Abstract
The development of technologies for the removal of dye from aqueous solution is most desirable if the end product is relatively green (i.e., environmentally friendly). Photodegradation (as one of such technology) and photolysis (without the catalyst) was applied to investigate the role of sol-gel synthesized calcium oxide nanoparticle (using the oyster shell as the precursor). The results obtained gave substantial evidence that calcium oxide nanoparticles catalyzed the degradation of the methylene blue dye up to a maximum percentage of 98 % removal. Degradation efficiency displayed a strong dependency on time, initial dye concentration, catalyst load, pH, and ionic strength. Chi-square and sum of square error analysis indicated that the photodegradation kinetics fitted the Langmuir-Hinshelwood, first order, and pseudo first-order models best. The half-life of the dye was significantly reduced from hours to minutes due to photocatalysis. Quantum chemical calculations indicated that the degradation proceeded through adsorption, deformation/degradation, and desorption through the chloride end of the molecule linked to the calcium active center of the catalyst. Results from Fukui functions and molecular descriptors analysis confirmed the mechanism of photocatalysis.
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The research work that generated this publication was fully sponsored by the Tertiary Education Trust Fund of Nigeria (TETFUND) through the National Research grant (2020) with Prof. Nnabuk Okon Eddy as the Principal investigator.
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All authors contributed to the study conception, design, literature review, experimental work, and analysis. The first draft of the manuscript was written by Nnabuk Okon Eddy, Richard Alexis Ukpe, Paul Ameh, Rapheal Ogbodo, Rajni Garg, and Rishav Garg. All authors read, edited, and approved the final manuscript. Computational Chemistry calculations and discussion were performed by Prof. Nnabuk Okon Eddy.
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Eddy, N.O., Ukpe, R.A., Ameh, P. et al. Theoretical and experimental studies on photocatalytic removal of methylene blue (MetB) from aqueous solution using oyster shell synthesized CaO nanoparticles (CaONP-O). Environ Sci Pollut Res 30, 81417–81432 (2023). https://doi.org/10.1007/s11356-022-22747-w
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DOI: https://doi.org/10.1007/s11356-022-22747-w