Mechanism of Bonding Reactive Dyes with Copolymer (chloromethyl)oxirane-1H-imidazole cationised Cellulose

• Published in: Materials Vol. 15; no. 13; p. 4664
• Main Authors: Pruś, Stanisław, Kulpiński, Piotr, Matyjas-Zgondek, Edyta, Wojciechowski, Krzysztof
• Format: Journal Article
• Language: English
• Published: Basel MDPI AG 02.07.2022; MDPI
• Subjects: cationised cotton; Cellulose; Chains; Copolymers; Cotton; Cotton fabrics; Covalent bonds; Dyeing; Dyes; Electrolytes; Epichlorohydrin; Ethylene oxide; Hydrochloric acid; Hydroxyl groups; Imidazole; Laboratories; mechanism bonding; molecular mechanics MM; Nitrogen; Nucleophiles; Optimization; Polymers; Quantum chemistry; quantum-chemical calculations PM3; reactive dyes; Rings (mathematics); Room temperature; Texamin ECE New; Poland; Czech Republic; United States > US; Germany; India
• ISSN: 1996-1944; 1996-1944
• DOI: 10.3390/ma15134664

Introducing the cellulose chain cationic groups in the modification process completely changes the charge on the cotton surface from negative to partially or totally positive. That allows the electrostatic attraction and simultaneous exhaustion and fixation of reactive dyes. This reaction can be carried out without salt and alkali at room temperature. Similarly, the reaction between reactive dye and an alone copolymer ([IME]+Cl−) with TLC chromatography was confirmed. The analysis with the use of particle optimisation with MM+ molecular mechanics and quantum-chemical calculations PM3 by the method of all valence orbitals confirmed the experimental results of the high activity of the nucleophile formed on the hydroxyl group in the chain of a modifier. It was found and experimentally confirmed that the reactive dyes during the dyeing process of the cotton cationised with copolymer (chloromethyl)oxirane -1H-imidazole ([IME]+Cl−) create covalent bonds due to a reaction with the hydroxyl group located in the modification agent instead of with the hydroxyl group in the glucopiranose ring. Although the dyeing takes place in very mild conditions, a high degree of setting is achieved, comparable to conventional methods.