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Viscosity scaling and entangled solution rheology in aqueous and salt solutions of polyelectrolytes containing diallyl dimethylammonium groups 含二烯丙基二甲基铵基团的聚电解质水溶液和盐溶液中的粘度缩放和纠缠溶液流变学
IF 2.3 3区 工程技术 Q2 Engineering Pub Date : 2023-12-29 DOI: 10.1007/s00397-023-01428-6
Sedi Helsper, Nicholas Singlar, Andrew G. Garcia, Matthew W. Liberatore

Identifying the different concentration regimes in polyelectrolytes is helpful for tuning the viscosity in personal care products, as well as in creating other polymer materials, including anion exchange membranes. Viscosity scaling distinguishes various concentration regimes in polyelectrolyte solutions, which change in the presence of salt. Here, the first objective was to measure the viscosity scaling for two cationic polyelectrolytes in water, acid (0.1 M HCl), and salt (0.1 M NaCl) solutions. Two polymers containing the same cationic group were compared, namely, a copolymer poly(acrylamide-co-diallyldimethylammonium chloride) (PAAcDMAC) and a homopolymer poly(diallyldimethylammonium chloride) (PDADMAC). Polyelectrolyte concentrations from 0.25 to 18 wt% spanned from dilute to entangled concentration regimes depending on the polyelectrolyte. Acid and salt had comparable effects on the polyelectrolytes’ viscosity. Specifically, the viscosity of the PAAcDMAC in 0.1 M NaCl in the dilute region decreased by 57% compared to DI water. Since salt ions screen the electrostatic interactions, polymer chains assume a more compact conformation. Little difference in zero-shear viscosity existed in the semi-dilute regimes for DI water and 0.1 M NaCl solution of PAAcDMAC. However, zero-shear rate viscosity increased by up to 18% with salt addition in the entangled regime. Since the rheology of entangled polyelectrolytes has not been extensively studied, small and large amplitude oscillatory experiments were completed to elucidate differences in viscoelasticity upon the addition of salt. Subtle differences in viscoelastic properties of 18 wt% PAAcDMAC solution were found upon salt addition in entangled regime. For example, large amplitude oscillatory experiments measured changes in maximum and minimum storage moduli upon NaCl addition. Thus, a disproportional change to the elastic behavior was captured upon salt addition.

Graphical abstract

确定聚电解质的不同浓度状态有助于调整个人护理产品的粘度,也有助于制造其他聚合物材料,包括阴离子交换膜。粘度标度可区分聚电解质溶液中的各种浓度状态,这些浓度状态在盐的存在下会发生变化。在这里,第一个目标是测量两种阳离子聚电解质在水、酸(0.1 M HCl)和盐(0.1 M NaCl)溶液中的粘度缩放。比较了两种含有相同阳离子基团的聚合物,即共聚物聚(丙烯酰胺-共-二烯丙基二甲基氯化铵)(PAAcDMAC)和均聚物聚(二烯丙基二甲基氯化铵)(PDADMAC)。聚电解质的浓度从 0.25% 到 18% 不等,根据聚电解质的不同,浓度范围从稀释到缠结。酸和盐对聚电解质粘度的影响相当。具体来说,与去离子水相比,PAAcDMAC 在 0.1 M NaCl 稀释区的粘度降低了 57%。由于盐离子屏蔽了静电作用,聚合物链的构象更加紧凑。在半稀释状态下,去离子水和 PAAcDMAC 的 0.1 M NaCl 溶液的零剪切粘度差别不大。然而,在缠结体系中,零剪切速率粘度随着盐的添加增加了 18%。由于尚未对缠结聚电解质的流变学进行广泛研究,因此我们完成了小振幅和大振幅振荡实验,以阐明加盐后粘弹性的差异。研究发现,在缠结体系中添加盐后,18 wt% PAAcDMAC 溶液的粘弹性会出现细微差别。例如,大振幅振荡实验测得 NaCl 加入时最大和最小存储模量的变化。因此,加盐后弹性行为发生了不成比例的变化。
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引用次数: 0
Important changes for the journal 期刊的重要变化
IF 2.3 3区 工程技术 Q2 Engineering Pub Date : 2023-12-16 DOI: 10.1007/s00397-023-01427-7
Giovanni Ianniruberto
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引用次数: 0
Flow-induced phase phenomena in an entangled polyethylene/benzene solution under uniaxial elongational flow 单轴拉伸流动下缠结聚乙烯/苯溶液中的流动诱发相现象
IF 2.3 3区 工程技术 Q2 Engineering Pub Date : 2023-12-15 DOI: 10.1007/s00397-023-01423-x
Mohammad Hadi Nafar Sefiddashti, Brian J. Edwards, Bamin Khomami

Abstract

Flow-induced phenomena in entangled solutions of linear, monodisperse C(_{1000})H(_{2002}) polyethylene dissolved in benzene were simulated under steady-state and startup uniaxial elongational flow via nonequilibrium molecular dynamics at a concentration of (13.5c^*) of the coil-overlap concentration, (c^*). The simulations revealed that the solution exhibited a chemical phase separation of the polymer and solvent components when subjected to uniaxial extensional flow at extension rates faster than the inverse Rouse time of the solution, followed by flow-induced crystallization of the polymer-rich phase into fibrillar structures of roughly 50 Å in diameter. The polymer phase was generated by the migration of the polymer chains into locally concentrated domains due to the favorable energetics of the stretched polymer chains, which simultaneously resulted in the expulsion of the less energetically favorable solvent molecules, thus producing a configurationally-based flow-induced demixing effect of polymer and solvent.

Graphical abstract

AbstractFlow-induced phenomena in entangled solutions of linear, monodisperse C(_{1000})H(_{2002}) polyethylene dissolved in benzene were simulated under steady-state and startup uniaxial elongational flow via nonequilibrium molecular dynamics at a concentration of (13.5c^*) of the coil-overlap concentration, (c^*)。模拟结果表明,当溶液受到单轴拉伸流动时,聚合物和溶剂成分会发生化学相分离,拉伸速率快于溶液的逆劳斯时间,随后富含聚合物的相在流动诱导下结晶成直径约为 50 Å 的纤维状结构。聚合物相的产生是由于拉伸聚合物链的有利能量导致聚合物链迁移到局部集中的畴,同时导致能量较低的溶剂分子被排出,从而产生了基于构型的流动诱导聚合物和溶剂的去混合效应。
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引用次数: 0
Expanding the understanding of squeeze flow with pressure mapping and application for concentrated suspensions 通过压力绘图和浓缩悬浮液的应用扩展对挤压流的理解
IF 2.3 3区 工程技术 Q2 Engineering Pub Date : 2023-12-14 DOI: 10.1007/s00397-023-01426-8
Franco A. Grandes, Fábio A. Cardoso, Rafael G. Pileggi

Squeeze flow has been proven as an interesting technique for the rheological evaluation of many classes of materials, being relatable to common compressive phenomena from various processing and application procedures. Despite the simplicity of the experimental setup needed to run it, the results from the test are rather complex, involving multiple variables and factors that are not fully clarified by the bulk stress response. One additional piece of information that can be valuable is the pressure distribution over the sample area, since it is related to key aspects of the flow. The addition of a pressure mapping system to the traditional setup of the test has been recently proposed as a way to enrich the information obtained, in a method deemed pressure mapped squeeze flow (PMSF). This paper presents the evolution and state of the art of this technique, and analyzes a plastic clay with two different water contents in three displacement rates to demonstrate the potential and possibilities that PMSF offers. The experimental setup is presented in detail, along with the calibration procedure and data treatment suggested, as well as multiple types of analyses including bulk stress curves, raw pressure distribution plots, measured contact area, evolution of the mean profile, comparison to theoretical models supported by error analysis, and investigation of variation over the area. With the procedure established and presented in this work, it should be possible to apply PMSF as a valuable technique throughout the materials science and engineering community.

挤压流已被证明是一种有趣的技术,用于许多类别的材料的流变性评估,与各种加工和应用程序中的常见压缩现象相关。尽管运行它所需的实验设置很简单,但测试的结果相当复杂,涉及多个变量和因素,而这些变量和因素并没有完全由体应力响应来澄清。另一个有价值的信息是样品区域上的压力分布,因为它与流动的关键方面有关。最近,人们提出在传统的测试设置中增加压力映射系统,以丰富所获得的信息,这种方法被称为压力映射挤压流(PMSF)。本文介绍了该技术的发展和现状,并分析了一种具有两种不同含水量的塑性粘土在三种驱替速率下的潜力和可能性。详细介绍了实验设置、校准程序和建议的数据处理,以及多种类型的分析,包括体应力曲线、原始压力分布图、测量接触面积、平均剖面的演变、与误差分析支持的理论模型的比较以及面积变化的调查。随着这项工作中建立和提出的程序,PMSF应该可以作为一种有价值的技术应用于整个材料科学和工程社区。
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引用次数: 0
Nonlinear modification of the Rouse model constraining volume conservation of deforming chains 约束变形链体积守恒的劳斯模型的非线性修正
IF 2.3 3区 工程技术 Q2 Engineering Pub Date : 2023-12-07 DOI: 10.1007/s00397-023-01424-w
Youngdon Kwon

Recent experimental observation in fast extensional flow of polymer melts and solutions displayed as presence and absence of viscosity thinning, respectively, has necessitated and also initiated nonlinear modification of the Rouse model, the fundamental molecular model for unentangled polymeric liquids. On that account, concept of reduction of bead friction is introduced in the form of variable friction coefficient (zeta (t)) sometimes with corresponding variation of the Brownian force. This work presents mathematical constraint based on reasonable assumptions for volume conservation of deforming chains and accordingly formulates the rheological constitutive equation. The equation of constraint for volume conservation possibly relieves in part the complication introduced by the friction reduction and intrinsic flow-induced anisotropy in nonlinear modification of the Rouse model. The suggested constitutive equation expresses description in simple rheometric flows quite similar to that of the previous model with B-variation given by Sato et al. (2021) when both are formulated with effects of finite extensibility (FENE) and friction reduction. In addition, the molecular dynamics simulation demonstrates possible validity of the current hypothesis, the constraint of chain volume conservation.

Graphical abstract

最近对聚合物熔体和溶液快速延伸流动的实验观察分别表明,存在和不存在粘度变薄现象,这就有必要对单缠聚合物液体的基本分子模型--劳斯模型进行非线性修正。因此,以可变摩擦系数(zeta (t))的形式引入了珠子摩擦力减小的概念,有时布朗力也会发生相应的变化。本研究基于变形链体积守恒的合理假设,提出了数学约束条件,并据此制定了流变构成方程。体积守恒的约束方程可能会部分缓解在非线性修正 Rouse 模型时由摩擦减少和内在流动引起的各向异性所带来的复杂性。当 Sato 等人(2021 年)提出的具有 B 变量的简单流变流模型和具有有限延伸性(FENE)和摩擦减小效应的模型时,所建议的构成方程所表达的描述非常相似。此外,分子动力学模拟还证明了当前假设--链体积守恒约束--的可能有效性。
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引用次数: 0
Hydrodynamical characteristics of a pair of elliptical squirmers in a channel flow of power-law fluids 幂律流体通道流中一对椭圆蠕动器的流体力学特性
IF 2.3 3区 工程技术 Q2 Engineering Pub Date : 2023-12-05 DOI: 10.1007/s00397-023-01420-0
Chen Liu, Jianzhong Lin, Zhenyu Ouyang

The locomotion state and motion type of elliptical squirmers in a channel flow of power-law fluids are simulated numerically. Three locomotion states (independent, coupled, related) and three types of motions (upstream, intermediate, downstream) for pairs of squirmers are found and identified. The effect of height difference (0.5 ~ 10) between the initial positions of two squirmers, aspect ratio (0.3 ~ 1.0), particle Reynolds numbers (0.5 ~ 10), self-propelling strength of the squirmers (− 9 to 9), and power-law index (0.4 ~ 1.5) of the fluid on the locomotion state and motion type of a pair of squirmers are explored, and the corresponding hydrodynamical characteristics are analyzed in detail. Head-to-head coupled structures and body-to-body coupled structures are observed for a pair of pullers and a pair of pushers, respectively. It is found that coupled structures are easy to be broken for squirmers with larger aspect ratio or larger particle Reynolds number and self-propelling strength. The movement characteristics of squirmers are closely related to the initial positions of squirmers in strong shear-thinning fluid, but not to the initial positions in strong shear-thickening fluid. The dependence of viscosity on shear will also significantly affect the flow velocity, thus changing the motion type of squirmers.

Graphical Abstract

对幂律流体通道流中椭圆形蠕动体的运动状态和运动类型进行了数值模拟。发现并确定了成对蠕动器的三种运动状态(独立、耦合、相关)和三种运动类型(上游、中间、下游)。探讨了两个蠕动体初始位置的高度差(0.5 ~ 10)、长宽比(0.3 ~ 1.0)、粒子雷诺数(0.5 ~ 10)、蠕动体的自推进强度(- 9 ~ 9)和流体的幂律指数(0.4 ~ 1.5)对一对蠕动体的运动状态和运动类型的影响,并详细分析了相应的流体力学特性。分别观察了一对拉手和一对推手的头对头耦合结构和身体对身体耦合结构。研究发现,对于具有较大长径比或较大颗粒雷诺数和自推进强度的蠕动器,耦合结构很容易被打破。蠕动体的运动特性与蠕动体在强剪切稀化流体中的初始位置密切相关,但与在强剪切增稠流体中的初始位置无关。粘度对剪切力的依赖性也会显著影响流速,从而改变蠕动体的运动类型。
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引用次数: 0
Machine learning methods for particle stress development in suspension Poiseuille flows 悬浮泊泽维尔流中颗粒应力发展的机器学习方法
IF 2.3 3区 工程技术 Q2 Engineering Pub Date : 2023-12-02 DOI: 10.1007/s00397-023-01413-z
Amanda A. Howard, Justin Dong, Ravi Patel, Marta D’Elia, Martin R. Maxey, Panos Stinis

Numerical simulations are used to study the dynamics of a developing suspension Poiseuille flow with monodispersed and bidispersed neutrally buoyant particles in a planar channel, and machine learning is applied to learn the evolving stresses of the developing suspension. The particle stresses and pressure develop on a slower time scale than the volume fraction, indicating that once the particles reach a steady volume fraction profile, they rearrange to minimize the contact pressure on each particle. We consider the timescale for stress development and how the stress development connects to particle migration. For developing monodisperse suspensions, we present a new physics-informed Galerkin neural network that allows for learning the particle stresses when direct measurements are not possible. We show that when a training set of stress measurements is available, the MOR-physics operator learning method can also capture the particle stresses accurately.

采用数值模拟方法研究了单分散和双分散中性浮力颗粒在平面通道中形成的悬浮液泊泽维尔流的动力学,并应用机器学习方法学习形成的悬浮液应力的演化过程。颗粒应力和压力的发展速度比体积分数慢,这表明一旦颗粒达到稳定的体积分数曲线,它们会重新排列以最小化每个颗粒的接触压力。我们考虑了应力发展的时间尺度以及应力发展与颗粒迁移的关系。为了开发单分散悬浮液,我们提出了一种新的物理信息Galerkin神经网络,可以在无法直接测量时学习粒子应力。我们表明,当应力测量训练集可用时,莫尔物理算子学习方法也可以准确地捕获颗粒应力。
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引用次数: 1
A web-based intelligent calculator for predicting viscosity of ethylene–glycol–based nanofluids using an artificial neural network model 基于网络的基于人工神经网络模型的预测乙二醇基纳米流体粘度的智能计算器
IF 2.3 3区 工程技术 Q2 Engineering Pub Date : 2023-12-01 DOI: 10.1007/s00397-023-01425-9
Walaeddine Maaoui, Zouhaier Mehrez, Mustapha Najjari

This study presents the development of an artificial neural network (ANN) model to predict the viscosity of ethylene–glycol based nanofluids with different types of nanoparticles using four input parameters: nanoparticle type, size, concentration, and temperature of measurement. The model was trained and validated using 470 experimental measurements. The ANN model demonstrated high accuracy in predicting the viscosity of nanofluids. The obtained statistical error metrics between the measured and predicted values of viscosity were found to be very low. MAPE values were equal to 1.19% and 2.33% for training and testing respectively. The developed model can help researchers to better understand EG-based nanofluids viscosity behavior, and this could be considered as a good step forward to help researchers design new nanofluids with enhanced properties. To make the model more accessible for engineers and researchers, a user-friendly web application was developed using Angular and Django, allowing users to input parameters and obtain viscosity predictions without dealing with complex code. The web application offers multiple output options, including figures, tables, and Excel files. This multidisciplinary research study combines web technology, data science, and fluid mechanics to provide a valuable tool to predict nanofluids’ viscosity for different input parameters.

Graphical abstract

本研究提出了一种人工神经网络(ANN)模型,通过四个输入参数:纳米颗粒类型、大小、浓度和测量温度,来预测具有不同类型纳米颗粒的乙二醇基纳米流体的粘度。通过470个实验测量对模型进行了训练和验证。人工神经网络模型在预测纳米流体粘度方面具有较高的准确性。得到的粘度实测值与预测值之间的统计误差指标非常低。训练和测试的MAPE值分别为1.19%和2.33%。所建立的模型可以帮助研究人员更好地理解基于egg的纳米流体的粘度行为,这可以被认为是帮助研究人员设计具有增强性能的新型纳米流体的良好一步。为了让工程师和研究人员更容易使用该模型,我们使用Angular和Django开发了一个用户友好的web应用程序,允许用户输入参数并获得粘度预测,而无需处理复杂的代码。web应用程序提供多种输出选项,包括图形、表格和Excel文件。这项多学科研究结合了网络技术、数据科学和流体力学,为预测不同输入参数下纳米流体的粘度提供了有价值的工具。图形抽象
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引用次数: 0
A novel approach for the fractional SLS material model experimental identification 分数阶SLS材料模型实验识别的新方法
IF 2.3 3区 工程技术 Q2 Engineering Pub Date : 2023-12-01 DOI: 10.1007/s00397-023-01422-y
Stefano Amadori, Giuseppe Catania

A multi-step, iterative technique for the local non-parametric identification of the standard linear solid (SLS) material model employing fractional order time differential operators is presented. Test input data consists of a set of identified material complex modulus values estimated at different frequency values, obtained from input–output experimental measurements made on a material specimen by means of forced harmonic excitation and from experimental measurements made on the same specimen in quasi-static relaxation conditions. The proposed technique is mainly based on an algebraic procedure leading to the solution of an overdetermined system of linear equations, in order to get the optimal value of the model unknown parameters. The procedure is non-parametric, since the SLS model order is initially unknown. The optimal model size can be found by evaluating the stability properties of the solution associated to any model size and by automatically discarding computational, non-physical contributions. The identification procedure is first validated by means of numerically simulated test data from within known model examples, and then it is applied to some experimentally obtained test data associated to different materials.

提出了一种采用分数阶时间微分算子的多步迭代方法,用于标准线性固体(SLS)材料模型的局部非参数辨识。测试输入数据包括在不同频率值下估计的一组已识别的材料复模量值,这些数据来自于在强迫谐波激励下对材料试样进行的输入-输出实验测量,以及在准静态松弛条件下对同一试样进行的实验测量。该方法主要基于求解超定线性方程组的代数过程,以得到模型未知参数的最优值。该过程是非参数的,因为SLS模型的顺序最初是未知的。通过评估与任何模型大小相关的解决方案的稳定性特性,并通过自动丢弃计算的非物理贡献,可以找到最佳模型大小。首先通过已知模型算例的数值模拟试验数据验证了识别方法,然后将其应用于与不同材料相关的一些试验数据。
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引用次数: 0
Study of the electroosmotic flow of a structured fluid with a new generalized rheological model 用一种新的广义流变模型研究结构流体的电渗透流动
IF 2.3 3区 工程技术 Q2 Engineering Pub Date : 2023-11-27 DOI: 10.1007/s00397-023-01418-8
E. E. Herrera-Valencia, M. L. Sánchez-Villavicencio, C. Soriano-Correa, O. Bautista, L.A. Ramírez-Torres, V. J. Hernández-Abad, F. Calderas

The electroosmotic flow of a viscoelastic fluid in a capillary system was investigated analytically. The rheology of the fluid was characterized by a novel generalized exponential model equation. The charge density obeys the Boltzmann distribution, which governs the electrical double-layer field and body force generated by the applied electrical field. Mathematically, this scenario can be modeled by the Poisson-Boltzmann partial differential equation, by assuming that the zeta potential is small, i.e., less than 25 mV (Debye-Hückel approximation). Considering a pulsating electric field, the shear viscosity and the alteration in the volumetric flow were presented as a function of the material parameters through the characteristic dimensionless numbers by using an exponential-type generalized rheological model. Thixotropy, shear thinning, yield stress mechanisms, and weight concentration were analyzed through numerical results. Finally, the flow properties and rheology were predicted using experimental data reported elsewhere for worm-like micellar solution of cetyl trimethyl ammonium tosilate (CTAT). The rheological equation of state proposed in this study describes the alterations in the structure resulting from applied forces (tangential and normal). These forces induced a structural evolution (kinetic model) due to the relaxation processes caused by shear strain. It is important to mention that in electroosmotic flows, complex behavior such as (i) thixotropy, (ii) rheopexy, and (iii) shear banding flow is scarcely explained in terms of the change in the structure of the fluid under flow.

Graphical Abstract

对粘弹性流体在毛细管系统中的电渗透流动进行了分析研究。用一种新的广义指数模型方程描述了流体的流变特性。电荷密度服从玻尔兹曼分布,玻尔兹曼分布支配着双电层场和外加电场产生的体力。数学上,这种情况可以通过泊松-玻尔兹曼偏微分方程来建模,假设zeta电位很小,即小于25 mV (debye - h ckel近似)。在脉动电场作用下,采用指数型广义流变模型,通过特征无因次数将剪切粘度和体积流动变化表示为材料参数的函数。通过数值结果分析了触变性、剪切变薄、屈服应力机制和重量集中。最后,利用其他地方报道的实验数据预测了虫状十六烷基三甲基甲硅酸铵胶束溶液的流动特性和流变性。本研究提出的流变状态方程描述了由施加的力(切向力和法向力)引起的结构变化。由于剪切应变引起的松弛过程,这些力诱发了结构演化(动力学模型)。值得一提的是,在电渗透流动中,复杂的行为,如(i)触变性,(ii)流变性和(iii)剪切带流动,几乎不能用流动下流体结构的变化来解释。图形抽象
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引用次数: 0
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Rheologica Acta
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