Understanding the Role of Chemistry in the Monomer-to-Monomer Recycling of Circular Polymers

Explore a seminar by Dr. Alex Epstein from the University of Cambridge that delves into how computational tools can develop mechanistic insights for monomer-to-monomer recycling of circular polymers. Learn why this recycling approach offers a promising solution to plastic pollution, especially since conventional plastics with carbon-carbon backbones are difficult to recycle completely. Discover how both classical and quantum computational methods simulate the acid-catalyzed hydrolysis mechanism enabling the recycling of poly(dikeotenamine)s (PDKs), which demonstrate chemical circularity with over 90% monomer yield. The presentation explains how depolymerization rates can be controlled through heteroatom and functional group substitutions, resulting in unique mechanisms depending on chemical modifications. See real examples of how computational and experimental design collaborate to develop diverse PDK formulations with targeted properties while maintaining recyclability. This 18-minute Lennard-Jones Centre discussion group seminar was presented on February 19th, 2024, through Cambridge Materials.