A combined molecular dynamic simulation, DFT calculations, and experimental study of the eriochrome black T dye adsorption onto chitosan in aqueous solutions

Title
A combined molecular dynamic simulation, DFT calculations, and experimental study of the eriochrome black T dye adsorption onto chitosan in aqueous solutions
Authors
Keywords
Dyes/macromolecules interaction, Density functional theory, Molecular dynamics simulation
Journal
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
Volume 166, Issue -, Pages 707-721
Publisher
Elsevier BV
Online
2020-11-01
DOI
10.1016/j.ijbiomac.2020.10.228

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