Sustainable reactive dyeing of cotton fabric in green non-aqueous medium: A density function theory (DFT) modeling study

Luyi Chen, Jiangang Chen, Xinhui Ruan, Suxin Xu, Yiqi Yang, Bijia Wang

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Scopus citations

Abstract

Sustainable reactive dyeing of cotton in green non-nucleophilic solvents was investigated. Dye fixation in the new medium was modeled using DFT calculations with the aim of understanding the role of organic bases. The novel procedure uses non-nucleophilic green solvents instead of water to eliminate the dye hydrolysis. All residuals in the spent dye bath could be conveniently recycled and reused. The three major stages in cotton reactive dyeing, cellulose swelling, dye adsorption and dye fixation were optimized respectively. Two organic bases and potassium carbonate were studied for dye fixation. The mechanisms of the amine-promoted dye fixation were modeled using density function theory (DFT) calculations. The formation of the amine-dye intermediate was elucidated and analyzed using high performance liquid chromatography (HPLC) analysis. The quaternary ammonium catalysis effect on intermediates forming was observed. A 10-cycle repeated dyeing sequence was demonstrated using Reactive orange 5 to give consistently high shade buildup, excellent colorfastness and dramatic reduction in resource consumption. The results have implications for better understanding the new hydrolysisfree and recyclable solvent dyeing process.

Original languageEnglish (US)
Title of host publicationWool and Textiles Sustainable Development
EditorsJianzhong Shao, Jiping Wang, Jiping Wang
PublisherTrans Tech Publications Ltd
Pages139-148
Number of pages10
ISBN (Print)9783038355724
DOIs
StatePublished - 2015
Event13th International Wool Research Conference, IWRC 2015 and AATCC Sustainability Symposium, AATCC-SS 2015 - Hangzhou, China
Duration: Jun 10 2015Jun 14 2015

Publication series

NameKey Engineering Materials
Volume671
ISSN (Print)1013-9826
ISSN (Electronic)1662-9795

Other

Other13th International Wool Research Conference, IWRC 2015 and AATCC Sustainability Symposium, AATCC-SS 2015
CountryChina
CityHangzhou
Period6/10/156/14/15

Keywords

  • Cotton fabrics
  • Density functional theory (DFT)
  • Hydrolysis-free reactive dyeing
  • Sustainable dyeing

ASJC Scopus subject areas

  • Materials Science(all)
  • Mechanics of Materials
  • Mechanical Engineering

Fingerprint Dive into the research topics of 'Sustainable reactive dyeing of cotton fabric in green non-aqueous medium: A density function theory (DFT) modeling study'. Together they form a unique fingerprint.

  • Cite this

    Chen, L., Chen, J., Ruan, X., Xu, S., Yang, Y., & Wang, B. (2015). Sustainable reactive dyeing of cotton fabric in green non-aqueous medium: A density function theory (DFT) modeling study. In J. Shao, J. Wang, & J. Wang (Eds.), Wool and Textiles Sustainable Development (pp. 139-148). (Key Engineering Materials; Vol. 671). Trans Tech Publications Ltd. https://doi.org/10.4028/www.scientific.net/KEM.671.139