Intramolecular Crystal Nucleation Favored by Polymer Crystallization: Monte Carlo Simulation Evidence

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• 作者：Rong Zhang ; Liyun Zha ; Wenbing Hu
• 刊名：Journal of Physical Chemistry B
• 出版年：2016
• 出版时间：July 14, 2016
• 年：2016
• 卷：120
• 期：27
• 页码：6754-6760
• 全文大小：524K
• 年卷期：0
• ISSN：1520-5207

文摘

We performed dynamic Monte Carlo simulations of half–half binary blends of symmetric (double and mutual) crystallizable polymers. We separately enhanced the driving forces for polymer-uniform and polymer-staggered crystals. Under parallel enhancements, polymer-uniform crystals exhibit faster nucleation and growth, with more chain folding and less lamellar thickening, than those in polymer-staggered crystals. We attributed the results to intramolecular crystal nucleation, ruined by enhanced polymer-staggered crystallization. Our observations provide direct molecular-level evidence to support the fact that intramolecular crystal nucleation is favored by polymer crystallization in quiescent solutions and melt, which yields chain folding for the characteristic β-sheet or lamellar morphology of macromolecular crystals.