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首页> 外文期刊>The Journal of Chemical Physics >Flow-induced translocation of polymers through a fluidic channel: A dissipative particle dynamics simulation study
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Flow-induced translocation of polymers through a fluidic channel: A dissipative particle dynamics simulation study

机译:流致聚合物通过流体通道的易位:耗散粒子动力学模拟研究

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The dynamics of flow-induced translocation of polymers through a fluidic channel has been studied by dissipative particle dynamics (DPD) approach. Unlike implicit solvent models, the many-body energetic and hydrodynamic interactions are preserved naturally by incorporating explicit solvent particles in this approach. The no-slip wall boundary and the adaptive boundary conditions have been implemented in the modified DPD approach to model the hydrodynamic flow within a specific wall structure of fluidic channel and control the particles density fluctuations. The results show that the average translocation time versus polymer chain length satisfies a power-law scaling of τ ~ N ~(1.152). The conformational changes and translocation dynamics of polymers through the fluidic channel have also been investigated in our simulations, and two different translocation processes, i.e., the single-file and double-folded translocation events, have been observed in detail. These findings may be helpful in understanding the conformational and dynamic behaviors of such polymer and/or DNA molecules during the translocation processes.
机译:通过耗散粒子动力学(DPD)方法研究了聚合物通过流体通道的流动诱导的位错动力学。与隐式溶剂模型不同,通过在此方法中加入显式溶剂粒子,自然保留了多体能量和水动力相互作用。在改进的DPD方法中已实现了防滑壁边界和自适应边界条件,以对流体通道的特定壁结构内的流体动力流进行建模,并控制颗粒密度波动。结果表明,平均移位时间对聚合物链长的满足幂律定律为τ〜N〜(1.152)。在我们的模拟中,还研究了聚合物通过流体通道的构象变化和易位动力学,并详细观察了两种不同的易位过程,即单排和双折易位事件。这些发现可能有助于理解此类聚合物和/或DNA分子在转运过程中的构象和动力学行为。

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