Monte Carlo Simulation of Strain-Enhanced Stereocomplex Polymer Crystallization. 2018

Xinchao Guan, and Jiping Wang, and Wenbing Hu
Department of Polymer Science and Engineering, State Key Lab of Coordination Chemistry, School of Chemistry and Chemical Engineering , Nanjing University , Nanjing 210023 , China.

We performed dynamic Monte Carlo simulations to investigate strain-induced polymer crystallization under separate enhancements of the driving forces for homocomponent and stereocomplex crystallization in the half-half symmetric racemic polymer blends. The results showed that the polymer strain significantly enhances the stereocomplex crystallization, in comparison to the parallel cases of template-induced crystal growth without any strain in the previous simulations. We attributed the results to the strain-induced polymer crystallization favoring intermolecular crystal nucleation at high temperatures, which benefits the stereocomplex crystallization. Our observations provided a molecular-level interpretation to the strain- or shear-enhanced stereocomplex crystallization in the racemic polylactide blends.

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