Investigating the Adsorption Kinetics of Dimethoate, Malathion and Chlorpyrifos on Cellulose-Derived Activated Carbons: Understanding the Influence of Physicochemical Properties

In light of the escalating environmental concerns regarding pesticide accumulation, it is imperative to devise efficient strategies for their removal. Among the various options, activated carbons have emerged as promising candidates for adsorptive pesticide removal due to their many advantages, such as large surface area, well-developed porosity, and cost-effectiveness. However, the intricate relationship between the properties of these materials and their performance in pesticide adsorption remains largely unexplored. This study primarily focuses on examining the adsorption kinetics of three organophosphate pesticides: dimethoate, malathion (aliphatic), and chlorpyrifos (aromatic), using a range of cellulose-based activated carbon fibers with diverse specific surface areas, pore size distributions, and elemental compositions. By employing sophisticated data analysis tools, principal component analysis, and semi-empirical quantum chemical calculations, this study uncovers the importance of these distinct properties in efficiently removing structurally diverse pesticides. The results of the adsorption experiments suggested that these processes can be described using a pseudo-second-order kinetic model, which is confirmed via multiple linear regression. The obtained data suggest that the most effective carbon material for pesticide removal should have a pore diameter of approximately 4 nm, low oxygen content, a unimodal pore size distribution, and a high presence of sp2 domains. The insights from this research have the potential to guide the development of improved adsorbents and facilitate the rational selection of adsorbents tailored to specific pollutants based on their physicochemical properties and the pollutants' chemical structure. By shedding light on the vital connection between adsorbent properties and performance, our findings significantly advance sustainable and effective pesticide removal, thereby fostering a cleaner and healthier environment.