Conformation and dynamics of ring polymers under symmetric thin film confinement

聚合物 戒指(化学) 平面的 化学物理 材料科学 分子动力学 单体 动力学(音乐) 线型聚合物 密闭空间 纳米技术 高分子化学 计算化学 化学 复合材料 物理 有机化学 声学 计算机图形学(图像) 计算机科学
作者
Tianren Zhang,Karen I. Winey,Robert A. Riggleman
出处
期刊:Journal of Chemical Physics [American Institute of Physics]
卷期号:153 (18): 184905-184905 被引量:10
标识
DOI:10.1063/5.0024729
摘要

Understanding the structure and dynamics of polymers under confinement has been of widespread interest, and one class of polymers that have received comparatively little attention under confinement is that of ring polymers. The properties of non-concatenated ring polymers can also be important in biological fields because ring polymers have been proven to be a good model to study DNA organization in the cell nucleus. From our previous study, linear polymers in a cylindrically confined polymer melt were found to segregate from each other as a result of the strong correlation hole effect that is enhanced by the confining surfaces. By comparison, our subsequent study of linear polymers in confined thin films at similar levels of confinements found only the onset of segregation. In this study, we use molecular dynamics simulation to investigate the chain conformations and dynamics of ring polymers under planar (1D) confinement as a function of film thickness. Our results show that conformations of ring polymers are similar to the linear polymers under planar confinement, except that ring polymers are less compressed in the direction normal to the walls. While we find that the correlation hole effect is enhanced under confinement, it is not as pronounced as the linear polymers under 2D confinement. Finally, we show that chain dynamics far above Tg are primarily affected by the friction from walls based on the monomeric friction coefficient we get from the Rouse mode analysis.

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