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Star Polymer Translocation into a Spheroidal Cavity
Macromolecular Theory and Simulations ( IF 1.4 ) Pub Date : 2020-06-11 , DOI: 10.1002/mats.202000032
Karthik Nagarajan 1 , Shing Bor Chen 1
Affiliation  

Star polymer translocation into a spheroidal cavity has been studied using Langevin dynamics simulations. To isolate the effect of polymer architecture, the total number of monomers, N, is kept constant while the number of arms, f, is varied. For the special case of a spherical cavity, the mean translocation time, τ, exhibits nonmonotonic variation with f for large cavities, but decreases monotonically with f for sufficiently small cavities. The value of τ for a prolate cavity is generally similar to that for a spherical cavity of similar volume. In both cases, τ decreases monotonically with f for small cavities. In contrast, τ is significantly larger for an oblate cavity and exhibits nonmonotonic variation with f. If the attraction between the monomers and the cavity wall is sufficiently strong, the effect of cavity geometry largely vanishes and τ decreases monotonically with f, regardless of the cavity shape.

中文翻译:

星形聚合物易位成球形腔

使用Langevin动力学模拟研究了星形聚合物向球形腔的移位。为了隔离聚合物结构的影响,当臂数f变化时,单体总数N保持恒定。对于球形腔的特殊情况下,平均易位时间,τ,显示出与非单调变化˚F为大的腔,但与单调减小˚F为足够小的空腔。扁平腔的τ值通常与相似体积的球形腔的τ值相似。在两种情况下,τ随f单调递减用于小腔体。相反,对于扁圆腔,τ明显更大,并且随着f呈现非单调变化。如果单体和腔壁之间的吸引力足够强,则腔几何形状的影响将消失,并且τ随f单调减小,而与腔形状无关。
更新日期:2020-06-11
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