Molecular Simulations of Polymer Crystallization

Molecular simulation is an effective and powerful method to study the microscopic mechanisms of polymer crystallization. Firstly, based on molecular simulation, some new theories about polymer crystallization were proposed, such as the intramolecular crystal nucleation mode. Secondly, some specific polymer crystallization processes can be detected at the molecular scale. For instance, the molecular mechanism for the nanohybrid shish-kebab structure can be revealed. The influences of some factors on stereocomplex crystallization can also investigated. Besides, the simulation results can provide strong microscopic evidence for the multi-scale and multi-step process of polymer crystallization induced by flow field.