Molecular modeling of anionic and cationic dyes adsorption on sludge derived activated carbon

Samira Benabid; Angélica Fátima Mantelli Streit; Yacine Benguerba; Guilherme Luiz Dotto; Alessandro Erto; Barbara Ernst

doi:10.1016/j.molliq.2019.111119

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Molecular modeling of anionic and cationic dyes adsorption on sludge derived activated carbon

Samira Benabid Angélica Fátima Mantelli Streit Yacine Benguerba Guilherme Luiz Dotto Alessandro Erto Barbara Ernst

Year: 2019 Journal: Journal of Molecular Liquids Vol: 289 Pages: 111119-111119 Publisher: Elsevier BV

DOI: 10.1016/j.molliq.2019.111119

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Keywords:

Adsorption Cationic polymerization HOMO/LUMO Chemistry Nucleophile Electrophile Activated carbon Computational chemistry Carbon fibers Density functional theory Molecule Reactivity (psychology) Physical chemistry Thermodynamics Materials science Organic chemistry Physics

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Adsorption and biosorption for pollutant removal

Physical Sciences → Environmental Science → Water Science and Technology

Toxic Organic Pollutants Impact

Physical Sciences → Environmental Science → Health, Toxicology and Mutagenesis

Zeolite Catalysis and Synthesis

Physical Sciences → Chemistry → Inorganic Chemistry

Molecular modeling of anionic and cationic dyes adsorption on sludge derived activated carbon

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