文献类型：期刊文献

英文题名：Molecular dynamics study on structural modulation and dyeing property optimization of meta-aramid in a DMSO/electrolyte system

作者：Zhuo, Yan[1];Wang, Kuang[1];Hou, Lin[2];Liu, Jianli[1];Fan, Zhengke[2];Fu, Yizheng[3];Dong, Aixue[4,5];Zhu, Bo[1]

机构：[1]Jiangnan Univ, Coll Text Sci & Engn, Wuxi 214122, Peoples R China;[2]Shaanxi Yuanfeng Text Technol Res Co LTD, Xian 710038, Peoples R China;[3]North Univ China, Sch Mat Sci & Engn, Taiyuan 030051, Peoples R China;[4]Zhejiang Sci Tech Univ, Key Lab Intelligent Text & Flexible Interconnect Z, Hangzhou 310018, Zhejiang, Peoples R China;[5]Shaoxing Univ, Shaoxing Sub Ctr Natl Engn Res Ctr Fiber based Com, Shaoxing 312000, Zhejiang, Peoples R China

年份：2025

卷号：678

起止页码：732

外文期刊名：JOURNAL OF COLLOID AND INTERFACE SCIENCE

收录：SCI-EXPANDED(收录号：WOS:001312237300001)、、EI(收录号：20243616973410)、Scopus(收录号：2-s2.0-85202536109)、WOS

基金：This study is funded by of the Opening Project of Key Laboratory of Intelligent Textile and Flexible Interconnection of Zhejiang Province (YB05) and the Postgraduate Research & Practice Innovation Program of Jiangsu Province (KYCX24_2554) .

语种：英文

外文关键词：Poly-meta-phenylene isophthalamide (PMIA); Molecular dynamics; Crystalline and amorphous regions; Hydrogen bond regulation; Dyeing performance

外文摘要：Meta-aramid (PMIA) fabrics are typically problematic to dye owing to their extremely crystalline structure and high compactness. Herein, Dimethyl sulfoxide (DMSO) and electrolyte as hydrogen bond regulators were selected to improve the dyeability of PIMA dyed with cationic dyes. The PMIA shows both high dyeing and mechanical properties as a result of the synergistic effect of DMSO and electrolyte in the system, which destructs hydrogen bonding networks and increase interaction energy density between dye molecules and PMIA, confirmed by a series of characterization and molecular dynamics simulations. In the DMSO/NaCl/PMIA system, while maintaining excellent mechanical (breaking strength and elongation at break of 24.6Mpa and 37.6 %, respectively) and thermal properties, PMIA not only obtained the best dyeability, increasing the Dye uptake from 20 % to 70.62 % and the K/S value from 2.92 to 18.02, but also achieved excellent colour fastness (fastness to dry and wet rubbing, fastness to light, and fastness to washing of 4-5, 3-4, 3-4 and 4-5, respectively). Simulated results and experimental data verified that the DMSO/NaCl system optimally synergizes hydrogen bond regulation for PMIA and achieves the best dyeing effects for cationic dyes, manifesting its great potential in the PMIA wear- ability area.