文献类型：期刊文献

英文题名：Correlation between dye structure with dyeing properties in anhydrous dyeing systems: Insights from Crystallographic, DFT, kinetic, and thermodynamic analyses

作者：Ding, Lei[1,2];Zhang, Hongjuan[1];Shen, Chuliang[3];Chen, Linguo[1];Wang, Zhengkai[1];Song, Xiyu[2];Yang, Qun[1];Pei, Liujun[1];Wang, Jiping[1]

机构：[1]Shanghai Univ Engn Sci, Shanghai Engn Res Ctr Clean Prod Text Chem, Shanghai 201620, Peoples R China;[2]Shaoxing Univ, Key Lab Cleaning Dyeing & Finishing Technol Zhejia, Shaoxing 312000, Zhejiang, Peoples R China;[3]Zhejiang Tonghui Textlie Co Ltd, Zhejiang 312000, Peoples R China

年份：2024

卷号：223

外文期刊名：DYES AND PIGMENTS

收录：SCI-EXPANDED(收录号：WOS:001175025700001)、、EI(收录号：20240515450810)、Scopus(收录号：2-s2.0-85183207853)、WOS

基金：This work was financially supported by the National Natural Science Foundation of China (22108169) , Shanghai Sailing Program (21YF1416000) , Opening Project of Key Laboratory of Clean Dyeing and Finishing Technology of Zhejiang Province (QJRZ2205) , National Natural Science Foundation of China (22072089) .

语种：英文

外文关键词：D5 non -aqueous media; Disperse dyes; Polyester fabrics; Structure -packing -dyeing relationship

外文摘要：The dyeing performance of different disperse dyes in D5 non-aqueous media dyeing varies greatly, and dye structure is closely related to dyeing performance. Therefore, in this paper, the influence of dye molecular structure on the dyeing properties in D5 non-aqueous media was studied by incorporating X-ray crystal diffraction analysis, density functional theory (DFT), and dyeing experiments. The results showed that cyano group on the azo component increased the coplanarity of the aromatic ring, forming a stronger 7C-7C stacking. Meanwhile, introducing a smaller steric effect substituent on the coupling component also facilitated the formation of tighter molecular arrangements. The thermodynamic and kinetic parameters of dyeing showed that the close molecular stacking and arrangement could effectively increase the adsorption amount of disperse dye on the polyester fabric but reduce the diffusion in the fiber, which helped to improve the dyeing uptake. These results helped us understand the relationship between dye structure, molecular stacking, and dyeing performance in D5 non-aqueous medium dyeing and provided a theoretical basis for screening and optimizing D5 dyeing system-specific dyes.