Polymer Institute, Slovak Academy of Sciences, Dúbravská cesta 9, 845 41 Bratislava 45, Slovakia.
J Chem Phys. 2013 May 14;138(18):184904. doi: 10.1063/1.4803674.
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.
相对于之前的研究，我们将聚合物线圈在明渠中的分离研究从柔性链扩展到半柔性链。我们的结果基于在通道中模拟链的约束自由能和直接模拟线圈分离过程。对于约束自由能，我们确认了随着链刚度的增加，无论是弱约束还是强约束，都会出现相反的趋势。两种不同方法的结果是一致的，与理论分析一致，表明在通道中柔性链相对于半柔性链具有更强的分离倾向，无论是在程度上还是在动力学上。
