MD Simulation of PLA-PEG Composites for Additive Manufacturing

Poly-lactic acid (PLA) is the most promising polymer in additive manufacturing as an alternative to acrylonitrile butadiene styrene (ABS). Since it is produced from renewable resources such as corn starch and sugar beets, it is also biocompatible and biodegradable. However, PLA has a couple of issues that limit its use. First, it has a comparatively low glass transition temperature of around 60 & DEG;C, such that it exhibits low thermal resistance. Second, PLA has low impact strength because it is brittle. Due to these problems, scientists have found methods to improve the crystallinity and ductility of PLA. Polyethylene glycol (PEG) is one of the most studied plasticizers for PLA to give it chain mobility. However, the blend of PLA and PEG becomes unstable, and phase separation occurs even at room temperature as PEG is self-crystallized. Thus, it is necessary to investigate the optimal mixing ratio of PLA-PEG at the molecular scale. In this study, molecular dynamics will be conducted with various ratios of L-type PLA (PLLA) or DL-type PLA-PEG (PDLA-PEG) systems by using BIOVIA Materials Studio.