Application of Mangifera indica (mango) seeds as a biosorbent for removal of Victazol Orange 3R dye from aqueous solution and study of the biosorption mechanism

[Display omitted] ► Mango seed used in its natural and protonated form as biosorbents. ► Characterization of biosorbents by FTIR, SEM, BET and BJH techniques. ► A new general order kinetic equation developed to fit the experimental results. ► Mechanism of adsorption evaluated using computational sim...

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Bibliographic Details
Published in:Chemical engineering journal (Lausanne, Switzerland : 1996) Switzerland : 1996), 2012-10, Vol.209, p.577-588
Main Authors: Alencar, Wagner S., Acayanka, Elie, Lima, Eder C., Royer, Betina, de Souza, Felipe E., Lameira, Jerônimo, Alves, Cláudio N.
Format: Article
Language:English
Subjects:
Adsorption
Applied sciences
Aqueous solutions
Biological and medical sciences
biosorbents
Biosorption
Biotechnology
Chemical engineering
Computational simulation
Computer simulation
Contact
desorption
Dyes
Exact sciences and technology
Food engineering
Food industries
food industry
Fundamental and applied biological sciences. Psychology
General aspects
General order kinetic equation
infrared spectroscopy
Isotherms
Mangifera indica
Mango seed
mangoes
Methods. Procedures. Technologies
Molecular dynamics
nitrogen
Nonlinear isotherm fitting
Others
Scanning electron microscopy
Seeds
Thermodynamics
Various methods and equipments
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Summary:[Display omitted] ► Mango seed used in its natural and protonated form as biosorbents. ► Characterization of biosorbents by FTIR, SEM, BET and BJH techniques. ► A new general order kinetic equation developed to fit the experimental results. ► Mechanism of adsorption evaluated using computational simulation. ► Water plays important role in the interaction between dye and biosorbent. Mango seed, an abundant residue of the food industry, was used in its natural form (MS) and protonated form (AMS) as a biosorbent for the removal of Victazol Orange 3R (VO-3R) dye from its aqueous solutions. These biosorbents were characterized by infrared spectroscopy (FTIR), scanning electron microscopy (SEM), and by nitrogen adsorption/desorption curves. Optimization of the effects of the initial pH of the dye solution, biosorbent dosage and contact time between the dye and the biosorbents on the biosorption capacities of the biosorbents was studied. Based on an error function (Ferror), the general order kinetic model provided the best fit to the experimental data when compared to the pseudo-first order and pseudo-second order kinetic biosorption models. The equilibrium data were fitted to Langmuir, Freundlich and Liu isotherm models. For both biosorbents, the equilibrium data were best fitted to the Liu isotherm model. Finally, the mechanism of biosorption involving VO-3R and lignin–cellulose was evaluated using the hybrid quantum mechanical/molecular mechanical (QM/MM) approach and molecular dynamic (MD) simulations. The results suggest that water molecules play a key role in the biosorption process.
ISSN:1385-8947
1873-3212
DOI:10.1016/j.cej.2012.08.053