Designing Sustainable Bio-Carbons for PFASs Degradation: A Review of Physicochemical, Computational, and Life-Cycle Synergies

Abstract

Per- and polyfluoroalkyl substances (PFASs) are persistent contaminants in water, driving an urgent need for sustainable and efficient remediation technologies amid increasingly stringent regulations. This review examines the design principles governing sustainable waste-derived biocarbons as adsorbents and catalytic supports for PFAS removal and destruction. Also, the review examines how key physicochemical and interfacial properties, such as surface area, pore structure, surface charge, and functional groups, govern PFAS adsorption, degradation, and reactivity. Tailored biocarbon interfaces are shown to overcome key limitations of conventional sorbents, including granular activated carbon (GAC), particularly for short-chain PFAS. Computational materials design plays a central role in this framework. Density functional theory (DFT) based simulations and emerging machine-learning approaches are reviewed as tools to elucidate PFAS-surface interactions and guide rational sorbent design. It summarizes engineered biocarbons exhibiting enhanced PFAS adsorption, degradation, and regeneration performance, including adsorption-photodegradation synergy and emerging field-scale filtration applications. By integrating experimental findings, computational design, and life cycle assessment (LCA) and life cycle cost analysis (LCCA) metrics, this review highlights the potential of sustainable biocarbon systems to reduce energy demand, environmental footprint, and operational costs while advancing scalable and eco-friendly PFAS remediation technologies toward real-world implementation.