碳纳米管分散与三嵌段共聚物相域的战略调控:从分子模拟的见解

IF 4.1 2区 化学 Q2 POLYMER SCIENCE
Shao-Long Liu, Tang Sui, Shuang Xu, Xiao-Ke Xu, Giuseppe Milano, Ying Zhao, You-Liang Zhu, Bao-Sheng Cao
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引用次数: 0

摘要

碳纳米管在三嵌段共聚物基体中的分散是制备具有理想电性能的纳米复合材料的关键。本研究利用混合粒子场分子动力学模拟研究了具有不同宽高比碳纳米管的聚苯乙烯-聚丁二烯-聚苯乙烯(SBS)基体的自组装和电学行为。对复合材料的结构因素分析表明,高纵横比的CNTs促进了SBS基体从双连续相向片层相的转变。电阻网络算法表明,SBS和CNTs纳米复合材料的电导率受CNTs宽高比、浓度和三嵌段共聚物SBS结构域尺寸的相互作用影响。我们的研究揭示了碳纳米管分散与SBS/CNTs纳米复合材料的电学行为之间的关系,指导了通过调节碳纳米管长宽比和定制三嵌段共聚物域的尺寸来实现所需电学性能的材料工程。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Strategic Regulation of Carbon Nanotube Dispersion with Triblock Copolymer Phase Domains: Insights from Molecular Simulations

The strategic dispersion of carbon nanotubes (CNTs) within triblock copolymer matrix is key to fabricating nanocomposites with the desired electrical properties. This study investigated the self-assembly and electrical behavior of a polystyrene-polybutadiene-polystyrene (SBS) matrix with CNTs of different aspect ratios using hybrid particle-field molecular dynamics simulations. Structural factor analysis of the nanocomposites indicated that CNTs with higher aspect ratios promoted the transition of the SBS matrix from a bicontinuous to a lamellar phase. The resistor network algorithm method showed that the electrical conductivity of SBS and CNTs nanocomposites was influenced by the interplay between the CNTs aspect ratios, concentrations, and domain sizes of the triblock copolymer SBS. Our research sheds light on the relationship between CNTs dispersion and the electrical behavior of SBS/CNTs nanocomposites, guiding the engineering of materials to achieve desired electrical properties through the modulation of CNTs aspect ratios and tailored sizing of triblock copolymer domains.

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来源期刊
Chinese Journal of Polymer Science
Chinese Journal of Polymer Science 化学-高分子科学
CiteScore
7.10
自引率
11.60%
发文量
218
审稿时长
6.0 months
期刊介绍: Chinese Journal of Polymer Science (CJPS) is a monthly journal published in English and sponsored by the Chinese Chemical Society and the Institute of Chemistry, Chinese Academy of Sciences. CJPS is edited by a distinguished Editorial Board headed by Professor Qi-Feng Zhou and supported by an International Advisory Board in which many famous active polymer scientists all over the world are included. The journal was first published in 1983 under the title Polymer Communications and has the current name since 1985. CJPS is a peer-reviewed journal dedicated to the timely publication of original research ideas and results in the field of polymer science. The issues may carry regular papers, rapid communications and notes as well as feature articles. As a leading polymer journal in China published in English, CJPS reflects the new achievements obtained in various laboratories of China, CJPS also includes papers submitted by scientists of different countries and regions outside of China, reflecting the international nature of the journal.
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