A computational framework for tuning intra- and intermolecular ductility in polyurethanes | Synapse
March 12, 2026Open Access
A computational framework for tuning intra- and intermolecular ductility in polyurethanes
Key Points
The aim is to develop a computational framework for enhancing the ductility of polyurethanes for better mechanical performance.
Developed a computational model to analyze polymer structure and mechanical properties.
Conducted simulations to evaluate the effects of molecular design on ductility.
Analyzed intermolecular and intramolecular interactions to inform framework adjustments.
Enhanced ductility was achieved through targeted molecular modifications.
The framework identified optimal configurations for improved mechanical performance.
Sustainability of polymer production was considered in the tuning process.
Abstract
The development of sustainably sourced polymers with robust mechanical properties is an important aspect of the challenge to mitigate the impact of plastic waste on the environment. However, with a...