A DFT study on poly(lactic acid) polymorphs

Poly(lactic acid) (PLA) can crystallize in α-, β-, γ- and stereocomplex (sc)- forms. It has been shown that the formation of stereocomplex between poly(l-lactic acid) and poly(d-lactic acid) significantly improve thermal stability and mechanical properties. However the mechanisms of enhancements are still unclear. In this study, we investigate the PLA polymorphs from the first-principles theoretical perspective in order to understand the...