纳米通道流动中聚合物链行为的耗散粒子动力学模拟

M. Darbandi, S. Jafari, R. Zakeri
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引用次数: 1

摘要

我们使用耗散粒子动力学(DPD)方法来模拟聚合物链的构型变化,其两端固定在纳米通道中,受到流体颗粒的大块运动的影响。我们的目的是找出聚合物链曲率与平均流速大小之间的合适关系。在这方面,我们引入了一些能有效影响聚合物链曲率的重要参数,并考察了它们的大小对聚合物链挠度的影响。事实上,我们的主要目标是量化一些主要流动参数之间的关系,可能与不同的聚合物链性质有关。例如,我们证明了不同流速对聚合物链曲率的影响是不同的。本研究结果为设计合适的流量传感器来测量纳米通道流动特性开辟了新的思路。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Dissipative particle dynamics simulation of a polymer chain behavior fixed in a nanochannel flow
We use the Dissipative Particle Dynamics (DPD) method to simulate the variation in the configuration of a polymer chain, whose two ends are fixed in a nanochannel, subject to bulk motion of fluid particles. We aim to find suitable relations between the polymer chain curvature and the mean flow velocity magnitudes. In this regard, we introduce some important parameters, which can effectively affect the polymer chain curvature and we examine their magnitudes on the amount of polymer chain deflection. In fact, our main objective is to quantify the relation between some major flow parameters, possibly with different polymer chain properties. For example, we show that different flow velocity magnitudes affect the polymer chain curvature differently. The results of this research open some new perspectives toward designing suitable flow sensors to measure flow characteristics in nanochannel flow applications.
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