We request the allocation of computational resources to study polymer recyclability. Ring-opening polymerization (ROP) is a reversible type of polymerization, where synthesized polymers can be depolymerized into their constituent monomers simply by understanding the conditions required to favour either polymerization or depolymerization. The description of the ROP equilibrium is provided by the associated thermodynamics, the enthalpy and entropy of polymerization, which are generally derived through labour and chemical intensive wet-lab experimental work that has limited scientific progress. To accelerate this development, we recently developed a new method to derive the thermodynamics from molecular dynamics (MD) simulations (Macromolecules 2024, 57, 20, 9546–9554). In this proposed study we intend to enhance the size of our system to increase accuracy and investigate the thermodynamics of large number (>25) of different monomers using our MD model to gain better understanding of chemical structure – polymer recyclability relationships and draw conclusions on what makes polymers chemically more recyclable. The results are intended for publication in a scientific journal where NAISS will be acknowledge appropriately for contributions.