Computational study of eco-friendly PFOA extraction via matrine-based low melting mixture

Abstract

Per- and polyfluoroalkyl substances (PFAS) are synthetic chemicals widely used in industrial applications and consumer products for their exceptional stability and resistance to degradation. However, these same properties make PFAS persistent environmental pollutants, posing significant risks to human health and ecosystems. Conventional methods for PFAS removal from contaminated water such as activated carbon adsorption, ion exchange, and advanced oxidation processes, have limitations, including high costs, energy requirements, and incomplete degradation. In response to these challenges, Deep Eutectic Solvents (DESs) and Low Melting Mixtures (LMMs) have emerged as promising alternatives. This study explores the use of matrine-based hydrophobic LMM for the extraction of PFAS from polluted water. Matrine, an alkaloid derived from Sophora flavescens, enables the formation of hydrophobic LMM with tunable properties that enhance PFAS extraction efficiency. The unique characteristics of LMM, including biodegradability, low volatility, and selective interaction with PFAS suggest they could provide a more sustainable and effective solution for PFAS remediation. This paper investigates the potential of matrine-based hydrophobic LMM and other similar LMMs with enhanced environmental and toxicological profiles, as well as their additional effectiveness in extracting PFAS from polluted water. The research operates within the Safe an Sustainable by Design (SSbD) paradigm, assessing potential environmental and toxicological issues of the proposed solution. The aim is to contribute to the development of innovative and environmentally friendly approaches for addressing the persistent problem of PFAS contamination in water.