文献类型：期刊文献

英文题名：Dimethyl Sulfoxide and Sodium Chloride Modulate the Crystal Structure in PMIA to Enhance Dyeing Performance: Molecular Dynamics Simulation and Experimental Investigations

作者：Zhuo, Yan[1];Wang, Kuang[1];Chen, Minghui[2];Fan, Zhengke[2];Sun, Zhuangzhuang[1];Liu, Jianli[1];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, Shaanxi 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, Natl Engn Res Ctr Fiber based Composites, Shaoxing Sub Ctr, Shaoxing 312000, Zhejiang, Peoples R China

年份：2025

外文期刊名：ADVANCED SCIENCE

收录：SCI-EXPANDED(收录号：WOS:001432087700001)、、EI(收录号：20250917956615)、Scopus(收录号：2-s2.0-105003007458)、WOS

基金：Y.Z. and K.W. contributed equally to this work. This study is funded by the Opening Project of the 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：crystal structure modulation; DMSO/NaCl; dyeing performance; meta-aramid (PMIA); molecular dynamics simulation

外文摘要：The widespread use of meta-aramid (PMIA) is limited by its poor dyeing performance, and researchers often struggle to qualitatively and quantitatively assess its microscopic structural regulation when attempting to improve dyeing performance. Herein, DMSO/NaCl is chosen to synergistically modulate the structure of PMIA to improve its dyeing properties in combination with experiments and simulations. Initially, characterization and color testing reveal that the DMSO/NaCl combination induces structural changes in the amorphous regions of the PMIA fiber, improving the dispersion of the dye solution. Notably, PMIA exhibited a significant improvement in dyeing performance, with the K/S value increasing from 2.6 to 16.0 and dye uptake rising from 20.4% to 73.2%, while maintaining excellent colorfastness and mechanical integrity. Molecular dynamics simulations further confirm that DMSO/NaCl disrupts the hydrogen bonding network in the amorphous regions of PMIA, enhancing the mobility of molecular chains and increasing the free volume, thus providing additional adsorption and binding sites for the dye molecules. These findings highlight the potential of combining experimental and computational approaches to optimize the structural regulation and dyeing performance of PMIA fibers.