Effects of Graphite and Plasticizers on the Structure of Highly Entangled Polyisoprene Melts,ACS Applied Polymer Materials

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Effects of Graphite and Plasticizers on the Structure of Highly Entangled Polyisoprene Melts
ACS Applied Polymer Materials ( IF 4.4 ) Pub Date : 2020-01-08 , DOI: 10.1021/acsapm.9b00815
G. Giunta ₁ , C. Svaneborg ₂ , H. A. Karimi-Varzaneh ₃ , P. Carbone ₁

Affiliation

Using a simple and efficient way to optimize a chemically specific bead-and-spring model for polymer/surface systems, we analyze the structural properties of high molecular weight polyisoprene (PI) in contact with graphite. We find that in the vicinity of the graphite the adsorbed PI chains assume a pancake structure and are highly packed and highly entangled. The addition of plasticizers even with moderate surface affinity guarantees an almost complete surface coverage and forces the polymer chains to detach from the surface and to become less entangled. The softening effect of the plasticizers is observed also in bulk when they are added to the system but are not adsorbed on the surface. Finally, we show that the definition of the thickness of the interface is not unambiguous but depends on the observable used to characterized the melt: it is function of the polymer molecular weight if defined looking at the chain conformation, but it becomes independent of the polymer chain length if defined looking at the entanglement density.

中文翻译：

石墨和增塑剂对高纠缠度聚异戊二烯熔体结构的影响

使用一种简单有效的方法来优化聚合物/表面系统的化学特定的珠和弹簧模型，我们分析了与石墨接触的高分子量聚异戊二烯（PI）的结构特性。我们发现，在石墨附近，吸附的PI链呈薄饼状结构，并且高度堆积和缠结。即使具有适度的表面亲和力，增塑剂的加入也可以确保几乎完全的表面覆盖，并迫使聚合物链从表面脱离并减少缠结。当将增塑剂添加到系统中但未吸附在表面上时，也可大量观察到它们的软化效果。最后，我们表明界面厚度的定义不是明确的，而是取决于可用于表征熔体的可观察性：

更新日期：2020-01-08

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