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

IF 4.1 2区化学 Q2 POLYMER SCIENCE Chinese Journal of Polymer Science Pub Date : 2025-02-18 DOI:10.1007/s10118-025-3295-9

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

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Abstract

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 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.