Tethered flexible polymer under oscillatory linear flow

IF 4.6 Q2 MATERIALS SCIENCE, BIOMATERIALS ACS Applied Bio Materials Pub Date : 2024-07-25 DOI:10.1016/j.apnum.2024.07.009
A. Lamura
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引用次数: 0

Abstract

The non-equilibrium structural and dynamical properties of a flexible polymer tethered to a reflecting wall and subject to oscillatory linear flow are studied by numerical simulations. Polymer is confined in two dimensions and is modeled as a bead-spring chain immersed in a fluid described by the Brownian multiparticle collision dynamics. At high strain, the polymer is stretched along the flow direction following the applied flow, then recoils at flow inversion before flipping and elongate again. When strain is reduced, it may happen that the chain recoils without flipping when the applied shear changes sign. Conformations are analyzed and compared to stiff polymers revealing more compact patterns at low strains and less stretched configurations at high strain. The dynamics is investigated by looking at the center-of-mass motion which shows a frequency doubling along the direction normal to the external flow. The center-of-mass correlation function is characterized by smaller amplitudes when reducing bending rigidity.

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振荡线性流下的系链柔性聚合物
通过数值模拟研究了系在反射壁上并受振荡线性流影响的柔性聚合物的非平衡结构和动力学特性。聚合物被限制在二维范围内,并被模拟为浸没在布朗多粒子碰撞动力学描述的流体中的珠链。在高应变条件下,聚合物沿流动方向随外加流动而拉伸,然后在流动反转时反冲,然后再次翻转并拉长。当应变减小时,当外加剪切力改变符号时,可能会发生链反冲而不翻转的情况。对构型进行了分析,并与刚性聚合物进行了比较,结果表明在低应变时,构型更为紧凑,而在高应变时,构型的拉伸程度较低。通过观察质量中心的运动来研究其动力学,该运动沿外部流动的法线方向显示出频率加倍。在降低弯曲刚度时,质量中心相关函数的振幅较小。
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来源期刊
ACS Applied Bio Materials
ACS Applied Bio Materials Chemistry-Chemistry (all)
CiteScore
9.40
自引率
2.10%
发文量
464
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