Understanding the Role of Chemistry in the Monomer-to-Monomer Recycling of Circular Polymers скачать в хорошем качестве

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

Lennard-Jones Centre discussion group seminar by Dr Alex Epstein from the University of Cambridge. Monomer-to-monomer recycling is a promising solution to the global plastic pollution crisis but is not feasible for most conventional plastics due to the difficulty of selectively cleaving the carbon-carbon backbone. One solution is to design polymers to incorporate bonds that can be selectively broken in specific chemical processes. This talk demonstrates how computational tools can be used to develop mechanistic insights into how bond chemistry enables monomer-to-monomer recycling. Specifically, both classical and quantum methods are used to simulate the acid-catalyzed hydrolysis mechanism that enables recycling of a new polymer platform, poly(dikeotenamine)s (PDKs), which have been shown to display chemical circularity with over 90% monomer yield. It is found that the depolymerization rate of PDKs can be controlled through heteroatom and functional group substitutions on the monomer and crosslinker. This variance in depolymerization rate arises from unique mechanisms depending on the type and location of the chemical substitutions, and thus necessitates a range of computational approaches. By understanding how chemical bonding affects PDK recycling, the chemistry of PDKs is designed to target specific properties while retaining recyclability. Several cases are discussed in which computational and experimental design worked in close collaboration to develop diverse PDK formulations. The seminar was held on 19th February 2024. 🖥️ Check out our websites: https://linktr.ee/cumaterials