Project Details
Polymers are used in all corners of energy technologies such as nuclear, grid, transportation, microelectronics, mining, oil/gas, and many others. Polymer structure, composition, topology, and molecular weight control the properties of polymers. Precision synthesis of polymers for both polymerization and depolymerization will allow to precisely control such polymer properties. Thus, the overarching goal of this project is to unravel fundamental understanding of polymerization and depolymerization through mastering reaction equilibria of polymers. We hypothesize that understanding reaction equilibria in precision polymer synthesis will enable full control of polymerization/depolymerization thermodynamics and kinetics as well as polymer structure-property relationships. The new fundamental understanding of polymerization and depolymerization through mastering reaction equilibria provides a core foundation for establishing a resilient supply chain and competitive manufacturing. Especially, we are leveraging autonomous chemistry to unveil the mechanistic understanding of precision depolymerization and polymerization. Generated data are fed into an AI model to guide various parameters of the experiments for controlling reaction equilibria in precision polymer synthesis. Advancing understanding of polymerization/depolymerization thermodynamics and kinetics as well as polymer structure-property relationships using autonomous workflows with precision synthesis, neutron scattering, and multiscale modeling, will enable: 1) feedstock flexibility, allowing materials with similar properties to be incorporated into manufacturing processes when supply chains become stressed; and 2) recovery of critical materials and other valuable building blocks from materials designed for facile depolymerization.
