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Influence of the carbon nanofiller surface curvature on the initiation of crystallization in thermoplastic polymers

机译：碳纳米填料表面曲率对热塑性聚合物结晶起始的影响

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Experimental results have shown that graphitizated carbon nanofibers initiate crystallization in R-BAPB polyimides twice as fast as single-wall carbon nanotubes (CNT) leading to the hypothesis that nanofiller curvature influences polyimide crystallization. Therefore, atomistic molecular-dynamics simulations have been performed for R-BAPB in the presence of a flat graphene sheet and the results were compared with those obtained in the presence of a small-radius CNT. The polyimide chain segments tend to lie parallel to the nanofiller surface and this tendency is stronger and the segments are closer to the graphene surface than to the CNT one. Moreover, the density of the polyimide in the near-surface layer is higher for composites filled with graphene than with CNT. This confirms the assumption that the nanofiller surface curvature is indeed a factor influencing the polymer patterning structure, and that a smaller curvature (i.e. flat surface) provides an enhanced initiation of polymer ordering.
机译：实验结果表明，石墨化的碳纳米纤维在R-BAPB聚酰亚胺中引发结晶的速度是单壁碳纳米管（CNT）的两倍，从而得出了纳米填料曲率影响聚酰亚胺结晶的假设。因此，在平面石墨烯片的存在下对R-BAPB进行了原子分子动力学模拟，并将结果与​​在小半径CNT的存在下获得的结果进行了比较。聚酰亚胺链段趋于平行于纳米填料表面，并且这种趋势更强，并且该段比与CNT相比更靠近石墨烯表面。此外，填充石墨烯的复合材料在近表面层中的聚酰亚胺的密度高于CNT。这证实了以下假设：纳米填料表面曲率确实是影响聚合物构图结构的因素，并且较小的曲率（即平坦的表面）提供了增强的聚合物有序化的起始。

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