Tackling the Forever Problem: Thermodynamic Solutions to PFAS Pollution

Per- and polyfluoroalkyl substances (PFAS) are highly persistent environmental contaminants with serious ecological and health risks. Their low concentrations and complex behavior make experimental analysis challenging, underscoring the need for reliable predictive modeling. This project aims to significantly improve the COSMO-RS thermodynamic model by incorporating more accurate descriptions of several key physical phenomena that govern PFAS behavior. Improved predictions of PFAS properties will support environmental assessments and the development of more effective remediation strategies. By developing an advanced computational tool, this research will reduce the reliance on costly experiments and provide a more efficient approach for studying and managing PFAS contamination.