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Different defect morphologies in polyethylene crystal induced by surface physicochemical properties

Chinese Chemical Letters 2020年第6期31卷 1640-1643页

作者： Yaqi Hou Yi Ye Zhongjie Du Chen Zhang Jianguo Mi Xu Hou State Key Laboratory of Organic-Inorganic Composites Beijing University of Chemical TechnologyBeijing 100029China Research Institute for Soft Matter and Biomimetics College of Physical Science and TechnologyXiamen UniversityXiamen 361005China State Key Laboratory of Physical Chemistry of Solid surfaces College of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005China College of Materials Science and Engineering Beijing University of Chemical TechnologyBeijing 100029China

The physicochemical properties of surfaces have a great effect on the micro-morphologies of the crystal structures which are in contact with *** the interaction mechanism between the internal driving forces of the crystal and external inducing forces of the surfaces is the prerequisite of controlling and obtaining the desirable *** this work,the dynamic density functional theory was applied to construct the free energy functional expression of polyethylene(PE)lattice,and the micro-dynamic evolution processes of PE lattice morphology near the surfaces with different properties were observed to reveal the interaction mechanism at atomic *** results showed that the physical and chemical properties of the external surfaces synergistically affect the morphologies in both the defect shapes and the distribution of the defect *** the absence of the contact surfaces,driven by the oriented interactions among different CH2 groups,PE lattices gradually grow and form a defect-free ***,the presence of contact surfaces leads to lattice defects in the interfacial regions,and PE lattice shows different self-healing abilities around different surfaces.

关键词： Physicochemical properties external surfaces Defect morphologies Polyethylene crystal Dynamic density functional theory Atomic scale

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