Green Innovations in Water and Wastewater Treatment: Mechanistic Insights and AI Integration

Abstract

 The pursuit of sustainable water purification technologies has catalyzed the emergence of green materials as high-performance alternatives to conventional synthetic agents. Sourced renewably and characterized by their biodegradability and low environmental toxicity, these advanced materials represent a paradigm shift in water treatment. This review highlights the exceptional potential of natural nanomaterials—including cellulose nanofibers, chitosan, alginate, and lignin—as well as their engineered composites, functionalized hydrogels, and aerogels for the highly efficient adsorption of heavy metals, dyes, and persistent organic contaminants. A critical analysis of contaminant removal mechanisms is presented, alongside the application of advanced modeling and optimization techniques. These computational tools are indispensable for predicting material properties, simulating molecular interactions, and tailoring bespoke solutions, thereby accelerating rational design. While challenges in scalability, synthesis cost, and real-world validation remain, this work concludes that the integration of green materials with cutting-edge computational models is pivotal for developing the next generation of efficient, sustainable, and environmentally benign water treatment systems, directly supporting global sustainable development and climate action goals.