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SELF-HEALABLE COPOLYMERS VIA VAN DER WAALS INTERACTIONS

机译:通过VAN DER WALLOON相互作用的自修复共聚物

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In these studies we developed fluoro-containing copolymers that for well-defined monomer molar ratios exhibit autonomous self-healing. This behavior is attributed to inter-digitated copolymer topologies facilitated by van der Waals (vdW) interactions. The main feature of vdW interactions is large polarizability (hydrophobicity) which in thermoplastic polymers leads to non-directional interactions between neighboring macromolecular segments. However, dipole-dipole directionality of the side groups can be enhanced by alternating/random copolymer compositions resulting from inter-chain vdW forces. Upon mechanical damage macromolecular segments will energetically favor original inter-chain conformations and return to original conformations, thus self-heal. Using chemical imaging (IR) and ~1H NMR spectroscopy (NOESY, COSY) through-space and through-bond interactions were identified and used as input to molecular dynamic (MD) simulations in an effort to identify molecular events governing self-healing behavior.
机译:在这些研究中,我们开发了含氟共聚物,对于明确定义的单体摩尔比,含氟共聚物表现出自主的自我修复作用。此行为归因于范德华(vdW)相互作用促进的叉指状共聚物拓扑结构。 vdW相互作用的主要特征是极化率大(疏水性),这在热塑性聚合物中会导致相邻大分子链段之间发生非定向相互作用。然而,通过链间vdW力产生的交替/无规共聚物组合物可以增强侧基的偶极-偶极方向性。在机械损伤时,大分子片段将在能量上有利于原始链间构象并返回原始构象,从而自我修复。使用化学成像(IR)和〜1H NMR光谱(NOESY,COSY),可以确定贯穿空间和贯穿键的相互作用,并将其用作分子动力学(MD)模拟的输入,以识别控制自我修复行为的分子事件。

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