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首页> 外文期刊>The Journal of Chemical Physics >Segregation of semiflexible macromolecules in nanochannel
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Segregation of semiflexible macromolecules in nanochannel

机译:半柔性大分子在纳米通道中的分离

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摘要

Investigation of segregation of polymer coils in open channel was extended relative to previous studies from flexible chains to semiflexible chains. Our results are based on simulation of confinement free energy of a chain in channel and on direct simulation of coil segregation process. For confinement free energy, we confirm the predicted opposite trend with increasing chain stiffness for the weak and for strong confinement regimes. Results of two different approaches are consistent, in agreement with theoretical analysis and indicate a stronger segregation tendency of flexible chains in channel relative to semiflexible chains both in its extent and dynamics.
机译:相对于以前的研究,从开放链到半柔性链的研究扩展了明渠中聚合物盘管的分离研究。我们的结果基于通道中链的约束自由能的模拟和线圈偏析过程的直接模拟。对于约束自由能,我们确认了在弱约束和强约束条件下,链刚度增加时所预测的相反趋势。两种不同方法的结果是一致的,与理论分析一致,并且表明通道中的柔性链相对于半柔性链在其范围和动力学上均具有更强的偏析趋势。

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