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Surface wettability and capillary flow of water in nanoslits of two-dimensional hexagonal-boron nitride 二维六方氮化硼纳米片中水的表面润湿性和毛细流动
IF 4.6 2区 工程技术 Q1 MECHANICS Pub Date : 2024-09-11 DOI: 10.1063/5.0224117
Ya-Wun Lu, Hsin-Yu Chang, Heng-Kwong Tsao, Yu-Jane Sheng
The wettability and imbibition dynamics of water within 2-dimensional hexagonal boron nitride (h-BN) nanochannels were investigated through nanoscale molecular dynamics simulations. Results from the sessile drop and liquid plug methods indicate that the contact angle on h-BN is notably lower than that on graphene, with single-layer h-BN exhibiting greater hydrophobicity compared to multilayer h-BN. The disjoining pressure in liquid nanoplug was calculated to validate the Young–Laplace equation. During the imbibition process, the penetration length follows l2 = Slt. Simultaneously, the decrease in internal energy (ΔE) follows ΔE = −SEt1/2. While the Lucas–Washburn expression (l2 ∼ wt) can capture such behavior, it does not account for the dependence on channel width (w), where w = Nb, with N denoting the number of h-BN sheets and b the thickness. In wide nanoslits (N > 4), the penetration velocity decreases as the channel width increases. The final ΔE converge to the same value, and SE2/Sl remains constant. In narrow nanoslits (N ≤ 4), the penetration velocity does not decrease consistently with channel width. The final ΔE does not converge to a consistent value for N = 1, 1.5, and 2, and SE exhibits distinct trends with Sl. Comparisons reveal that water in h-BN nanochannels exhibits a notably higher imbibition velocity than in graphene due to differences in the driving force.
通过纳米级分子动力学模拟研究了水在二维六方氮化硼(h-BN)纳米通道中的润湿性和浸润动力学。无柄液滴法和液塞法的结果表明,h-BN 上的接触角明显低于石墨烯上的接触角,与多层 h-BN 相比,单层 h-BN 表现出更大的疏水性。计算了液态纳米插头中的分离压力,以验证 Young-Laplace 方程。在浸泡过程中,渗透长度为 l2 = Slt。同时,内能(ΔE)的减少遵循ΔE = -SEt1/2。虽然卢卡斯-沃什伯恩表达式(l2 ∼ wt)可以捕捉到这种行为,但它没有考虑到与通道宽度(w)的关系,其中 w = Nb,N 表示 h-BN 薄片的数量,b 表示厚度。在宽纳米通道(N > 4)中,穿透速度随着通道宽度的增加而降低。最终的 ΔE 收敛到相同的值,SE2/Sl 保持不变。在窄纳米its(N ≤ 4)中,穿透速度不会随通道宽度的增加而持续降低。在 N = 1、1.5 和 2 时,最终的 ΔE 值并不趋于一致,SE 与 Sl 呈明显的变化趋势。比较结果表明,由于驱动力的不同,水在 h-BN 纳米通道中的浸润速度明显高于石墨烯。
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引用次数: 0
Electrokinetic flow and energy conversion induced by streaming potential in nanochannels with symmetric corrugated walls 具有对称波纹壁的纳米通道中由流势诱导的电动流和能量转换
IF 4.6 2区 工程技术 Q1 MECHANICS Pub Date : 2024-09-11 DOI: 10.1063/5.0226494
Zhiyong Xie, Xingyu Chen, Fang Tan
A theoretical and numerical investigation of electrokinetic flow is performed in a nanochannel with the charged symmetric corrugated surfaces. The perturbation and numerical solutions of electrokinetic flow variables are given, and the effects of corrugation geometry, such as wave amplitude and wave number, on the electrokinetic flow characteristics are systematically examined. The results show that the electrokinetic flow recirculation may occur easily at wave crest due to the electroviscous effect. The velocity profile is strongly dependent on wave number, but the maximum or minimum velocity may be insusceptible to wave number. Furthermore, the distributions of streaming potential and energy conversion efficiency are also investigated. We find that, for some special geometry of corrugations, the streaming current and conversion efficiency obtained from the present corrugated nanochannel are higher than that from the smooth nanochannel. Specially, when the dimensionless wave number is 0.5/π, the magnitude of streaming potential is enhanced about 29% at δ = 0.5 and the peak value of conversion efficiency is enhanced about 2% at δ = 0.1. We believe that the optimal corrugation geometry parameters can be of benefit in designing a microfluidic device with higher streaming current and conversion efficiency.
对带电对称波纹表面纳米通道中的电动力流进行了理论和数值研究。给出了电动力流变量的扰动和数值解,并系统研究了波纹的几何形状(如波幅和波数)对电动力流特性的影响。结果表明,由于电粘性效应,电动力流在波峰处很容易发生再循环。速度剖面与波数密切相关,但最大或最小速度可能不受波数影响。此外,我们还研究了流势和能量转换效率的分布。我们发现,对于一些特殊的波纹几何形状,本波纹纳米通道获得的流势和能量转换效率均高于光滑纳米通道。特别是当无量纲波数为 0.5/π 时,δ = 0.5 时的流势大小提高了约 29%,δ = 0.1 时的转换效率峰值提高了约 2%。我们相信,最佳的波纹几何参数有助于设计出具有更高流电势和转换效率的微流体装置。
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引用次数: 0
A comprehensive investigation and optimization of superheat degree on performance of supersonic nozzle by considering non-equilibrium condensation and entropy generation analysis 考虑非平衡冷凝和熵生成分析,全面研究和优化过热度对超音速喷嘴性能的影响
IF 4.6 2区 工程技术 Q1 MECHANICS Pub Date : 2024-09-11 DOI: 10.1063/5.0224884
Rujie Xia, Delu Li, Mohammad Ali Faghih Aliabadi
Non-equilibrium condensation (NQC) induced heat transfer in the supersonic nozzle (SSN) results in entropy production and alters the flow structure. The analysis of entropy production offers valuable insights for enhancing the design of industrial equipment by pinpointing the origins of energy losses. The interplay between frictional entropy, thermal entropy, and NQC is a fascinating but relatively unexplored subject in the field. This study aims to examine the impact of the superheat degree on NQC, frictional entropy, and thermal entropy. The goal is to enhance our understanding of the interconnectedness among these three parameters and their relationship. The findings revealed that within the SSN, the generation of frictional entropy surpasses that of thermal entropy generation. Upon analyzing the variations in entropy production with an increase in the degree of superheat, a general trend of ascending–descending can be observed for thermal, frictional, and total entropy productions. Furthermore, as the degree of superheat increases, both the droplet diameter and liquid mass fraction within the nozzle decrease. Optimization techniques were employed to determine the optimal degree of superheat for the given scenario. After the optimization process, the range of 70–90 was identified as the optimal degree of superheat. At a superheat degree of 70, the parameters of production entropy, input flow rate, condensation loss, and energy kinetics undergo changes of 19.3%, 9.8%, 99.9%, and 14.3%, respectively.
超音速喷嘴(SSN)中的非平衡冷凝(NQC)诱导传热会产生熵并改变流动结构。对熵的产生进行分析,可以准确找出能量损失的根源,从而为改进工业设备的设计提供有价值的见解。摩擦熵、热熵和 NQC 之间的相互作用是该领域中一个引人入胜但相对尚未探索的课题。本研究旨在探讨过热度对 NQC、摩擦熵和热熵的影响。目的是加深我们对这三个参数之间相互联系及其关系的理解。研究结果表明,在 SSN 中,摩擦熵的产生超过了热熵的产生。在分析随着过热度的增加而产生的熵的变化时,可以发现热熵、摩擦熵和总熵的产生呈总体上升-下降趋势。此外,随着过热度的增加,喷嘴内的液滴直径和液体质量分数都会下降。我们采用了优化技术来确定特定情况下的最佳过热度。经过优化,确定 70-90 为最佳过热度。过热度为 70 时,生产熵、输入流量、冷凝损失和能量动力学参数分别发生了 19.3%、9.8%、99.9% 和 14.3% 的变化。
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引用次数: 0
Lagrangian coherent structures around a bridge pier with scour hole 带有冲刷孔的桥墩周围的拉格朗日相干结构
IF 4.6 2区 工程技术 Q1 MECHANICS Pub Date : 2024-09-11 DOI: 10.1063/5.0229952
Murali Krishnamraju Kalidindi, Rakesh Khosa
Accurate prediction of scour depth is essential for the safety of the bridge. The downflow upstream of the pier plays a significant role in scour hole formation. The present study used Lagrangian coherent structures (LCSs) to derive an expression to estimate the force exerted by the downflow on the sediment bed. The LCSs extracted a trapping region upstream of the pier, which trapped the fluid, which was then converted into downflow. The expressions derived in this Letter can be used to improve the efficiency of scour depth prediction equations.
准确预测冲刷深度对桥梁的安全至关重要。桥墩上游的下沉流对冲刷孔的形成起着重要作用。本研究利用拉格朗日相干结构(LCS)推导出一个表达式,用于估算下沉流对沉积床施加的力。拉格朗日相干结构提取了码头上游的捕集区,该区域捕集了流体,然后将其转化为下沉流。本信推导的表达式可用于提高冲刷深度预测方程的效率。
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引用次数: 0
Dual-purpose wave farm with nonlinear stiffness mechanism for energy extraction and wave attenuation 具有非线性刚度机制的两用波浪场,用于提取能量和衰减波浪
IF 4.6 2区 工程技术 Q1 MECHANICS Pub Date : 2024-09-11 DOI: 10.1063/5.0227165
Huaqing Jin, Haicheng Zhang, Siming Zheng, Ye Lu, Daolin Xu, Deborah Greaves
This study proposes a novel model of a dual-purpose nonlinear wave farm, wherein multiple wave energy converters (WECs) equipped with nonlinear stiffness mechanism (NSM) are deployed for energy production and wave attenuation. A hybrid semi-analytical approach integrating the eigenfunction expansion matching method (EEMM) with the multi-harmonic balance method (MHBM) is developed to address the nonlinear wave-structure interactions among an array of WECs. Each device is modeled as a truncated cylinder, and the effects of the nonlinear interaction on power absorption and wave evolution from the array are studied. The analytical results are validated through published experimental results and computational fluid dynamics (CFD) results. A multi-parameter analysis is conducted to explore the impact of various factors including power takeoff (PTO) damping, NSM configuration, wave direction, and layout geometry on both wave power absorption and wave evolution. The results demonstrate that the nonlinear wave farm exhibits improved power-capture efficiency and enhanced wave attenuation compared to the linear wave farm, attributed to the phase control mechanism of NSM. This work may provide profound guidelines for large-scale wave energy exploitation and coast protection.
本研究提出了一种新型的两用非线性波浪场模型,其中部署了多个配备非线性刚度机制(NSM)的波浪能转换器(WECs),用于能量生产和波浪衰减。为解决波能转换器阵列之间的非线性波-结构相互作用问题,开发了一种将特征函数扩展匹配法(EEMM)与多谐波平衡法(MHBM)相结合的混合半分析方法。每个设备都被建模为一个截顶圆柱体,研究了非线性相互作用对阵列功率吸收和波浪演变的影响。已公布的实验结果和计算流体动力学(CFD)结果对分析结果进行了验证。进行了多参数分析,以探讨各种因素(包括功率输出(PTO)阻尼、NSM 配置、波浪方向和布局几何形状)对波功率吸收和波浪演变的影响。结果表明,与线性波浪场相比,非线性波浪场表现出更高的功率吸收效率和更强的波浪衰减能力,这归功于 NSM 的相位控制机制。这项研究可为大规模波浪能开发和海岸保护提供深远的指导。
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引用次数: 0
First- and second-order unconditionally stable and decoupled schemes for the closed-loop geothermal system based on the coupled multiphysics model 基于耦合多物理场模型的闭环地热系统一阶和二阶无条件稳定解耦方案
IF 4.6 2区 工程技术 Q1 MECHANICS Pub Date : 2024-09-11 DOI: 10.1063/5.0228565
Xinhui Wang, Xiaoli Li
In this paper, we construct first- and second-order implicit–explicit schemes for the closed-loop geothermal system, which includes the heat transfer between the porous media flow with Darcy equation in the geothermal reservoir and the free flow with Navier–Stokes equation in the pipe. The constructed fully discrete schemes are based on the exponential auxiliary variable method in time, which we have proposed in Li et al. [“New SAV-pressure correction methods for the Navier-Stokes equations: Stability and error analysis,” Math. Comput. 91, 141–167 (2022)] and the finite element method in space. These schemes are linear and uniquely solvable, decoupling not only the two flow regions but also the temperature field, and only require solving a sequence of linear differential equations with constant coefficients at each time step. In addition, we rigorously prove that the constructed first- and second-order schemes are unconditionally stable without any time step and stability parameter restrictions. Finally, some numerical simulations, including convergence tests, the benchmark problem for thermal convection in a square cavity, and the heat transfer in simplified closed-loop geothermal systems, are demonstrated to present the reliability and efficiency of the constructed schemes.
本文构建了闭环地热系统的一阶和二阶隐式-显式方案,其中包括地热储层中含达西方程的多孔介质流与管道中含纳维-斯托克斯方程的自由流之间的传热。所构建的全离散方案基于指数辅助变量时间法,我们在 Li 等人的论文["Navier-Stokes 方程的新 SAV 压力修正方法:稳定性和误差分析",Math.Comput.91,141-167 (2022)]和空间有限元法。这些方案是线性和唯一可解的,不仅解耦了两个流动区域,还解耦了温度场,并且只需要在每个时间步求解一连串具有常数系数的线性微分方程。此外,我们还严格证明了所构建的一阶和二阶方案是无条件稳定的,不受任何时间步长和稳定参数的限制。最后,我们演示了一些数值模拟,包括收敛性测试、方形空腔中热对流的基准问题以及简化闭环地热系统中的传热问题,以展示所构建方案的可靠性和效率。
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引用次数: 0
Predicting orientation in extruded wood polymer composites 预测挤压木材聚合物复合材料的取向
IF 4.6 2区 工程技术 Q1 MECHANICS Pub Date : 2024-09-11 DOI: 10.1063/5.0224011
Sajjad Pashazadeh, Arvindh Seshadri Suresh, Viney Ghai, Tobias Moberg, Anders Brolin, Roland Kádár
A general procedure for combining material functions and numerical modeling to predict the orientation of highly filled wood polymer composites (WPCs) in a single screw extrusion and validation thereof is elaborated in this study. Capillary rheometry was used to determine the shear viscosity and wall slip functions as well as the melt density of the biocomposites. The numerical model consisted of a model film die where the melt flow was simulated using a finite element method in the generalized Newtonian constitute equation framework. Fiber orientation was modeled using the Folgar–Tucker approach and included fiber–fiber interaction during the process. Reference extrusion tests were performed on a single screw extruder on the biocomposites. The extrusion setup included two melt pressure transducers that were used to determine the die inlet initial conditions (end of the extruder/die inlet) and provide feedback on the wall slip boundary conditions (pressure discharge along the die). Overall, the pressure error between experiments and simulations was less than 6.5% for all screw speeds investigated in 20 wt. % WPCs. Extrudates were produced, and the wood fiber orientation was estimated based on scanning electron microscopy micrographs and image analysis and compared with the simulations of fiber orientation. We show that the general procedure outlined can be calibrated to predict the overall orientation distribution of wood fiber biocomposites during single screw extrusion.
本研究阐述了结合材料函数和数值建模预测高填充木质聚合物复合材料(WPC)在单螺杆挤压中的取向及其验证的一般程序。毛细管流变仪用于确定生物复合材料的剪切粘度和壁滑函数以及熔体密度。数值模型包括一个模型膜模,在该膜模中使用广义牛顿构成方程框架中的有限元法模拟熔体流动。纤维取向采用 Folgar-Tucker 方法建模,并包括过程中纤维与纤维之间的相互作用。在单螺杆挤压机上对生物复合材料进行了参考挤压试验。挤出装置包括两个熔体压力传感器,用于确定模头入口初始条件(挤出机末端/模头入口),并对壁滑边界条件(沿模头排出的压力)提供反馈。总体而言,在 20 wt. % WPC 的所有螺杆速度下,实验与模拟的压力误差均小于 6.5%。生产挤出物时,根据扫描电子显微镜显微照片和图像分析估算木纤维的取向,并与模拟的纤维取向进行比较。结果表明,所概述的一般程序可用于校准,以预测单螺杆挤压过程中木质纤维生物复合材料的总体取向分布。
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引用次数: 0
LKFlowNet: A deep neural network based on large kernel convolution for fast and accurate nonlinear fluid-changing prediction LKFlowNet:基于大核卷积的深度神经网络,用于快速准确地预测非线性流体变化
IF 4.6 2区 工程技术 Q1 MECHANICS Pub Date : 2024-09-11 DOI: 10.1063/5.0221881
Yan Liu, Qingyang Zhang, Xinhai Chen, Chuanfu Xu, Qinglin Wang, Jie Liu
The rapid development of artificial intelligence has promoted the emergence of new flow field prediction methods. These methods address challenges posed by nonlinear problems and significantly reduce computational time and cost compared to traditional numerical simulations. However, they often struggle to capture the dynamic sparse characteristics of the flow field effectively. To bridge this gap, we introduce LKFlowNet, a new large kernel convolutional neural network specifically designed for complex flow fields in nonlinear fluid dynamics systems. LKFlowNet adopts a multi-branch large kernel convolution computing architecture, which can skillfully handle the complex nonlinear dynamic characteristics of flow changes. Drawing inspiration from the dilated convolution mechanism, we developed the RepDWConv block, a re-parameterized depthwise convolution that extends the convolutional kernel's coverage. This enhancement improves the model's ability to capture long-range dependencies and sparse structural features in fluid dynamics. Additionally, a customized physical loss function ensures accuracy and physical consistency in flow field reconstruction. Comparative studies reveal that LKFlowNet significantly outperforms existing neural network architectures, providing more accurate and physically consistent predictions in complex nonlinear variations such as velocity and pressure fields. The model demonstrates strong versatility and scalability, accurately predicting the flow field of various geometric configurations without modifying the architecture. This capability positions LKFlowNet as a promising new direction in fluid dynamics research, potentially revolutionizing flow field prediction by combining high efficiency and accuracy. Our results suggest that LKFlowNet could become an indispensable tool in intelligent flow field prediction, reshaping the analysis and processing of fluid dynamics.
人工智能的快速发展促进了新流场预测方法的出现。与传统的数值模拟相比,这些方法能够解决非线性问题带来的挑战,并显著减少计算时间和成本。然而,这些方法往往难以有效捕捉流场的动态稀疏特征。为了弥补这一差距,我们引入了 LKFlowNet,这是一种新的大核卷积神经网络,专为非线性流体动力学系统中的复杂流场而设计。LKFlowNet 采用多分支大核卷积计算架构,能巧妙地处理流动变化的复杂非线性动态特性。受扩张卷积机制的启发,我们开发了 RepDWConv 模块,这是一种重新参数化的深度卷积,可扩展卷积核的覆盖范围。这一改进提高了模型捕捉流体动力学中长程依赖性和稀疏结构特征的能力。此外,定制的物理损失函数确保了流场重建的准确性和物理一致性。对比研究表明,LKFlowNet 的性能明显优于现有的神经网络架构,在速度场和压力场等复杂的非线性变化中提供了更准确和物理上更一致的预测。该模型具有很强的通用性和可扩展性,无需修改架构即可准确预测各种几何配置的流场。这种能力将 LKFlowNet 定位为流体动力学研究中一个前景广阔的新方向,通过结合高效率和高精度,有可能彻底改变流场预测。我们的研究结果表明,LKFlowNet 有可能成为智能流场预测领域不可或缺的工具,重塑流体动力学的分析和处理过程。
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引用次数: 0
On the active flow control in maglev train safety under crosswinds: Analysis of leeward suction and blowing action 关于横风下磁悬浮列车安全的主动流量控制:背风吸力和吹风作用分析
IF 4.6 2区 工程技术 Q1 MECHANICS Pub Date : 2024-09-11 DOI: 10.1063/5.0224211
Zi-Jian Guo, Zhan-Hao Guo, Zheng-Wei Chen, Guang-Zhi Zeng, Jun-Qi Xu
The design speed of high-speed maglev trains is much higher than that of wheel-rail trains, and they will be subject to more operational safety threats under complex wind conditions. The present study uses the improved delayed detached eddy simulation method based on the shear stress transfer k–ω turbulence model to explore the effect of active flow control on the aerodynamic lateral force of a maglev train and examines the main aerodynamic performance differences caused by two active control forms (suction and blowing airflow), involving multiple active flow speeds. In the current scenario, blowing can reduce the lateral force coefficient of the head car by up to 15% while greatly increasing its transient instability, which can be attributed to direct and indirect changes in pressure distribution near the air slots and a larger range of the leeward surface. The suction is believed to suppress the downstream motion of the main vortex on the leeward side of the maglev train and weaken the turbulent kinetic energy of the wake, while the blowing effect reduces the dominance of the main vortex. The application of blowing is proved as an effective means of reducing the risk of operating a maglev train in a crosswind environment, while it requires a careful consideration of both train safety and energy efficiency.
高速磁悬浮列车的设计速度远高于轮轨列车,在复杂风况下将面临更多的运行安全威胁。本研究采用基于剪应力传递 k-ω 湍流模型的改进型延迟脱离涡模拟方法,探讨了主动流控制对磁悬浮列车气动侧向力的影响,并研究了两种主动控制形式(吸入气流和吹入气流)造成的主要气动性能差异,涉及多种主动流速度。在当前情况下,吹气可使头车的侧向力系数降低 15%,同时大大增加其瞬态不稳定性,这可归因于气槽附近压力分布的直接和间接变化以及背风面更大范围的变化。吸力被认为抑制了磁悬浮列车背风面主涡旋的顺流运动,削弱了尾流的湍流动能,而吹风效应则降低了主涡旋的主导地位。事实证明,吹风的应用是降低磁悬浮列车在横风环境下运行风险的有效手段,同时需要仔细考虑列车安全和能源效率。
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引用次数: 0
Electro-hydrodynamics study of double emulsion droplet formation in a double Y-shaped channel 双 Y 型通道中双乳液液滴形成的电流体力学研究
IF 4.6 2区 工程技术 Q1 MECHANICS Pub Date : 2024-09-11 DOI: 10.1063/5.0223426
Qianwen Yang, Zhaohui Wang, Yaohui Zhao, Feng Zhang, Quanjie Gao
Although there have been more studies on droplet formation under the control of electrostatic field in recent years, the studies on the relationship between composite droplet formation and electrostatic field are fragmented. In order to analyze the effect of electrostatic field on composite droplet formation, this paper numerically investigates the electro-hydrodynamics of the double emulsion in a double Y-shaped microchannel and experimentally verifies the applied phase interface capture method. Calculations are carried out using a model coupled with the phase field method and electrostatic field to analyze the interfacial evolution of double emulsions under different electric field strengths and to quantitatively study the droplet formation process. Four flow regimes different from previous studies were found: dripping regime, jetting regime, threading regime, and jetting-dripping transition regime, among which the formation frequency ( f ) of double emulsion droplets under the short jetting regime was up to 769 Hz. The eccentricity (ε) of droplets under the dripping regime was the smallest, with ε of 0.2, the coefficient of deformation (Defm) of the middle phase droplets was minimized to 0.05. It is observed that there is a linear relationship between Cam/Cao and CaE in the dripping regime, with the generation of multi-core double emulsion droplets. When Cam/Cao is greater than 14, the flow regime of the double emulsion in the channel is always threading regime, no matter how CaE is changed.
虽然近年来关于静电场控制下液滴形成的研究越来越多,但关于复合液滴形成与静电场关系的研究却比较零散。为了分析静电场对复合液滴形成的影响,本文对双 Y 型微通道中双乳液的电流体力学进行了数值研究,并对应用的相界面捕捉方法进行了实验验证。利用相场法和静电场耦合模型进行计算,分析了不同电场强度下双乳液的界面演变,并定量研究了液滴形成过程。发现了与以往研究不同的四种流态:滴流态、喷射态、穿流态和喷射-滴流过渡态,其中短喷射态下双乳液液滴的形成频率(f)高达769 Hz。液滴偏心率(ε)最小,ε为 0.2,中间相液滴的变形系数(Defm)最小,为 0.05。可以观察到,在滴流体系中,Cam/Cao 与 CaE 之间呈线性关系,并产生多核双乳液液滴。当 Cam/Cao 大于 14 时,无论 CaE 如何变化,双乳液在通道中的流动机制始终是穿线机制。
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引用次数: 0
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