Interplay of Adsorption and Semiflexibility: Structural Behavior of Grafted Polymers under Poor Solvent Conditions
Interplay of Adsorption and Semiflexibility: Structural Behavior of Grafted Polymers under Poor Solvent Conditions
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DOI：
10.1021/acs.macromol.6b02738
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发表时间：
2017-05-23
期刊：
影响因子：
5.5
通讯作者：
Janke, Wolfhard
中科院分区：
文献类型：
--
作者：
Austin, Kieran S.;Zierenberg, Johannes;Janke, Wolfhard
我们分析了接枝到不可渗透表面的孤立半柔性聚合物的结构行为。采用并行多规范算法，我们发现纯熵和有吸引力的表面聚合物相互作用具有丰富的相行为。相应的构象范围从非常紧凑的构象到折叠束，再到吸附和解吸的弱弯曲杆。聚合物接枝到平坦的、非相互作用的表面的情况与完全游离且分离的聚合物的情况仅略有不同。引入表面吸引力，我们发现低于吸附转变温度，较硬的聚合物被完全吸附并限制在有效的二维构象空间中。根据最近的实验结果，这最终适用于增加表面吸引力的整个半柔性范围。
We analyze the structural behavior of isolated semiflexible polymers grafted to an impenetrable surface. Employing a parallel multicanonical algorithm, we find a rich phase behavior for both purely entropic and attractive surface-polymer interactions. The corresponding conformations range from very compact ones, to folded bundles, to adsorbed and desorbed weakly bent rods. The case of a polymer grafted to a flat, noninteracting surface differs only marginally from the case of a completely free and isolated polymer. Introducing surface attraction, we find that below the adsorption transition temperature stiffer polymers are completely adsorbed and confined to an effectively two-dimensional conformation space. This ultimately holds true over the full range of semiflexibility for increasing surface attraction, in accordance with recent experimental findings.