Study of substituents-regulated dyeing properties in non-aqueous media systems based on MD simulation and DFT
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Research context
OpenAlex topics: Dyeing and Modifying Textile Fibers · Photochromic and Fluorescence Chemistry · Surfactants and Colloidal Systems
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References (40)
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1. Can novel synthetic disperse dyes for polyester fabric dyeing provide added value?10.3390/polym15081845 ↗
2. Novel disperse dyes based on enaminones: synthesis, dyeing performance on polyester fabrics, and potential biological activities10.3390/molecules29102227 ↗
3. Novel monosulfonated azo dyes: design, synthesis, and application as disperse dyes on polyester fabrics10.1021/acsomega.3c05905 ↗
4. Synthetic fiber dyeing with new pyrazole disperse dyes and their colorimetric and fastness properties10.1007/s12221-018-7227-y ↗
5. Synthesis, characterization, and application of novel aryldiazenyl disperse dyes on polyester fabrics10.1038/s41598-023-48368-y ↗
6. Dyeing performance of disperse dyes on polyester fabrics using eco-friendly carrier and their antioxidant and anticancer activities10.3390/ijerph16234603 ↗
7. Synthesis of benzisothiazole-azo disperse dyes for high resistance to alkaline treatments and peroxide bleaching of polyester and polyester/cotton fabric10.1021/acsomega.2c02720 ↗
8. Decamethylcyclopentasiloxane (D5) environmental sources, fate, transport, and routes of exposure10.1002/etc.2941 ↗
9. A global human health risk assessment for Decamethylcyclopentasiloxane (D5)10.1016/j.yrtph.2015.10.023 ↗
10. Dyeing properties of polylactic acid fabric with disperse dyes of different structures using decamethylcyclopentasiloxane as non-aqueous media10.1111/cote.12693 ↗
11. Potential trade-off between water consumption and water quality: life cycle assessment of nonaqueous solvent dyeing10.1016/j.watres.2022.118222 ↗
12. Improved dyeing performance of blue disperse dyes with n-acetoxyethyl groups in D5 non-aqueous media system10.1007/s12221-024-00488-6 ↗
13. Extraction of cyclic oligomer and their influence on polyester dyeing in a silicone waterless dyeing system10.3390/polym13213687 ↗
14. High-efficiency dispersant-free polyester dyeing using D5 non-aqueous medium10.1016/j.dyepig.2021.109303 ↗
15. Mechanism of accelerant on disperse dyeing for pet fiber in the silicone solvent dyeing system10.3390/polym11030520 ↗
16. Substituent-dyeing properties relationship of disperse dyes on polyester in low pressure waterless dyeing system
17. Correlation between dye structure with dyeing properties in anhydrous dyeing systems: insights from Crystallographic, DFT, kinetic, and thermodynamic analyses10.1016/j.dyepig.2024.111961 ↗
18. Distribution mechanism of disperse dyes with similar substituents in a waterless dyeing system based on molecular dynamic simulation10.1016/j.dyepig.2022.110264 ↗
19. Investigation from molecular packing to application of azobenzene disperse dyes on polyester fabrics to realize waterless dyeing
20. Understanding covalent grafting of nanotubes onto polymer nanocomposites: molecular dynamics simulation study10.3390/s21082621 ↗
21. Kinetics from replica exchange molecular dynamics simulations10.1021/acs.jctc.7b00372 ↗
22. Reorientational dynamics of molecules in liquid methane: a molecular dynamics simulation study10.1016/j.molliq.2020.114727 ↗
23. Molecular dynamics simulation of an entire cell10.3389/fchem.2023.1106495 ↗
24. Hybrid photoluminescent materials containing a benzobisthiazole core for liquid crystal and gel applications10.1039/C6SM02650H ↗
25. The effects of dye aggregation on the performance of organic dyes in dye-sensitized solar cells: from static model to molecular dynamics simulation10.1016/j.jlumin.2018.08.084 ↗
26. Investigation on dye separation mechanism in covalent-organic framework membranes with molecular dynamics simulation
27. Molecular order in a chromonic liquid crystal: a molecular simulation study of the anionic azo dye sunset yellow10.1021/ja102468g ↗
28. Computational study of the interaction between azo dye (RR141) and Hematite α-Fe2O3(111) Surface: density functional theory and molecular dynamics simulation10.1016/j.comptc.2023.114355 ↗
29. Mesoporous carbon derived from anaerobic granular sludge through molten salt method and its application for dye adsorption: an experimental and molecular dynamics simulation study10.1007/s13399-022-02999-9 ↗
30. Molecular dynamic simulation and DFT computational studies on the adsorption performances of methylene blue in aqueous solutions by orange peel-modified phosphoric acid10.1016/j.molstruc.2019.127290 ↗
31. Computational study of acid blue 80 dye adsorption on low cost agricultural Algerian olive cake waste: statistical mechanics and molecular dynamic simulations10.1016/j.molliq.2018.08.115 ↗
32. Solvation of salicylic acid in pure, methanol-modified and water-modified supercritical carbon dioxide: molecular dynamics simulation10.1016/j.supflu.2015.06.016 ↗
33. Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids10.1021/ja9621760 ↗
34. Rapid QM/MM approach for biomolecular systems under periodic boundary conditions: combination of the density-functional tight-binding theory and particle mesh Ewald method10.1002/jcc.24497 ↗
35. Investigation from synthesis to crystal structure to application of ecofriendly disperse dyes on one-step dyeing of PET fabric10.1021/acssuschemeng.6b02100 ↗
36. Molecular dynamics simulations: advances and applications10.3390/molecules27072105 ↗
37. Synthesis of phthalimide disperse dyes and study on the interaction energy10.1016/j.dyepig.2017.07.013 ↗
38. Dyeing property and adsorption kinetics of reactive dyes for cotton textiles in salt-free non-aqueous dyeing systems10.3390/polym10091030 ↗
39. Review on intermolecular forces between dyes used for polyester dyeing and polyester fiber
40. Synthesis and application of N-butyl substituted phthalimide disperse dyes10.1177/0040517518805380 ↗