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Entanglement Reduction Induced by Geometrical Confinement in Polymer Thin Films
Macromolecules ( IF 5.1 ) Pub Date : 2018-11-28 00:00:00 , DOI: 10.1021/acs.macromol.8b01884
Nicolás A. García 1 , Jean-Louis Barrat 1, 2
Macromolecules ( IF 5.1 ) Pub Date : 2018-11-28 00:00:00 , DOI: 10.1021/acs.macromol.8b01884
Nicolás A. García 1 , Jean-Louis Barrat 1, 2
Affiliation
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We report simulation results on melts of entangled linear polymers confined in a free-standing thin film. We study how the geometric constraints imposed by the confinement alter the entanglement state of the system compared to the equivalent bulk system using various observables. We find that the confinement compresses the chain conformation uniaxially, decreasing the volume pervaded by the chain, which in turn reduces the number of the accessible interchain contact that could lead to entanglements. This local and nonuniform effect depends on the position of the chain within the film. We also test a recently presented theory that predicts how the number of entanglements decreases with geometrical confinement.
中文翻译:
聚合物薄膜中几何限制引起的缠结减少
我们报告模拟结果限制在独立的薄膜中纠缠的线性聚合物的熔体。与使用各种可观测量的等效体系统相比,我们研究了由限制施加的几何约束如何改变系统的纠缠状态。我们发现,限制作用会单轴压缩链构象,从而减少了链所渗透的体积,进而减少了可导致纠缠的可访问链间接触的数量。这种局部和不均匀的作用取决于薄膜中链的位置。我们还测试了最近提出的理论,该理论预测纠缠数如何随几何限制而减少。
更新日期:2018-11-28
中文翻译:
![](https://scdn.x-mol.com/jcss/images/paperTranslation.png)
聚合物薄膜中几何限制引起的缠结减少
我们报告模拟结果限制在独立的薄膜中纠缠的线性聚合物的熔体。与使用各种可观测量的等效体系统相比,我们研究了由限制施加的几何约束如何改变系统的纠缠状态。我们发现,限制作用会单轴压缩链构象,从而减少了链所渗透的体积,进而减少了可导致纠缠的可访问链间接触的数量。这种局部和不均匀的作用取决于薄膜中链的位置。我们还测试了最近提出的理论,该理论预测纠缠数如何随几何限制而减少。