Source of Processable Vitrimer Viscosities: Swap Frequencies and Steric Factors
Vitrimers exhibit high, processable viscosities, where other polymers do not, and are among
the most promising polymers for closed-loop material circularity. We sought to investigate …
the most promising polymers for closed-loop material circularity. We sought to investigate …
An integrated off-lattice kinetic Monte Carlo (KMC)-molecular dynamics (MD) framework for modeling polyvinyl chloride dehydrochlorination
FV Olowookere, CH Turner - Chemical Engineering Science, 2025 - Elsevier
In this study, a three-dimensional off-lattice kinetic Monte Carlo-Molecular Dynamics (KMC-
MD) simulation framework [Comp. Mat. Sci. 229, 112421 (2023)] is used to investigate the …
MD) simulation framework [Comp. Mat. Sci. 229, 112421 (2023)] is used to investigate the …