Abstract
AbstractWe have used molecular dynamics simulations with a coarse‐grained model to study the effect of a particle on the crystallization of polymer melt. We analyzed in particular a bond order parameter to characterize the nucleation and crystallization process. Our calculations show that the presence of a particle modifies the free energy landscape of polymer melts, locally induces the ordering of polymer melts near the particle surface, and thus enhances the polymer crystallization. Because the interaction between the particle and polymers is repulsive, our results suggest that the origin of the enhancement for polymer crystallization is entropic. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 2161–2166, 2007
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