Adsorption mechanisms investigation of methylene blue on the (0 0 1) zeolite 4A surface in aqueous medium by computational approach and molecular dynamics
出版年份 2021 全文链接
标题
Adsorption mechanisms investigation of methylene blue on the (0 0 1) zeolite 4A surface in aqueous medium by computational approach and molecular dynamics
作者
关键词
Adsorption mechanisms, Cationic dye, Zeolite, Monte Carlo molecular modelling, Quantum chemical
出版物
APPLIED SURFACE SCIENCE
Volume 572, Issue -, Pages 151381
出版商
Elsevier BV
发表日期
2021-09-30
DOI
10.1016/j.apsusc.2021.151381
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- (2019) Dongli Wei et al. CHEMICAL ENGINEERING JOURNAL
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- (2019) Abderraouf Guediri et al. JOURNAL OF MOLECULAR STRUCTURE
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- Applications of zeolites in biotechnology and medicine – a review
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- Selective Removal of Radioactive Cesium from Nuclear Waste by Zeolites: On the Origin of Cesium Selectivity Revealed by Systematic Crystallographic Studies
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- Molecular structure, second- and third-order nonlinear optical properties and DFT studies of a novel non-centrosymmetric chalcone derivative: (2E)-3-(4-fluorophenyl)-1-(4-{[(1E)-(4-fluorophenyl)methylene]amino}phenyl)prop-2-en-1-one
- (2017) Shivaraj R. Maidur et al. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
- Applications of Zeolites in Sustainable Chemistry
- (2017) Yi Li et al. Chem
- A review on chitosan-based adsorptive membranes
- (2016) Ehsan Salehi et al. CARBOHYDRATE POLYMERS
- Molecular dynamics simulation of seawater reverse osmosis desalination using carbon nanotube membranes
- (2016) Young Mi Kim et al. Desalination and Water Treatment
- Multilayer Dye Adsorption in Activated Carbons—Facile Approach to Exploit Vacant Sites and Interlayer Charge Interaction
- (2016) Pejman Hadi et al. ENVIRONMENTAL SCIENCE & TECHNOLOGY
- What is NBO analysis and how is it useful?
- (2016) F. Weinhold et al. INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY
- Dye and its removal from aqueous solution by adsorption: A review
- (2014) Mustafa T. Yagub et al. ADVANCES IN COLLOID AND INTERFACE SCIENCE
- A computational perspective on equilibrium geometry, vibrational spectra and electronic structure of antioxidant active Mannich base 1-[(Pyridin-2-yl amino) methyl] pyrrolidine-2,5-dione
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- Removal of rhodamine B (a basic dye) and thoron (an acidic dye) from dilute aqueous solutions and wastewater simulants by ion flotation
- (2009) Kamal Shakir et al. WATER RESEARCH
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