Multiscale flow simulations of dilute polymeric solutions with bead-rod chains using Brownian configuration fields

IF 4.3 3区 材料科学 Q1 ENGINEERING, ELECTRICAL & ELECTRONIC ACS Applied Electronic Materials Pub Date : 2024-10-09 DOI:10.1016/j.amc.2024.129091
Andreas Meier, Eberhard Bänsch, Florian Frank
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Abstract

We couple the momentum and mass balance equations with the bead-rod chain model (Kramers chain) to simulate non-Newtonian polymeric fluids using finite elements and the Brownian configuration field method. A suitable rod-length preserving discretization is presented, which is based on the ideas of Liu's algorithm [28] and generalized into the finite-element context. Additional details concerning the parallelization of the Brownian configuration field part of the simulation are discussed to achieve outstanding code runtimes on large computation clusters. The novel coupling enables the investigation of how the bead-rod chains influence the fluid flow. This is done with proof-of-concept simulations for the start-up shear flow and flow around a cylinder scenario in 2D that serve as a reference for future research. In the start-up shear flow scenario, the velocity overshoot effect, which is typical for polymeric fluids, is successfully demonstrated. In the more challenging flow around a cylinder scenario, we numerically confirm the viscoelastic drag reduction phenomenon by comparing the drag coefficients with a purely Newtonian Navier–Stokes solution.
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利用布朗构型场对带有珠棒链的稀聚合物溶液进行多尺度流动模拟
我们将动量和质量平衡方程与珠棒链模型(克拉默链)结合起来,使用有限元和布朗构型场方法模拟非牛顿流体。本文介绍了一种合适的杆长保留离散化方法,该方法基于刘氏算法[28]的思想,并将其推广到有限元环境中。此外,还讨论了模拟的布朗构型场部分的并行化细节,以便在大型计算集群上实现出色的代码运行时间。通过这种新颖的耦合,可以研究珠子-杆链如何影响流体流动。为此,我们对启动剪切流和环绕圆柱体的二维流动情景进行了概念验证模拟,为今后的研究提供参考。在启动剪切流情况下,成功证明了速度过冲效应,这是聚合物流体的典型特征。在更具挑战性的绕圆柱体流动场景中,我们通过将阻力系数与纯牛顿纳维-斯托克斯解进行比较,从数值上证实了粘弹性阻力减小现象。
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CiteScore
7.20
自引率
4.30%
发文量
567
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