Enhancing the photocatalytic upcycling of polystyrene to benzoic acid: a combined computational-experimental approach for acridinium catalyst design
Albert Ong, Zi Cheng Wong, Kang Le Osmund Chin, Wei Wei Loh, Ming Hui Chua, Shi Jun Ang, Jason Y. C. Lim
Abstract
screening to predict the photocatalytic performance of a family of potential candidates. Through this approach, we identified a non-intuitive fluorinated acridinium catalyst that outperforms other candidates for converting polystyrene to benzoic acid in useful yields at low catalyst loadings (≤5 mol%). In addition, this catalyst also proved effective with real-life polystyrene waste containing dyes and additives. Our study underscores the potential of computer-aided catalyst design for valorizing polymeric waste into essential chemical feedstock for a more sustainable future.
Topics & Concepts
Benzoic acidCatalysisPolystyrenePhotocatalysisRational designChemistryPhotoredox catalysisCombinatorial chemistryMaterials scienceChemical engineeringOrganic chemistryNanotechnologyPolymerEngineeringAdvanced Photocatalysis TechniquesRadical Photochemical ReactionsTiO2 Photocatalysis and Solar Cells