Flow-induced translocation of polymers through a fluidic channel: A dissipative particle dynamics simulation study
Flow-induced translocation of polymers through a fluidic channel: A dissipative particle dynamics simulation study
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流动引起的聚合物通过流体通道的易位：耗散粒子动力学模拟研究
DOI：
10.1063/1.3578180
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发表时间：
2011-04-07
影响因子：
4.4
通讯作者：
Liang, Haojun
中科院分区：
文献类型：
--
作者：
Guo, Jiayi;Li, Xuejin;Liang, Haojun
通过耗散粒子动力学（DPD）方法研究了流动引起的聚合物通过流体通道易位的动力学。与隐式溶剂模型不同，通过在该方法中结合显式溶剂粒子，可以自然地保留多体能量和流体动力学相互作用。改进的 DPD 方法中采用了无滑移壁边界和自适应边界条件来模拟流体通道特定壁结构内的流体动力流动并控制颗粒的密度波动。结果表明，平均易位时间与聚合物链长度的关系满足类似于 N-1.152 的 tau 幂律缩放。我们的模拟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，即单列易位事件和双折叠易位事件。这些发现可能有助于理解此类聚合物和/或 DNA 分子在易位过程中的构象和动态行为。 (C) 2011 年美国物理研究所。 [号码：10.1063/1.3578180]
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 tau similar to 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. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3578180]