率的增加而增加。较长的单壁碳纳米管可以建立一个强大的导热途径，从而实现沿单壁碳纳米管轴向更有效的热传导。这种结构特性显著提高了材料的导热性，加速了热量的传递。摘要基于分子动力学模拟，系统研究了单壁碳纳米管（SWNT）长度对碳纳米管/聚乙烯醇（SWNT/PVA）复合材料热性能的影响。模拟结果表明，复合材料的导热系数随碳纳米管长度的增加呈显著增加趋势。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Macromolecular Research 工程技术-高分子科学

CiteScore

4.70

自引率

8.30%

发文量

100

审稿时长

1.3 months

期刊介绍： Original research on all aspects of polymer science, engineering and technology, including nanotechnology Presents original research articles on all aspects of polymer science, engineering and technology Coverage extends to such topics as nanotechnology, biotechnology and information technology The English-language journal of the Polymer Society of Korea Macromolecular Research is a scientific journal published monthly by the Polymer Society of Korea. Macromolecular Research publishes original researches on all aspects of polymer science, engineering, and technology as well as new emerging technologies using polymeric materials including nanotechnology, biotechnology, and information technology in forms of Articles, Communications, Notes, Reviews, and Feature articles.