GOALI: Computational and Experimental Discovery and Development of Additives for Novel Polymer Morphology and Performance
This project prototypes a new paradigm for the design and development of additives to manipulate polymer crystallization, create novel morphologies through crystallization behavior, and engineer properties through modification of semicrystalline morphology.Specifically, the effects of additives on crystallization of oligo-ethylene are assessed by molecular simulations. Various analytical techniques are employed to measure crystal nucleation and ultimate morphologies of selected polymer/additive combinations. An iterative process of simulation and experimental validation explains the behavior of existing additives and reveals potential new ones. This cycle of discovery leads to tailored additives and semicrystalline materials with exceptional combinations of thermal, mechanical and optical properties.