AIDING SUSTAINABLE COMPOSITES DEVELOPMENT WITH SIMULATION OF NATURAL FIBERS

Natural fibers have gained interest as potential components to improve the overall sustainability of composite materials. However, natural fibers have unique challenges and cannot be simply substituted for carbon or glass fibers. Better understanding of how natural fibers behave with standard and new resins, along with how they can degrade can help to reduce the risk in transitioning to these new materials. Molecular scale simulation is a powerful tool to provide that understanding. The interaction between resin and natural fibers as well as the impact of compatibilizers are important in designing a composite formulation for use with natural fibers. The degradation of natural fiber chemistry, cellulose, is also insightful as part of the recycling potential for natural fiber composites. This study will present molecular level simulations that address both the natural fiber composite mechanical properties, as well as degradation of cellulose. These findings highlight the impact of molecular simulations to bridge the connection between molecular level interactions and design considerations in natural fiber composites, aiding in the design of more sustainable composites.