A combined molecular dynamic simulation, DFT calculations, and experimental study of the eriochrome black T dye adsorption onto chitosan in aqueous solutions
Published 2020 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
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
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Nanocellulose-based composites for the removal of contaminants from wastewater
- (2020) A. Tshikovhi et al. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
- Electrochemical and Computational Studies on the Corrosion Inhibition of Mild Steel by 1-Hexadecyl-3-methylimidazolium Bromide in HCl Medium
- (2020) Jianhong Tan et al. International Journal of Electrochemical Science
- A review on classifications, recent synthesis and applications of textile dyes
- (2020) Said Benkhaya et al. INORGANIC CHEMISTRY COMMUNICATIONS
- Removal of food dyes from aqueous solution by chitosan-vermiculite beads
- (2020) Zeynep Mine Şenol et al. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
- Removal of malachite green from aqueous solutions using a modified chitosan composite
- (2019) T.K. Arumugam et al. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
- Synthesis of a novel epibromohydrin modified crosslinked polyamine resin for highly efficient removal of methyl orange and eriochrome black T
- (2019) Mohammad Saood Manzar et al. Journal of the Taiwan Institute of Chemical Engineers
- Enhanced removal of Orange G from aqueous solutions by modified chitosan beads: Performance and mechanism
- (2019) Zetty Azalea Sutirman et al. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
- Computational study of reactivity and solubility of Rubescin D and E molecules in gas phase and in solvent media using Hartree-Fock and DFT methods
- (2019) R.A. Yossa Kamsi et al. CHINESE JOURNAL OF PHYSICS
- Adsorptive removal of acidic dye onto grafted chitosan: A plausible grafting and adsorption mechanism
- (2019) Iram Tahira et al. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
- Effects of four food dyes on development of three model species, Cucumis sativus, Artemia salina and Danio rerio: Assessment of potential risk for the environment
- (2019) Chiara Maria Motta et al. ENVIRONMENTAL POLLUTION
- Pb(II) biosorption using DAP/EDTA-modified biopolymer (Chitosan)
- (2018) Ayyub Khawar et al. CHEMICAL ENGINEERING COMMUNICATIONS
- Gum xanthan-psyllium-cl-poly(acrylic acid-co-itaconic acid) based adsorbent for effective removal of cationic and anionic dyes: Adsorption isotherms, kinetics and thermodynamic studies
- (2018) Sukriti chaudhary et al. ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY
- Ionically crosslinked magnetic chitosan/κ-carrageenan bioadsorbents for removal of anionic eriochrome black-T
- (2018) Mohammad Hasan Karimi et al. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
- Computational, Monte Carlo simulation and experimental studies of some arylazotriazoles (AATR) and their copper complexes in corrosion inhibition process
- (2018) Loutfy H. Madkour et al. JOURNAL OF MOLECULAR LIQUIDS
- Adsorption of reactive red 136 onto chitosan/montmorillonite intercalated composite from aqueous solution
- (2018) Jin Li et al. APPLIED CLAY SCIENCE
- Synthesis of Femur extracted hydroxyapatite reinforced nanocomposite and its application for Pb(II) ions abatement from aqueous phase
- (2018) Ayyub Khawar et al. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
- Competitive adsorption of ternary dye mixture using pine cone powder modified with β-cyclodextrin
- (2017) Sushanta Debnath et al. JOURNAL OF MOLECULAR LIQUIDS
- Development of novel cross-linked chitosan for the removal of anionic Congo red dye
- (2017) Abdul Zahir et al. JOURNAL OF MOLECULAR LIQUIDS
- Synthesis, characterization and the inhibition activity of a new α-aminophosphonic derivative on the corrosion of XC48 carbon steel in 0.5M H2SO4: Experimental and theoretical studies
- (2017) Nadjib Chafai et al. Journal of the Taiwan Institute of Chemical Engineers
- Dye removal from aqueous solution by raw maize corncob and H 3 PO 4 activated maize corncob
- (2017) M. Farnane et al. Journal of Water Reuse and Desalination
- Adsorption rate of Reactive Black 5 on chitosan based materials: geometry and swelling effects
- (2016) G. L. Dotto et al. ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY
- Synthesis and characterization of poly(maleic acid)-grafted crosslinked chitosan nanomaterial with high uptake and selectivity for Hg(II) sorption
- (2016) Huacai Ge et al. CARBOHYDRATE POLYMERS
- Safety and regulatory review of dyes commonly used as excipients in pharmaceutical and nutraceutical applications
- (2016) Leire Pérez-Ibarbia et al. EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES
- What is NBO analysis and how is it useful?
- (2016) F. Weinhold et al. INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY
- Synthesis of hydrophobic cross-linked polyzwitterionic acid for simultaneous sorption of Eriochrome black T and chromium ions from binary hazardous waters
- (2016) Tawfik A. Saleh et al. JOURNAL OF COLLOID AND INTERFACE SCIENCE
- Experimental, quantum chemical and Monte Carlo simulation studies of 3,5-disubstituted-4-amino-1,2,4-triazoles as corrosion inhibitors on mild steel in acidic medium
- (2016) M. ElBelghiti et al. JOURNAL OF MOLECULAR LIQUIDS
- Halogen-substituted imidazoline derivatives as corrosion inhibitors for mild steel in hydrochloric acid solution
- (2015) Kegui Zhang et al. CORROSION SCIENCE
- Quantitative structure–activity relationship model for amino acids as corrosion inhibitors based on the support vector machine and molecular design
- (2014) Hongxia Zhao et al. CORROSION SCIENCE
- Removal of Cd(II) and Co(II) ions from aqueous solutions by polypyrrole particles: Kinetics, equilibrium and thermodynamics
- (2014) Lamria Seid et al. Journal of the Taiwan Institute of Chemical Engineers
- Adsorption Behavior of Azo Dye Eriochrome Black T from Aqueous Solution by β-Cyclodextrins/Polyurethane Foam Material
- (2013) Ke Dong et al. POLYMER-PLASTICS TECHNOLOGY AND ENGINEERING
- Studies of iron corrosion inhibition using chemical, electrochemical and computer simulation techniques
- (2010) K.F. Khaled ELECTROCHIMICA ACTA
- Calculation of Fukui Functions Without Differentiating to the Number of Electrons. 3. Local Fukui Function and Dual Descriptor
- (2008) Tim Fievez et al. Journal of Chemical Theory and Computation
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreDiscover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversation