Study on the performance of the acetylated bamboo fiber/PBS composites by molecular dynamics simulation

A hypothesis, the mechanical properties, interfacial linkage, crystallization, and thermal stability between acetylated bamboo fiber (Ac-BF) and poly (butylene succinate) (PBS) matrix were significantly affected by the interactions between Ac-BF and PBS composites, was proposed based on the molecular dynamics simulation technique. Thereafter, SEM, XRD, TG and mechanical testing were employed to certify the above hypothesis. However, Ac-BF/PBS composite showed better stability than that of BF/PBS due to the lower mixing energy and Flory-Huggins interaction parameters (χ). Further, strong van der Waals (VdW) interaction, hydrogen-bond interaction and physical adsorption existed between functional groups of composites. The tensile strength and the initial decomposition temperature (T_d-5%) of Ac-BF/PBS increased by 18% and 12.2℃, respectively, due to the fiber acetoxylation.