Strategic Regulation of Carbon Nanotube Dispersion with Triblock Copolymer Phase Domains: Insights from Molecular Simulations  

作　　者：Shao-Long Liu Tang Sui Shuang Xu Xiao-Ke Xu Giuseppe Milano Ying Zhao You-Liang Zhu Bao-Sheng Cao 

机构地区：[1]School of Physics and Materials Engineering,Dalian Minzu University,Dalian 116600,China [2]School of Information and Communication Engineering,Dalian Minzu University,Dalian 116600,China [3]School of Journalism and Communication,Beijing Normal University,Zhuhai 519085,China [4]University of Naples Federico II,Department of Chemical,Materials and Production Engineering,Piazzale V.Tecchio,80,80125 Napoli,Italy [5]State Key Laboratory of Supramolecular Structure and Materials,College of Chemistry,Jilin University,Changchun 130012,China

出　　处：《Chinese Journal of Polymer Science》2025年第3期517-532,共16页高分子科学(英文版)

基　　金：financially supported by the National Natural Science Foundation of China(Nos.52273019,62173065,22133002,22273031,and 12274056);Fundamental Research Funds for the Central Universities(No.04442024074);NationalKey R&D Program of China(No.2022YFB3707300);Beijing Natural Science Foundation(No.4242040);Scientific Research Funds Project of Liaoning Provincial Department of Education(No.LJKZ0034)。

摘　　要：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.

关 键 词：Conductive polymer nanocomposites Carbon nanotubes Triblock copolymer Electrical conductivity Hybrid particle-field molecular dynamics simulation 

分 类 号：TB3[一般工业技术—材料科学与工程]