Thermal stability and theoretical analysis of madder dye absorption pattern on cotton fabric

B SenthilKumar; Sundar M; Ramasubbu P; Dominic J; Gowri Shannkari B; Chitra Devi S

doi:10.1016/j.heliyon.2023.e22188

Thermal stability and theoretical analysis of madder dye absorption pattern on cotton fabric

Heliyon. 2023 Nov 14;9(11):e22188. doi: 10.1016/j.heliyon.2023.e22188. eCollection 2023 Nov.

Authors

B SenthilKumar¹, Sundar M¹, Ramasubbu P², Dominic J³, Gowri Shannkari B⁴, Chitra Devi S⁵

Affiliations

¹ Department of Rural Industries & Management, The Gandhigram Rural Institute -(Deemed to be University), Gandhigram, 624 302, Dindigul, Tamil Nadu, India.
² Department of Biology, The Gandhigram Rural Institute-Rural Industries (Deemed to be University), Gandhigram, 624 302, Dindigul, Tamil Nadu, India.
³ Departent of Chemistry, The Gandhigram Rural Institute - Deemed to be University, Gandhigram, 624 302, Dindigul, Tamil Nadu, India.
⁴ Department of Chemsity, Nadar MahajanaSangam S. Vellaichamy Nadar College, Nagamalai, Madurai, 625 019, India.
⁵ Department of Chemistry and Biochemistry, Nadar Saraswathi College of Arts and Science, Theni, India.

Abstract

In this investigation woven cotton fabric was dyed with madder dye under different dyeing conditions such as in the presence of without mordant, single mordant and mixed mordant. The thermal behaviour of non-mordanted,single mordanted and mixed chemical mordanted with madder dyed cotton fabrics were investigated through thermogravimetric analysis. Further, the fundamental molecular arrangement of dyed cotton fabric was confirmed by the Fourier transformer-Infrared spectroscopy, and the electronic orientation of dye molecule, and after adsorption of cellulose structure is confirmed from Ultra-Violet spectroscopy. HOMO and LUMO calculations are evaluated from the gaussian software. The interaction and binding energies between inhibitor (dye molecule) and cellulose surface are evaluated from molecular dynamic simulation using BIOVIA material studio software.

Keywords: Adsorption andBinding energy; Cellulose; Dye; HOMO and LUMO; Madder.