Monte Carlo Simulation of Strain-Enhanced Stereocomplex Polymer Crystallization.
Xinchao Guan1, Jiping Wang1, Wenbing Hu1
1Department of Polymer Science and Engineering, State Key Lab of Coordination Chemistry, School of Chemistry and Chemical Engineering , Nanjing University , Nanjing 210023 , China.
The Journal of Physical Chemistry. B
|November 14, 2018
Summary
Polymer strain significantly boosts stereocomplex crystallization in racemic polymer blends. This occurs because strain promotes intermolecular crystal nucleation, offering insights into shear-enhanced crystallization.
Area of Science:
- Polymer Science
- Materials Science
- Crystallization Dynamics
Background:
- Racemic polymer blends exhibit complex crystallization behaviors.
- Stereocomplex crystallization is crucial for material properties.
- Understanding strain effects on crystallization is key for material design.
Purpose of the Study:
- To investigate strain-induced polymer crystallization in racemic polymer blends.
- To elucidate the role of polymer strain in enhancing stereocomplex crystallization.
- To provide a molecular-level understanding of strain- or shear-enhanced crystallization.
Main Methods:
- Dynamic Monte Carlo simulations were employed.
- Simulations focused on racemic polymer blends with enhanced driving forces for crystallization.
- Investigated both homocomponent and stereocomplex crystallization pathways.
Main Results:
- Polymer strain significantly enhances stereocomplex crystallization.
- Strain-induced crystallization favors intermolecular crystal nucleation at high temperatures.
- Observed a notable increase in stereocomplex crystallization compared to non-strained systems.
Conclusions:
- Strain plays a critical role in promoting stereocomplex crystallization in racemic polymer blends.
- Intermolecular nucleation driven by strain is a key mechanism at higher temperatures.
- Findings offer a molecular interpretation for strain- or shear-enhanced stereocomplex crystallization in polylactide blends.
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