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Solute dispersion in a permeable capillary with wall exchange: Darcy flow model 具有壁交换的可渗透毛细管中溶质弥散:达西流动模型
IF 2.2 4区 工程技术 Q2 MECHANICS Pub Date : 2024-12-29 DOI: 10.1007/s13367-024-00116-y
Ashis Kumar Roy, O. Anwar Bég, Sachin Shaw, Lazaro Revocatus Mashiku, Tasveer A. Bég

Complex chemical reactions and hydrodynamic dispersion feature in many aspects of hemodynamics. Motivated by examining the reactive phase change dispersion in perfusion, a mathematical study is presented for solute dispersion in incompressible laminar blood flow through a straight circular capillary with a permeable wall (enabling lateral movement across the vessel fenestrations in perfusion and associated with the presence of the endothelial layer). The boundary condition at the vessel wall is considered a reversible phase exchange process based on first-order chemical kinetics. Darcy’s law is deployed to feature the permeability nature of the capillary. A multiple-scale asymptotic analysis is developed, and a non-dimensional transverse averaged “macro-transport” equation for convective diffusion–dispersion is derived. Expressions are then presented for the advection coefficient and Taylor dispersion coefficient. Numerical evaluation of the impact of key control parameters i.e., permeability parameter, pressure parameter, retention parameter (α), Damköhler number (Da) on dispersion coefficient, advection coefficient and leading order concentration of the solute is conducted, and solutions are visualized graphically both for small and large times. The novelty of the present work is, therefore, the collective consideration of complex wall permeability and pressure difference in addition to boundary reaction and Darcian body force effects. The analysis shows that the dispersion coefficient is initially enhanced gradually with an increment in the retention parameter with its initial small value and thereafter exhibits a smooth decay. The hydrodynamic dispersion coefficient markedly decreases with higher values of the permeable parameter. A higher magnitude of dispersion coefficient is computed at the vessel inlet and then decreases towards the outlet. A boost in the leading order concentration of the solute is computed at small times but is stabilized and eventually remains invariant with time. The axial velocity is found to depend strongly on the axial position in the capillary. A displacement in concentration peaks is also observed which is attributable to advection along the axial direction, and the decreasing peaks with respect to time are due to the diffusion of the solute from the fluid phase to the vessel wall. Generally, it is also observed that retention enhances the chemical reaction effect, leading to a greater loss of solute over time. The simulations are relevant to chemo-hemodynamics and also may find applications in drug delivery (pharmacodynamics).

Graphical abstract

复杂的化学反应和流体动力学弥散在血流动力学的许多方面都具有特点。在研究灌注中反应性相变弥散的激励下,提出了一项数学研究,研究了不可压缩层流中溶质弥散通过具有渗透性壁的直圆形毛细血管(允许在灌注中穿过血管开窗的横向运动,并与内皮层的存在有关)。基于一级化学动力学,容器壁边界条件被认为是可逆的相交换过程。达西定律被用来描述毛细管的渗透性。建立了一种多尺度渐近分析方法,导出了对流扩散-色散的无量纲横向平均“宏观输运”方程。然后给出了平流系数和泰勒色散系数的表达式。对渗透率参数、压力参数、截留参数(α)、Damköhler数(Da)等关键控制参数对溶质弥散系数、平流系数和阶浓度的影响进行了数值评价,并进行了小次和大次求解。因此,本工作的新颖之处在于,除了边界反作用力和达西体力效应外,还集体考虑了复杂的壁透性和压差。分析表明,随着保持参数的增加,色散系数开始逐渐增大,初始值较小,之后呈平稳衰减。随着渗透参数的增大,水动力弥散系数明显减小。在容器入口处计算较高的弥散系数,然后在出口处减小。在很小的时间内计算溶质的一级浓度的提高,但它是稳定的,并最终随时间保持不变。发现轴向速度在很大程度上取决于毛细管的轴向位置。还观察到浓度峰的位移,这是由于沿轴向的平流,而随时间的减少峰是由于溶质从流体相扩散到血管壁。通常,还可以观察到,保留增强了化学反应效果,导致溶质随着时间的推移损失更大。模拟与化学血流动力学相关,也可以在药物传递(药效学)中找到应用。图形抽象
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引用次数: 0
Solution rheology of poly(ionic liquid)s: current understanding and open questions 聚离子液体的溶液流变学:目前的认识和有待解决的问题
IF 2.2 4区 工程技术 Q2 MECHANICS Pub Date : 2024-12-14 DOI: 10.1007/s13367-024-00115-z
Atsushi Matsumoto

Poly(ionic liquid)s are ion-containing polymers possessing ionic liquid structures on their repeating units. Owing to the unique physicochemical properties of ionic liquids, many existing studies have found that the properties of poly(ionic liquid)s are distinct from those of conventional ion-containing polymers, such as poly(sodium styrene sulfonate). A lot of scientific efforts have been made to understand the relationship between the chemical structure and the material properties of poly(ionic liquid)s, and several good review papers are available in the literature. The aim of this short review is to summarize key results on the viscoelastic properties of poly(ionic liquid)s in solution. We discuss in detail the counterion condensation and the charge screening in poly(ionic liquid) solutions.

Graphical Abstract

聚(离子液体)是在重复单元上具有离子液体结构的含离子聚合物。由于离子液体具有独特的物理化学性质,许多现有的研究发现,聚离子液体的性质不同于传统的含离子聚合物,如聚苯乙烯磺酸钠。人们对聚离子液体的化学结构与材料性能之间的关系进行了大量的科学研究,并发表了一些较好的综述论文。本文综述了聚离子液体在溶液中粘弹性方面的主要研究成果。详细讨论了多离子液体溶液中的反离子缩合和电荷筛选。图形抽象
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引用次数: 0
Flow-induced demixing of polyisoprene/poly(4-tert butyl styrene) with high dynamic contrast 流动诱导高动态对比聚异戊二烯/聚(4-叔丁基苯乙烯)的脱混
IF 2.2 4区 工程技术 Q2 MECHANICS Pub Date : 2024-11-25 DOI: 10.1007/s13367-024-00114-0
Zonghao Hong, Shilong Wu, Quan Chen

This study places a focus on flow-induced demixing of polyisoprene (PI) and poly(4-tert butyl styrene) (PtBS) polymer blends with high dynamic contrast. The rheological response is governed by the more immobilized PtBS chains. In contrast, the dielectric response at low frequency reflects exclusively the normal mode of PI chains having type-A dipole parallel along the chain backbone. These features enable selective detection of the component dynamics of PtBS or PI chains under either the small amplitude oscillatory shear or the nonlinear steady shear through a combination of rheological and dielectric techniques. We find the Cox–Merz rule fails significantly for the PtBS/PI blends, which is attributed to flow-induced demixing when the shear rate is higher than the relaxation rate of PtBS chains and lower than that of PI chains. The flow-induced demixing is further supported by varying the molecular parameters of PtBS, copolymerizing PtBS with polystyrene, as well as by the rheo-dielectric measurements that show a broadening of the PI relaxation mode distribution. This demixing could be partly driven by the increased conformational entropy of the PI chains after segregation from the surrounding restrictive PtBS chains.

Graphical abstract

本研究的重点是高动态对比的聚异戊二烯(PI)和聚(4-叔丁基苯乙烯)(PtBS)聚合物共混物的流动诱导脱混。流变反应是由固定化的PtBS链控制的。相反,低频时的介电响应只反映沿链主链平行的a型偶极子的PI链的正态模式。通过流变学和介电技术的结合,这些特性可以选择性地检测PtBS或PI链在小振幅振荡剪切或非线性稳态剪切下的组分动态。我们发现Cox-Merz规则在PtBS/PI共混物中明显失效,这是由于剪切速率高于PtBS链的松弛速率而低于PI链的松弛速率时流动引起的脱混。通过改变PtBS的分子参数,PtBS与聚苯乙烯的共聚,以及通过流变介电测量显示PI弛豫模式分布的拓宽,进一步支持了流动诱导的脱混。这种分离可能部分是由于PI链与周围限制性PtBS链分离后的构象熵增加所致。图形抽象
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引用次数: 0
Recent developments on multiscale simulations for rheology and complex flow of polymers 聚合物流变和复杂流动的多尺度模拟研究进展
IF 2.2 4区 工程技术 Q2 MECHANICS Pub Date : 2024-10-24 DOI: 10.1007/s13367-024-00112-2
Takeshi Sato, Kenji Yoshimoto

This review summarized the multiscale simulation (MSS) methods for polymeric liquids. Since polymeric liquids have multiscale characteristics of monomeric, mesoscopic, and macroscopic flow scales, MSSs that relate different hierarchical levels are adequate to reproduce flow properties accurately. Our review includes pioneering studies to the most advanced MSS studies on rheology predictions and flow simulations of polymeric liquids. We discuss two major types of MSS methods: the bottom-up and model-embedded MSS methods. The former method mainly connects all-atom molecular dynamics models and mesoscopic models to predict rheological properties. In contrast, the latter method, where a microscopic or mesoscopic model is embedded in a macroscopic computational domain, is designed to predict macroscopic flow properties. Finally, we also discuss MSS methods using machine learning techniques.

Graphical abstract

综述了聚合物液体的多尺度模拟方法。由于聚合物液体具有单体、介观和宏观流动尺度的多尺度特征,涉及不同层次水平的mss足以准确再现流动特性。我们的回顾包括最先进的MSS研究在流变学预测和流动模拟聚合物液体的开创性研究。我们讨论了两种主要类型的MSS方法:自底向上和模型嵌入的MSS方法。前一种方法主要是将全原子分子动力学模型和介观模型结合起来预测流变性能。相比之下,后一种方法是将微观或介观模型嵌入宏观计算域中,旨在预测宏观流动特性。最后,我们还讨论了使用机器学习技术的MSS方法。图形抽象
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引用次数: 0
A review on rheological approaches as a perfect tool to monitor thermal degradation of biodegradable polymers 流变学方法是监测可生物降解聚合物热降解的理想工具
IF 2.2 4区 工程技术 Q2 MECHANICS Pub Date : 2024-10-21 DOI: 10.1007/s13367-024-00111-3
Reza Salehiyan, Sanaz Soleymani Eil Bakhtiari

This review provides an in-depth analysis of the thermal degradation of biodegradable polymers through rheological methods. Focusing on key techniques such as time sweep tests, frequency sweep tests, and nonlinear rheological analyses gained at higher shear tests, the review highlights how these approaches offer critical insights into polymer stability and degradation kinetics. It entails an understanding of how molecular weight reduction, a common degradation mechanism, significantly impacts the performance of biodegradable polymers, and how the use of appropriate fillers can enhance thermal stability by mitigating chain scission. The review also discusses the application of the Arrhenius equation in modelling thermal degradation, helping predict degradation rates and optimize processing conditions. Time sweep tests are particularly emphasized for their ability to monitor polymer stability under various environmental conditions, while frequency sweep tests provide insights into the effects of processing/thermal history on material degradation. Tests at higher shear rates, which simulate real-world processing conditions such as extrusion and injection moulding, are explored for their role in understanding how processing-induced shear forces accelerate polymer degradation. Various biodegradable polymers are considered in this review, with polylactic acid (PLA) being the dominant polymer studied across most research, providing a clear picture of its degradation behaviour and strategies for enhancing its thermal stability. Therefore, it is expected that this review will be a comprehensive guide for researchers and engineers looking to optimize the thermal stability and performance of biodegradable polymers in various industrial applications.

Graphical abstract

本文通过流变学方法对可生物降解聚合物的热降解进行了深入的分析。重点介绍了时间扫描测试、频率扫描测试和在高剪切测试中获得的非线性流变分析等关键技术,重点介绍了这些方法如何为聚合物稳定性和降解动力学提供关键见解。它需要理解分子量降低(一种常见的降解机制)如何显著影响生物可降解聚合物的性能,以及如何使用适当的填料通过减轻链断裂来提高热稳定性。综述还讨论了Arrhenius方程在热降解建模中的应用,有助于预测降解速率和优化加工条件。时间扫描测试因其在各种环境条件下监测聚合物稳定性的能力而受到特别强调,而频率扫描测试则可以深入了解加工/热历史对材料降解的影响。在更高剪切速率下的测试,模拟真实的加工条件,如挤压和注射成型,探索了它们在理解加工诱导的剪切力如何加速聚合物降解中的作用。本综述考虑了各种可生物降解聚合物,聚乳酸(PLA)是大多数研究中研究的主要聚合物,为其降解行为和提高其热稳定性的策略提供了清晰的图像。因此,这篇综述有望成为研究人员和工程师在各种工业应用中优化生物可降解聚合物的热稳定性和性能的综合指南。图形抽象
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引用次数: 0
Comparison of methodologies for the application of the Onsager variational principle 昂萨格变分原理应用方法的比较
IF 2.2 4区 工程技术 Q2 MECHANICS Pub Date : 2024-10-04 DOI: 10.1007/s13367-024-00109-x
Kwang Soo Cho

Doi suggested a way to apply the Onsager variational principle to various complex fluids. However, since the Onsager principle is constructed by a daring generalization of classical irreversible thermodynamics (linear theory of fluxes and forces) in an inductive manner, it is questionable whether it can be applied to complex fluids which need non-classical state variables, which may called internal variables, and may require nonlinear relations between fluxes and forces. Since Doi’s approach is based on isothermal process and the stress formula which is defined from an analogy to an approximate equation for creeping flow, it is restricted to incompressible fluid. Our variational thermodynamics derives the Onsager variational principle in a deductive manner and removes the demerits of the Doi’s application of the Onsager variational principle. Our theory allows that regardless of the user's expertise, simply selecting state variables can automatically determine the arguments of the dissipation function and find the desired constitutive equations.

Doi提出了一种将Onsager变分原理应用于各种复杂流体的方法。然而,由于Onsager原理是由经典不可逆热力学(通量和力的线性理论)的大胆推广以归纳方式构建的,因此它是否可以应用于需要非经典状态变量的复杂流体是值得怀疑的,这些状态变量可能被称为内部变量,并且可能需要通量和力之间的非线性关系。由于Doi的方法是基于等温过程和应力公式,该公式是由爬行流动近似方程的类比定义的,因此它仅限于不可压缩流体。我们的变分热力学以演绎的方式推导出了Onsager变分原理,并消除了Doi应用Onsager变分原理的缺点。我们的理论允许,无论用户的专业知识如何,只需选择状态变量就可以自动确定耗散函数的参数并找到所需的本构方程。
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引用次数: 0
The role of rheology in cosmetics research: a review 流变学在化妆品研究中的作用综述
IF 2.2 4区 工程技术 Q2 MECHANICS Pub Date : 2024-09-29 DOI: 10.1007/s13367-024-00108-y
Juri Kim, Eun Hui Jeong, Joon Hyun Baik, Jun Dong Park

Since the dawn of human civilization, cosmetics have been an important part of life for various reasons, including aesthetic purposes, skin protection, and representing social status and ideology for social and political reasons. Nowadays, due to advances in science and technology, cosmetics comes in countless distinctive formulations, each tailored to specific purposes and preferences. Rheology has been an essential tool in designing and analyzing complex cosmetic formulations, because of inherent characteristics of their usage, which inevitably involves processes of flow and deformation. Typically, the sensory texture of cosmetic formulations has been correlated with rheological measurements. Furthermore, because the physical and chemical properties, as well as the microstructural status of cosmetic formulations, are well reflected in their rheological behavior, rheology has proven to be an effective metric for assessing stability. This review aims to provide a structured overview of how rheology has been utilized in the cosmetics field and highlight its advancements. We specifically focus on the role of rheology in analyzing the sensory texture and stability in cosmetic formulations, emphasizing a variety of previous studies. In the last part, we present latest applications of rheological analysis combined with other modern techniques, including artificial intelligence and eco-friendly technologies.

Graphical abstract

自人类文明诞生以来,化妆品一直是生活中重要的一部分,原因多种多样,包括审美目的、皮肤保护,以及出于社会和政治原因而代表社会地位和意识形态。如今,由于科技的进步,化妆品有无数独特的配方,每一种都是根据特定的目的和喜好量身定制的。流变学一直是设计和分析复杂化妆品配方的重要工具,因为其使用的固有特性不可避免地涉及流动和变形过程。通常,化妆品配方的感官质地与流变学测量有关。此外,由于化妆品配方的物理和化学性质以及微观结构状态都很好地反映在它们的流变行为中,流变学已被证明是评估稳定性的有效指标。本文综述了流变学在化妆品领域的应用,并重点介绍了流变学的研究进展。我们特别关注流变学在分析化妆品配方的感官质地和稳定性中的作用,强调各种先前的研究。在最后一部分中,我们介绍了流变分析结合其他现代技术的最新应用,包括人工智能和环保技术。图形抽象
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引用次数: 0
A review of rheology for ring polymers and polymers with internal loops: comparison of recent experimental and theoretical studies 环形聚合物和内环聚合物的流变学综述:最近实验和理论研究的比较
IF 2.2 4区 工程技术 Q2 MECHANICS Pub Date : 2024-09-28 DOI: 10.1007/s13367-024-00110-4
Yuya Doi

Polymer architecture (i.e., chain connecting manner) and properties are closely correlate, and strongly influence rheological properties that reflect microscopic molecular dynamics. This review summarizes the rheological properties of ring polymers and polymers containing intramolecular loops, which are currently being studied actively in terms of sample synthesis and physical property. The ring polymers, which have a well-defined molecular architecture and free of impurities, exhibit rheological properties that differ significantly from those of their linear counterparts. Notably, even minor contamination with linear chain impurities is known to substantially alter the rheological properties of ring polymers. Theoretical molecular modeling studies are being pursed to elucidate these behaviors. The ring polymer analogues consisting of multiple ring chains or intramolecular linkages between ring and linear chains exhibit either unentangled or intermolecular penetration behavior, depending on their molecular architectures. The polymers featuring intrinsically random intramolecular loops, such as single-chain polymeric nanoparticles (SCNPs) and polymeric nanosheets, are also under active investigation in terms of both their synthesis and properties. A deeper understanding of the molecular dynamics and rheological properties of these unique architectural polymers can contribute to the further development of polymer science and industry as well as to the creation of new polymeric nano-materials.

Graphical abstract

聚合物的结构(即链连接方式)与性能密切相关,并强烈影响反映微观分子动力学的流变性能。本文综述了目前在样品合成和物理性质方面研究较为活跃的环状聚合物和含分子内环聚合物的流变性能。环形聚合物具有明确的分子结构和无杂质,表现出与线性聚合物显著不同的流变特性。值得注意的是,即使是线性链杂质的轻微污染也会大大改变环状聚合物的流变性能。理论分子模型研究被用来阐明这些行为。环形聚合物类似物由多个环链或环链和线性链之间的分子内键组成,根据其分子结构表现出不纠缠或分子间渗透行为。具有分子内随机环的聚合物,如单链聚合物纳米颗粒(SCNPs)和聚合物纳米片,在其合成和性能方面也处于积极的研究之中。深入了解这些独特建筑聚合物的分子动力学和流变性能有助于聚合物科学和工业的进一步发展,以及创造新的聚合物纳米材料。图形抽象
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引用次数: 0
Nonlinear damping of associative polymers 结合聚合物的非线性阻尼
IF 2.2 4区 工程技术 Q2 MECHANICS Pub Date : 2024-09-23 DOI: 10.1007/s13367-024-00107-z
Yuxuan Pei, Yanjie Zhang, Chengzhi Zheng, Jian Tang, Quan Chen

Stress relaxation measurements under step strain γ are frequently utilized to characterize the nonlinear stress responses of polymeric materials. The reduction degree of the stress amplitude with increasing step strain is quantified by the so-called damping function, h(γ). In this review, we summarize a recent progress in molecular understanding of the damping behavior of associative polymers from both the experimental and theoretical perspectives. The damping is related to the rupture and reconstruction of associative network after applying step strain and before the terminal stress relaxation. Incorporation of this mechanism into the classic sticky Rouse model through the conformation pre-averaging protocol enables quantitative prediction of the damping behavior of randomly associating linear polymers as well as end-associative star polymers, both in the unentangled state.

Graphical abstract

阶跃应变γ下的应力松弛测量常用于表征聚合物材料的非线性应力响应。应力幅值随阶跃应变的减小程度用所谓的阻尼函数h(γ)来量化。本文从实验和理论两方面综述了近年来在分子对缔合聚合物阻尼行为的认识方面取得的进展。阻尼与施加阶跃应变后和末端应力松弛前联合网络的破裂和重建有关。通过构象预平均协议将这一机制结合到经典粘性劳斯模型中,可以定量预测随机结合的线性聚合物和末端结合的星形聚合物在非纠缠状态下的阻尼行为。图形抽象
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引用次数: 0
Quantification of flows in a rectangular channel of a single-screw extruder with a small helix angle based on the energy dissipation rate 基于能量耗散率的小螺旋角单螺杆挤出机矩形通道内流动定量研究
IF 2.2 4区 工程技术 Q2 MECHANICS Pub Date : 2024-09-20 DOI: 10.1007/s13367-024-00106-0
Xuesi Gao, Byungmin Lee, Wook Ryol Hwang

In this work, a systematic approach is proposed for quantifying the effective viscosity, effective shear rate, and screw characteristics of non-Newtonian fluids in an unwound rectangular channel screw flow of a metering zone of the single-screw extruder. The analyses are limited to a small helix angle case (less than 6.7 degrees), where the cross-sectional drag velocity component is small enough. We begin by separating the flow within the channel into two individual flows (the drag-driven flow and the adverse pressure-driven flow). Both the correlations between drag velocity and drag force in the drag flow and between flow rate and pressure buildup in the pressure-driven flow are investigated separately. Then, we propose mixture rules for shear rate and energy dissipation for the combined drag and (adverse) pressure-driven flows in the rectangular channel. The flow quantification approach of the combined flow is established by incorporating the correlations observed in the individual flows with a velocity ratio (the ratio of the drag velocity to the flow rate). The flow quantification method was validated using three non-Newtonian fluids (power law fluid models, a Carreau fluid model, and a regularized Herschel–Bulkley fluid model), through extensive numerical simulations with a 2.5D hybrid scheme. The proposed quantification method can be applied for estimating the relationship between torque, pressure buildup and throughput in the single-screw process with a small helix angle. Theoretical predictions agree well with numerical simulations, with maximum relative errors of 3.3%, and 11% for drag force and pressure buildup, respectively.

Graphical abstract

在这项工作中,提出了一种系统的方法来量化非牛顿流体在单螺杆挤出机计量区未缠绕矩形通道螺杆流中的有效粘度、有效剪切速率和螺杆特性。分析仅限于小螺旋角情况下(小于6.7度),其中横截面阻力速度分量足够小。我们首先将通道内的流动分成两个独立的流动(阻力驱动的流动和逆压驱动的流动)。分别研究了阻力流中阻力速度与阻力之间的关系以及压力驱动流中流量与压力累积之间的关系。然后,我们提出了矩形通道中阻力和逆压联合流动的剪切速率和能量耗散的混合规则。组合流的流量量化方法是通过将单个流中观察到的与速度比(阻力速度与流量的比值)的相关性结合起来建立的。采用三种非牛顿流体(幂律流体模型、Carreau流体模型和正则化Herschel-Bulkley流体模型),采用2.5D混合格式进行了大量数值模拟,验证了流动量化方法。所提出的量化方法可用于估算小螺旋角单螺杆加工过程中扭矩、压力累积与输送量之间的关系。理论预测与数值模拟吻合良好,阻力和压力累积的最大相对误差分别为3.3%和11%。图形抽象
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引用次数: 0
期刊
Korea-Australia Rheology Journal
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