DWR-drag:新一代双壁环界面剪切流变仪数据分析软件

IF 3.9 2区 物理与天体物理 Q1 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Computer Physics Communications Pub Date : 2025-05-01 Epub Date: 2025-01-10 DOI:10.1016/j.cpc.2025.109499
Pablo Sanchez-Puga , Miguel A. Rubio
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引用次数: 0

摘要

双壁环(DWR)旋转配置是目前选择的仪器对于界面剪切流变仪(ISR)在旋转配置。在分析输出数据时,必须采用复杂的数值格式,以适当地处理界面与整体流体流动之间的耦合,并将界面响应的粘滞贡献和弹性贡献分离开来。本文提出了用DWR旋转流变仪进行小振幅振荡测量的界面剪切流变实验结果分析的第二代代码。本文提出的软件包通过实现:i)基于探针运动方程的物理驱动迭代方案,ii)增加用户可选择的空间分辨率,以及iii)环表面速度梯度的二阶近似,显着提高了以前可用软件包的精度和适用范围。此外,在许多情况下,优化计算工作允许在实际实验中实时执行数据采集。程序摘要程序标题:DWR-DragCPC库链接到程序文件:https://doi.org/10.17632/vw8k79tmr6.1Licensing条款:gplv3编程语言:MATLAB和python补充材料:作为补充材料,提供了关于流结构和使用的数值方法的详细信息的进一步软件测试的附加文档。问题性质:如何从实验数据中确定流体-流体界面的界面动力模量一直是流变学界的一个挑战,因为它需要i)准确地分离界面和相邻体相施加的阻力的贡献,以及ii)准确地分离界面响应的粘性和弹性贡献。此外,在大多数情况下,界面和体相速度分布不是线性的,因此简化界面和体相速度场的假设是无用的。求解方法:物理模型包括以牛顿流体(Navier-Stokes方程)表示的上下体流体相、剪切作用下粘弹性界面处的应力平衡(Boussinesq-Scriven方程)以及探针的运动方程。用二阶中心有限差分格式求解了流体动力学问题。通过基于环的横截面尺寸实现可选择的空间分辨率和通过接近环壁的速度梯度的二阶表示,探头上的阻力表示得到了很大的改进。迭代方案允许获得与实验数据(复振幅比)最匹配的流动构型,从而获得界面动态模量的最佳值,或者相当于界面复杂粘度。
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DWR-drag: A new generation software for the double wall-ring interfacial shear rheometer's data analysis
The double wall-ring (DWR) rotational configuration is nowadays the instrument of choice regarding interfacial shear rheometers (ISR) in rotational configurations. Complex numerical schemes must be used in the analysis of the output data in order to appropriately deal with the coupling between interfacial and bulk fluid flows, and to separate viscous and elastic contribution or the interfacial response. We present a second generation code for analyzing the interfacial shear rheology experimental results of small amplitude oscillatory measurements made with a DWR rotational rheometer. The package presented here improves significantly the accuracy and applicability range of the previous available software packages by implementing: i) a physically motivated iterative scheme based on the probe's equation of motion, ii) an increased user selectable spatial resolution, and iii) a second order approximation for the velocity gradients at the ring surfaces. Moreover, the optimization of the computational effort allows, in many cases, for on-the-fly execution during data acquisition in real experiments.

Program summary

Program Title: DWR-Drag
CPC Library link to program files: https://doi.org/10.17632/vw8k79tmr6.1
Licensing provisions: GPLv3
Programming language: MATLAB and Python
Supplementary material: An additional document illustrating further software tests regarding flow structure and details about the numerical method used is provided as a Supplementary Material.
Nature of problem: How to determine the interfacial dynamic moduli of fluid–fluid interfaces from experimental data has been a challenge in the rheologists community because it requires i) to accurately separate the contributions of the drags exerted by the interface and the adjacent bulk phases, and ii) to accurately separate the viscous and elastic contributions to the interface response. Moreover, in most cases, the velocity profiles at the interface and the bulk phases are not linear and, consequently, simplifying hypothesis about the interfacial and bulk phases velocity fields are useless.
Solution method: The physical model includes the upper and lower bulk fluid phases, represented as Newtonian fluids (Navier-Stokes equations), the equilibrium of stresses at a viscoelastic interface under shear (Boussinesq-Scriven equation), and the probe's equation of motion. The hydrodynamic problem is solved using a second order centered finite differences scheme. The representation of the drag on the probe is much improved by implementing a selectable spatial resolution based on the ring's cross-section dimension and by a second order representation of the velocity gradient close to the ring's walls. An iterative scheme allows for obtaining the flow configuration that best matches the experimental data (the complex amplitude ratio) and, consequently, the optimal value of the interfacial dynamic moduli or, equivalently, the interfacial complex viscosity.
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来源期刊
Computer Physics Communications
Computer Physics Communications 物理-计算机:跨学科应用
CiteScore
12.10
自引率
3.20%
发文量
287
审稿时长
5.3 months
期刊介绍: The focus of CPC is on contemporary computational methods and techniques and their implementation, the effectiveness of which will normally be evidenced by the author(s) within the context of a substantive problem in physics. Within this setting CPC publishes two types of paper. Computer Programs in Physics (CPiP) These papers describe significant computer programs to be archived in the CPC Program Library which is held in the Mendeley Data repository. The submitted software must be covered by an approved open source licence. Papers and associated computer programs that address a problem of contemporary interest in physics that cannot be solved by current software are particularly encouraged. Computational Physics Papers (CP) These are research papers in, but are not limited to, the following themes across computational physics and related disciplines. mathematical and numerical methods and algorithms; computational models including those associated with the design, control and analysis of experiments; and algebraic computation. Each will normally include software implementation and performance details. The software implementation should, ideally, be available via GitHub, Zenodo or an institutional repository.In addition, research papers on the impact of advanced computer architecture and special purpose computers on computing in the physical sciences and software topics related to, and of importance in, the physical sciences may be considered.
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