Abstract
In addressing the environmental impact of açaí pulp production waste, this study explores the sustainable transformation of Euterpe oleracea fruit pits into activated carbon using a zinc chloride (ZnCl2) activation process. The primary aim is to repurpose this agricultural by-product for the efficient removal of atrazine (ATZ) and 2,4-dichlorophenoxyacetic acid (2,4-D) herbicides from contaminated water. The produced activated carbon demonstrated superior adsorptive properties, with a specific surface area (SBET) of 920.5 m2 g-1, substantial pore volume (Vp) of 0.467 cm3 g-1, and an average pore diameter (Dp) of 1.126 nm, showcasing its potential as an effective adsorbent. Experimental adsorption tests revealed that this carbonized material could remove up to 95% of ATZ and 89% of 2,4-D under optimized conditions. Advanced techniques, including Density Functional Theory (DFT) simulations and COSMO-RS analysis, provided profound insights into the adsorption mechanisms, particularly emphasizing the crucial role of hydrogen bonding interactions. Identified as key mediators, hydrogen bonding-induced contact energy facilitated herbicide adsorption, corroborated by Electron Localization Function (ELF) analysis. These findings not only suggest a viable method for mitigating the environmental issue posed by açaí pulp waste but also contribute to the development of eco-friendly adsorbents for water purification. The research underscores the potential of using biomass waste for environmental remediation, aligning with global sustainability objectives.
Published Version
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