Quantum and experimental studies on the adsorption efficiency of oyster shell–based CaO nanoparticles (CaONPO) towards the removal of methylene blue dye (MBD) from aqueous solution

The significance of nanoparticles in environmental remediation of water pollution is attributed to their exceptional properties such as thermal stability, particle size, porosity, surface area and other properties. In this study, oyster shells were used as a precursor to synthesize CaO nanoparticles...

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Published in:Biomass conversion and biorefinery 2023-10, Vol.14 (24), p.31925-31948
Main Authors: Kelle, Henrietta Ijeoma, Ogoko, Emeka Chima, Akintola, Olumuyiwa, Eddy, Nnabuk Okon
Format: Article
Language:English
Subjects:
Biotechnology
Energy
Original Article
Renewable and Green Energy
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Summary:The significance of nanoparticles in environmental remediation of water pollution is attributed to their exceptional properties such as thermal stability, particle size, porosity, surface area and other properties. In this study, oyster shells were used as a precursor to synthesize CaO nanoparticles due to their high CaCO 3 content. The sol–gel method was employed. The synthesized nanoparticles exhibited strong thermal stability beyond 900 °C and exhibited λ max , BET surface area, BET volume and mesoporous pore dimension of 2.81 nm, 10.395 m 2 /g, 369.30 m 3 and 2.88 nm, respectively. The Langmuir maximum adsorption capacity was 333.33 mg/g, and the adsorption process showed strong dependence on time, temperature, pH, initial concentration of the dye and ionic strength. The adsorption of the dye best-fitted pseudo-second-order kinetic with a theoretical rate constant of 5.72 × 10 −4 /min. The best-fitted adsorption isotherm was the Langmuir adsorption model. Also, two- and three-parameter isotherms such as Redlich Peterson and Sipps were investigated to explore the adsorption behaviour of the dye. Based on the evaluated free and adsorption energies, the mechanism of physical adsorption was proposed. Theoretical parameters derived from quantum chemical calculations indicated strong agreement with experimental findings, such as the adsorption energy pointing to a physical adsorption mechanism. The CaONPS-O shows a strong tendency to be reused after washing and re-calcination. Graphical abstract
ISSN:2190-6815
2190-6823
DOI:10.1007/s13399-023-04947-7