Competitive Adsorption Studies of Cd(II) and As(III) by Poly (Butylene Succinate) Microplastics: Based on Experimental and Theoretical Calculation

Microplastics (MPs) can serve as vectors for heavy metals in aquatic environments; however, the adsorption behavior of MPs on multiple heavy metal systems is still unclear. This study investigated the adsorption characteristics of biodegradable poly (butylene succinate) (PBS) for cadmium (Cd(II)) and arsenic (As(III)) in both single and binary systems. Adsorption isotherms were studied using the Linear, Langmuir, and Freundlich models, and further analysis of MPs adsorption characteristics was conducted using site energy distribution theory and density functional theory. The results indicate that the maximum adsorption capacities of PBS for Cd(II) and As(III) are 2.997 mg/g and 2.606 mg/g, respectively, with the Freundlich model providing the best fit, suggesting multilayer adsorption on heterogeneous sites. As(III) has a higher adsorption affinity for PBS than Cd(II), with a binding energy of −11.219 kcal/mol. Additionally, the adsorption mechanisms of Cd(II) and As(III) on PBS include electrostatic interactions and surface complexation, with the primary adsorption sites at the C=O of the carboxyl group and the hydroxyl group. The comprehension of interfacial interactions between biodegradable plastics and heavy metals is facilitated by a combination of theoretical calculations and experimental investigations.