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Complementary Mass Transport Investigations in Open-Cell Foams: Full-Field Computational Fluid Dynamics Simulation with Random-Walk Microscopic Particle Tracking and Methane Nuclear Magnetic Resonance Displacement Measurements 开孔泡沫中的互补质量传输研究:全场计算流体力学模拟与随机漫步微观粒子跟踪和甲烷核磁共振位移测量
IF 2.7 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-02-16 DOI: 10.1007/s11242-023-02045-w
Mehrdad Sadeghi, Andreas Brix, Sebastian Trunk, Georg R. Pesch, Hannsjörg Freund, Jorg Thöming

Numerical simulation can provide detailed understanding of mass transport within complex structures. For this purpose, numerical tools are required that can resolve the complex morphology and consider the contribution of both convection and diffusion. Solving the Navier–Stokes equations alone, however, neglects self-diffusion. This influences the simulated displacement distribution of flow especially in porous media at low Péclet numbers (Pe < 16) and in near-wall regions where diffusion is the dominant mechanism. To address this problem, this study uses μCT-based computational fluid dynamics (CFD) simulations in OpenFOAM coupled with the random-walk particle tracking (PT) module disTrackFoam and cross-validated experimentally using pulsed-field gradient (PFG) nuclear magnetic resonance (NMR) measurements of gas flow within open-cell foams (OCFs). The results of the multi-scale simulations—with a resolution of 130–190 µm—and experimental PFG NMR data are compared in terms of diffusion propagators, which are microscopic displacement distributions of gas flows in OCFs during certain observation times. Four different flow rates with Péclet numbers in the range of 0.7–16 are studied in the laminar flow regime within 10 and 20 PPI OCFs, and axial dispersion coefficients were calculated. Cross-validation of PFG NMR measurements and CFD-PT simulations revealed a very good matching with integral differences below 0.04%, underpinning the capability of both complementary methods for multi-scale transport analysis.

数值模拟可以详细了解复杂结构内的质量传输。为此,需要能够解析复杂形态并考虑对流和扩散作用的数值工具。然而,仅求解纳维-斯托克斯方程会忽略自扩散。这影响了流动的模拟位移分布,尤其是在低佩克莱特数(Pe <16)的多孔介质中和以扩散为主要机制的近壁区域。为了解决这个问题,本研究在 OpenFOAM 中使用基于 μCT 的计算流体力学(CFD)模拟,并结合随机漫步粒子跟踪(PT)模块 disTrackFoam,同时使用脉冲场梯度(PFG)核磁共振(NMR)测量开孔泡沫(OCFs)中的气体流动,通过实验进行交叉验证。多尺度模拟(分辨率为 130-190 微米)的结果与脉冲场梯度核磁共振实验数据在扩散传播器方面进行了比较,扩散传播器是特定观测时间内 OCF 中气体流动的微观位移分布。研究了 10 和 20 PPI OCF 内层流状态下佩克莱特数在 0.7-16 范围内的四种不同流速,并计算了轴向弥散系数。PFG NMR 测量和 CFD-PT 模拟的交叉验证结果表明,两者的匹配度非常高,积分差异低于 0.04%,证明了这两种互补方法在多尺度传输分析方面的能力。
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引用次数: 0
Projection–Subtraction X-ray Imaging Scheme for Studying Fast Fluid-Dynamics Processes in Porous Media 用于研究多孔介质中快速流体力学过程的投影-折射 X 射线成像方案
IF 2.7 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-02-14 DOI: 10.1007/s11242-023-02055-8
Ivan Gorenkov, Viktor Nikitin, Mikhail Fokin, Anton Duchkov

Imaging of fluid flow at the pore scale in permeable media requires high spatial resolution to observe the topology of fluid in the pore system, along with high temporal resolution to study dynamic processes. The two most popular imaging techniques in modern experiments are microfluidic device imaging and X-ray micro-computed tomography, both having significant limitations as applied to the micro-level. In particular, microfluidic experiments examine flow in quasi-2D system of pores instead of natural 3D geometry of permeable media, whereas X-ray computed tomography (reconstruction of a 3D object representation from a set of 2D projections collected at different rotation angles) is considerably slow when studying fast pore-scale events. In this work, we present a novel approach to examination of local fluid dynamics by combining traditional fast X-ray microtomography and radiographic analysis of successive projections. After initial tomographic imaging of the 3D pore structure, we perform projection-wise analysis comparing differences between two successive projections. As a result, we obtain flow visualization with time resolution determined by the projection time, which is orders of magnitude faster than standard microtomographic scan time. To confirm the effectiveness of this approach, we investigate the pore-scale mechanisms of unstable water migration that occurs during gas-hydrate formation in coal media. We first show that the displacement of brine by methane gas due to cryogenic suction can lead to multiple snap-off events of brine flow in pores. Second, we study a fast local drainage process accompanied by the formation of the gradually swelling gas bubble in the center of the pore. The measured maximum interfacial velocity in our experiments varies from 1.3 to 5.2 mm/s. We also simulate this outflow process accompanied by the bubble expansion and estimate the average brine flow rate during brine-methane displacement.

摘要 对渗透介质中孔隙尺度的流体流动进行成像需要高空间分辨率来观察孔隙系统中流体的拓扑结构,同时还需要高时间分辨率来研究动态过程。现代实验中最常用的两种成像技术是微流体设备成像和 X 射线显微计算机断层扫描,这两种技术在微观层面的应用都有很大的局限性。特别是,微流体实验检查的是准二维孔隙系统中的流动,而不是渗透介质的自然三维几何形状,而 X 射线计算机断层扫描(从一组在不同旋转角度收集的二维投影重建三维物体表示)在研究快速孔隙尺度事件时速度相当慢。在这项工作中,我们结合传统的快速 X 射线显微层析成像和连续投影的射线分析,提出了一种检查局部流体动力学的新方法。在对三维孔隙结构进行初始层析成像后,我们进行投影分析,比较两个连续投影之间的差异。因此,我们获得了流动可视化,其时间分辨率由投影时间决定,比标准微断层扫描时间快了几个数量级。为了证实这种方法的有效性,我们研究了煤介质中瓦斯-水合物形成过程中不稳定水迁移的孔隙尺度机制。我们首先证明了甲烷气体在低温抽吸作用下对盐水的置换会导致盐水在孔隙中发生多次断流。其次,我们研究了伴随着孔隙中心逐渐膨胀的气泡形成的快速局部排水过程。实验中测得的最大界面速度为 1.3 至 5.2 mm/s。我们还模拟了伴随气泡膨胀的流出过程,并估算了盐水-甲烷置换过程中的平均盐水流速。
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引用次数: 0
Effect of Anisotropy on the Permeability of Electroosmotic Flow Through Porous Media: Multiscale Approach 各向异性对多孔介质电渗流渗透性的影响:多尺度方法
IF 2.7 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-02-13 DOI: 10.1007/s11242-024-02060-5
Promasree Majumdar, Debabrata Dasgupta

Electroosmotic flow through porous media is a crucial contemporary research field that finds its application in the areas of various engineering, geological, and biological settings. Obeying Darcy’s law for electroosmotic flow through porous media in similar lines to that of pressure-driven flow yields a very important physical property of electro-permeability. This work aims to examine the influence of wall zeta potential, Debye length, the solid particle shape, and preferential orientation on the electro-permeability tensor using multiscale homogenization methodology for a single-phase fluid flow. For determining the range of possible particle shapes from prolate-oblate ellipsoid to sphere, the parameter of aspect ratio is employed. Additionally, anisotropy ratio and tortuosity have been explored. The governing equations for this study comprise a mass continuity equation, an advection–diffusion equation, a Poisson–Boltzmann equation for electric double layer, and a Laplace equation for solving the electric field in a fully coupled manner. A two-scale computational homogenization technique is employed to model the fluid-saturated periodic media subjected to external electric effects. The finite element approach is adopted to solve the multiscale and multi-physics problem in a coupled manner. The results indicate that the electro-permeability is significantly affected by wall zeta potential, aspect ratio, and orientation of solid particles. Also, one of the major findings is that the EDL thickness has a vital effect on the electro-permeability, anisotropy ratio, and tortuosity of the porous media.

摘要 多孔介质中的电渗透流动是当代一个重要的研究领域,在各种工程、地质和生物领域都有应用。遵守多孔介质电渗流的达西定律与压力驱动流的达西定律类似,可以得到一个非常重要的物理特性--电渗透性。这项研究旨在利用单相流体流动的多尺度均质化方法,研究壁Zeta电位、Debye长度、固体颗粒形状和优先取向对电渗张量的影响。为了确定从扁球形椭圆体到球形的可能颗粒形状范围,采用了长宽比参数。此外,还探讨了各向异性比和扭曲度。本研究的控制方程包括质量连续性方程、平流-扩散方程、电双层泊松-玻尔兹曼方程以及以完全耦合方式求解电场的拉普拉斯方程。采用双尺度计算均质化技术来模拟受外部电效应影响的流体饱和周期介质。采用有限元方法以耦合方式求解多尺度和多物理场问题。结果表明,固体颗粒的壁zeta电位、长宽比和取向对电渗性有显著影响。此外,主要发现之一是 EDL 厚度对多孔介质的电渗透性、各向异性比和迂回度有重要影响。
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引用次数: 0
Editorial to the Special Issue: Reactive Transport in Porous Materials: Current Trends and Challenges 特刊社论:多孔材料中的反应传输:当前趋势与挑战
IF 2.7 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-01-25 DOI: 10.1007/s11242-024-02056-1
Zhidong Zhang, Ueli Angst, Barbara Lothenbach, Burkan Isgor
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引用次数: 0
Oil Ganglia Mobility Enhancement by Droplet Formation for Surfactant Flooding in Porous Media 在多孔介质中通过形成液滴提高表面活性剂灌注的油层流动性
IF 2.7 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-01-24 DOI: 10.1007/s11242-023-02050-z
B. Haney, T. Cochard, A. Julien, J. Wu, R. Davis, L. Xiao, D. A. Weitz, Y.-Q. Song

We study the formation of oil droplets from an initially trapped large oil ganglion under surfactant flooding, using a microfluidic device consisting of a two-dimensional array of regularly spaced square posts. We observe that above a critical capillary number for oil mobilization, breakage of the ganglion results in the formation of either trapped patches spanning multiple pores or numerous mobile droplets that exit the device at a velocity comparable to the average flooding fluid velocity. These mobile droplets, however, are only observed when above a secondary capillary number threshold. The formation of these droplets is found to involve the simultaneous occurrence of three different passive droplet generation mechanisms where a droplet is formed as it is pulled by perpendicular fluid flow, as it is pulled by co-axial fluid flow, and or as it splits due to collision with a post. Our results show that oil breakthroughs only occur when the oil is in the form of mobile droplets, suggesting that droplet formation can be an important condition for the mobility of residual oil in porous media. Additionally, this post-array microfluidic device can be used for the production of monodisperse droplets whose size can be controlled by the spacing of the posts.

我们使用一种由规则间隔的方形柱子组成的二维阵列构成的微流体装置,研究了在表面活性剂淹没的情况下,最初被困的大油团形成油滴的情况。我们观察到,当油流动的毛细管数超过临界值时,油块破裂会形成横跨多个孔隙的被困斑块或大量移动油滴,这些油滴以与淹没流体平均速度相当的速度流出装置。不过,这些移动液滴只有在超过二级毛细管数量阈值时才能观察到。我们发现,这些液滴的形成涉及三种不同的被动液滴生成机制,即液滴在垂直流体的牵引下形成、在同轴流体的牵引下形成、或在与柱子碰撞而分裂时形成。我们的研究结果表明,只有当油液以移动液滴的形式存在时,才会发生油液突破,这表明液滴的形成可能是残留油液在多孔介质中流动的一个重要条件。此外,这种后阵列微流体装置还可用于生产单分散液滴,其大小可通过柱子间距来控制。
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引用次数: 0
Convective Drying of Porous Media: Comparison of Phase-Field Simulations with Microfluidic Experiments 多孔介质的对流干燥:相场模拟与微流控实验的比较
IF 2.7 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-01-23 DOI: 10.1007/s11242-023-02051-y
Lukas Maier, Sebastian Brosch, Magnus Gaehr, John Linkhorst, Matthias Wessling, Ulrich Nieken

Convective drying of porous media is central to many engineering applications, ranging from spray drying over water management in fuel cells to food drying. To improve these processes, a deep understanding of drying phenomena in porous media is crucial. Therefore, detailed simulation of multiphase flows with phase change is of great importance to investigate the complex processes involved in drying porous media. While many studies aim to access the phenomena solely by simulations, here we succeed to compare comprehensively simulations with an experimental methodology based on microfluidic multiphase flow studies in engineered porous media. In this contribution, we propose a Navier–Stokes Cahn–Hilliard model coupled with balance equations for heat and moisture to simulate the two-phase flow with phase change. The phase distribution of the two fluids air and water is modeled by the Phase-Field equation. Comparisons with experiments are rare in the literature and usually involve very simple cases. We compare our simulation with convective drying experiments of porous media. Experimentally, the interface propagation of the water–air interface was visualized in detail during drying in a structured microfluidic cell made from PDMS. The drying pattern and the drying time in the experiment are very well reproduced by our simulation. This validation will enable the application for the presented Navier–Stokes Cahn–Hilliard model in more complex cases focused more on applications, e.g., in the field of fibrous materials.

摘要 多孔介质的对流干燥是许多工程应用的核心,从燃料电池中水管理的喷雾干燥到食品干燥,不一而足。要改进这些过程,深入了解多孔介质中的干燥现象至关重要。因此,相变多相流的详细模拟对于研究多孔介质干燥的复杂过程非常重要。虽然许多研究的目的仅仅是通过模拟来了解这些现象,但在这里,我们成功地将模拟与基于工程多孔介质中微流体多相流研究的实验方法进行了全面比较。在这篇论文中,我们提出了一个纳维-斯托克斯-卡恩-希利亚德模型,并结合热量和水分平衡方程来模拟相变的两相流动。空气和水两种流体的相分布由相场方程建模。与实验的比较在文献中很少见,通常涉及非常简单的情况。我们将模拟结果与多孔介质的对流干燥实验进行了比较。实验中,我们详细观察了水-空气界面在由 PDMS 制成的结构化微流池内干燥过程中的界面传播。我们的模拟很好地再现了实验中的干燥模式和干燥时间。这一验证将使我们提出的 Navier-Stokes Cahn-Hilliard 模型能够应用于更复杂的情况,如纤维材料领域。
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引用次数: 0
Flow Characterization in a Partially Liquefied Vitreous Humor 部分液化玻璃体内的流动特征
IF 2.7 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-01-22 DOI: 10.1007/s11242-023-02052-x
Anahid Khoobyar, Anita Penkova, Mark S. Humayun, Andrei Irimia, Satwindar Singh Sadhal

The purpose of this study is to systematically examine the basic fluid dynamics associated with a fully liquid region within a porous material. This work has come about as a result of our investigation on the ocular fluid dynamics and transport process in a partially liquefied vitreous humor. The liquid is modeled as a sphere with Stokes flow while the surrounding infinite porous region is described by Brinkman flow. The development here provides basic three-dimensional axisymmetric results on flow characterization and also serves to evaluate the limits of validity of Darcy flow analysis for the same geometry. In the Darcy flow model, the liquid region is also treated as a porous region with a much higher permeability. Therefore, both liquid and porous regions are modeled by Darcy’s law. Besides the analytical results from Brinkman–Stokes model, the simpler case of Darcy–Darcy flow for the same geometry has been provided. The results of both cases are compared and the differences between the two sets of results provide the range of validity of our computational model (Khoobyar et al. in J Heat Transf 144:031208, 2022). Some interesting fluid-dynamical aspects of the system are observed through the analysis. For the Darcy–Darcy system, the liquid region velocity is uniform throughout, as expected for potential flow. With the Brinkman–Stokes model, the liquid region has a paraboloidal profile with the maximum possible peak value of six times the far-field velocity in the porous medium. With the liquid region having a lower resistance, the flow tends to converge there for both models as it seeks the path of least resistance. As for the validation of the Darcy–Darcy model, it is a good approximation as far as the exterior flow is concerned. However, the liquid region flow profiles for the two models are different as noted. The current Brinkman–Stokes model has led to explicit analytical solutions for the flow field for both regions. This has permitted an asymptotic analysis giving deeper insight into the flow characterization.

本研究的目的是系统研究多孔材料中完全液化区域的基本流体动力学。这项工作是我们对部分液化玻璃体的眼部流体动力学和传输过程进行研究的结果。液体被模拟成具有斯托克斯流的球体,而周围的无限多孔区域则由布林克曼流来描述。该研究提供了关于流动特征描述的基本三维轴对称结果,也可用于评估相同几何形状下达西流动分析的有效性极限。在达西流动模型中,液体区域也被视为渗透性更高的多孔区域。因此,液体区和多孔区均采用达西定律建模。除了布林克曼-斯托克斯模型的分析结果外,还提供了相同几何形状的达西-达西流动的更简单情况。对两种情况的结果进行了比较,两组结果之间的差异为我们的计算模型提供了有效范围(Khoobyar 等人,载于 J Heat Transf 144:031208, 2022)。通过分析可以观察到系统中一些有趣的流体力学方面。对于达西-达西系统,液体区域的速度在整个过程中都是均匀的,这是对势能流的预期。在布林克曼-斯托克斯模型中,液体区域具有抛物线轮廓,最大峰值为多孔介质中远场速度的六倍。由于液体区域的阻力较小,因此两种模型的水流都趋向于在该区域汇聚,因为水流会寻找阻力最小的路径。至于达西-达西模型的验证,就外部流动而言,它是一个很好的近似值。然而,如前所述,两种模型的液体区域流动曲线是不同的。目前的布林克曼-斯托克斯模型为这两个区域的流场提供了明确的分析解。这样就可以进行渐近分析,更深入地了解流动特征。
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引用次数: 0
Physical Variability in Meter-Scale Laboratory CO2 Injections in Faulted Geometries 断层地貌中米级实验室二氧化碳注入的物理变异性
IF 2.7 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-01-20 DOI: 10.1007/s11242-023-02047-8
Malin Haugen, Lluís Saló-Salgado, Kristoffer Eikehaug, Benyamine Benali, Jakub W. Both, Erlend Storvik, Olav Folkvord, Ruben Juanes, Jan Martin Nordbotten, Martin A. Fernø

Carbon, capture, and storage (CCS) is an important bridging technology to combat climate change in the transition toward net-zero. The FluidFlower concept has been developed to visualize and study CO2 flow and storage mechanisms in sedimentary systems in a laboratory setting. Meter-scale multiphase flow in two geological geometries, including normal faults with and without smearing, is studied. The experimental protocols developed to provide key input parameters for numerical simulations are detailed, including an evaluation of operational parameters for the FluidFlower benchmark study. Variability in CO2 migration patterns for two different geometries is quantified, both between 16 repeated laboratory runs and between history-matched models and a CO2 injection experiment. The predicative capability of a history-matched model is then evaluated in a different geological setting.

碳捕集与封存(CCS)是在向净零排放过渡过程中应对气候变化的一项重要桥梁技术。流体之花(FluidFlower)概念的开发是为了在实验室环境中可视化研究沉积系统中的二氧化碳流动和封存机制。研究了两种地质几何形状下的米级多相流,包括有涂抹和无涂抹的正断层。详细介绍了为数值模拟提供关键输入参数而开发的实验协议,包括对 FluidFlower 基准研究的运行参数的评估。对两种不同几何形状的二氧化碳迁移模式的可变性进行了量化,既包括 16 次重复实验室运行之间的可变性,也包括历史匹配模型与二氧化碳注入实验之间的可变性。然后在不同的地质环境中对历史匹配模型的预测能力进行了评估。
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引用次数: 0
Assisted Upscaling of Miscible CO2-Enhanced Oil Recovery Floods Using an Artificial Neural Network-Based Optimisation Algorithm 利用基于人工神经网络的优化算法辅助提高可混溶二氧化碳强化采油洪水的规模
IF 2.7 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-01-18 DOI: 10.1007/s11242-023-02049-6
P. Ogbeiwi, K. D. Stephen

Due to the high computing cost of the fine-scale compositional simulations needed to effectively model miscible CO2 flooding, upscaling techniques are needed to approximate the behaviour of these fine-scale grids on more realistic coarse-scale models. The use of transport coefficients to better represent small-scale interactions, such as the time-dependent flux of the components within the hydrocarbon phases (molecular diffusion), and the pseudoisation of relative permeabilities to ensure the matching of large-scale effects, such as the volumetric fluxes of the phases, are two of these procedures. Most times, a mismatch between the phase fluxes of the integrated fine-scale and that of the coarse-scale is observed. By adjusting or calibrating some of the generated coarse-scale pseudo functions, such as the transport coefficients, absolute permeability, or relative permeability endpoints, the accuracy of the upscaling results can be improved. This procedure can be treated a reservoir history matching problem which is typically computationally expensive. In this study, we provide a framework for representing the dynamics of small-scale molecular diffusion and macro-scale heterogeneity-induced channelling related to miscible CO2 displacements on upscaled coarser grid reservoir models. The method used was based on the pseudoisation of relative permeability and transport coefficients and was applied to two benchmark reservoir models from the Society of Petroleum Engineers (SPE). Our results demonstrated that using effectively calibrated transport coefficients improved the upscaling results, so that the  calculated pseudo-relative permeability functions can be ignored. We proposed a unique approach to upscaling miscible floods that utilised a genetic algorithm and a neural-network-based proxy model to minimise the associated computing cost. The data-driven approximation model considerably decreased the computing cost associated with the assisted tuning technique, and the optimisation algorithm was used to reduce the error between the predictions of the upscaled models. In conclusion, the methodology described in this study effectively captured the small- and large-scale behaviour related to the miscible displacements on upscaled coarse-scale reservoir models while reduced associated computational costs.

由于建立有效的混溶二氧化碳淹没模型所需的细尺度成分模拟计算成本很高,因此需要采用放大技术,以便在更逼真的粗尺度模型上近似这些细尺度网格的行为。使用传输系数来更好地表示小尺度的相互作用,如碳氢化合物相内各组分随时间变化的通量(分子扩散),以及伪化相对渗透率以确保与大尺度效应(如各相的体积通量)相匹配,就是其中的两种程序。在大多数情况下,会观察到综合细尺度的相通量与粗尺度的相通量不匹配。通过调整或校准生成的一些粗尺度伪函数,如运移系数、绝对渗透率或相对渗透率端点,可以提高放大结果的精度。这一过程可视为储层历史匹配问题,通常计算成本较高。在本研究中,我们提供了一个框架,用于在放大的较粗网格储层模型上表示与混溶二氧化碳位移相关的小尺度分子扩散动态和宏观尺度异质诱导导流动态。所使用的方法基于相对渗透率和运移系数的伪化,并应用于石油工程师学会(SPE)的两个基准储层模型。结果表明,使用经过有效校准的运移系数可以改善上调结果,从而可以忽略计算出的伪相对渗透率函数。我们提出了一种独特的方法,利用遗传算法和基于神经网络的代理模型对可混入洪水进行上调,以最大限度地降低相关计算成本。数据驱动的近似模型大大降低了与辅助调整技术相关的计算成本,而优化算法则用于减小升级模型预测之间的误差。总之,本研究介绍的方法有效地捕捉了放大粗尺度储层模型中与混溶位移相关的小尺度和大尺度行为,同时降低了相关计算成本。
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引用次数: 0
Numerical Model of Chloride Reactive Transport in Concrete—A Review 混凝土中氯化物反应迁移的数值模型--综述
IF 2.7 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-01-18 DOI: 10.1007/s11242-023-02053-w
Bingbing Guo, Ruichang Yu, Zhidong Zhang, Yan Wang, Ditao Niu

The study reviews the theoretical models, numerical implementation and practical applications of chloride reactive transport in concrete. Thermodynamic modeling is capable of accurately predicting chloride binding behaviors across the entire concentration range. It also considers the impact of the pH variation in the pore solution. Thus, the reactive transport model, integrating thermodynamic calculations into transport equations, can provide a more comprehensive representation of chloride ingress in concrete. Furthermore, we discuss the effects of water transport and external stresses on chloride reactive transport. In addition to the well-known advection phenomenon, water transport has the ability to alter the effective transport pathway and influence chloride binding reactions. These three influences exhibit typical temporal and spatial characteristics. Capturing the temporal and spatial characteristics in chloride reactive transport model can be achieved by continuously updating the saturation degree and chloride diffusion coefficient at each finite element mesh node. The effect of stress on chloride reactive transport can be categorized into two scenarios based on the response of transport pathway to external loads: (1) high stress levels, which result in the formation of cracks in concrete, and (2) low stress levels, where concrete remains crack-free. Quantitating the influence of stress levels on the transport pathway is crucial for simulating chloride reactive transport.

摘要 本研究回顾了混凝土中氯离子反应迁移的理论模型、数值实现和实际应用。热力学模型能够准确预测整个浓度范围内的氯化物结合行为。该模型还考虑了孔隙溶液中 pH 值变化的影响。因此,反应迁移模型将热力学计算与迁移方程相结合,可以更全面地反映混凝土中的氯离子侵入情况。此外,我们还讨论了水的迁移和外部应力对氯离子反应迁移的影响。除了众所周知的平流现象外,水的迁移还能改变有效迁移路径并影响氯化物的结合反应。这三种影响表现出典型的时空特征。通过不断更新每个有限元网格节点上的饱和度和氯离子扩散系数,可以在氯离子反应迁移模型中捕捉时空特征。应力对氯离子反应迁移的影响可根据迁移路径对外部荷载的响应分为两种情况:(1) 高应力水平,导致混凝土形成裂缝;(2) 低应力水平,混凝土保持无裂纹状态。量化应力水平对迁移路径的影响对于模拟氯离子反应迁移至关重要。
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Transport in Porous Media
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