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Irreversible Reaction in Chromatography: Equilibrium Dispersive Model in Two-Dimensional Geometry 色谱中的不可逆反应:二维几何中的平衡色散模型
IF 2.6 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-11-12 DOI: 10.1007/s11242-025-02254-5
Rafay Mustafa, Farman U. Khan

The main theme of this article is to find analytically the solution of an irreversible reaction of two components in liquid chromatography. The two-dimensional flow is considered in a closed channel, namely, the chromatographic column. The mathematical model, known as the equilibrium dispersive model (EDM), comprises two partial differential equations. Chemical reaction, dispersion in both radial and axial directions, and convection occur and are reflected in the model. A linear Langmuir adsorption isotherm is used for continuous flow and rectangular pulse injection. Application of Laplace and Hankel transformations is used as a basic tool for the solution. Hankel transformation is useful to tackle the radial effect of the flow, and Laplace transformed solution is important in very important for moment analysis in chromatography. The analytical solution, if possible, is verified using the high-resolution finite volume scheme. In case where no exact analytical solution is possible, we used the numerical Laplace inversion for the solution. Two well-known boundary conditions Dirichlet and Danckwert’s are used at inlet of the flow channel in combination with Neumann condition at outlet of the flow channel. The effects of key parameters ((mu), (D_z), and v) involved in our model on the behavior of the solution concentration of the components, such as peak sharpness and retention time, have been discussed. This physically validates the transport mechanism involved in the process.

本文的主题是在液相色谱中寻找两组分不可逆反应的解析解。二维流动被认为是在一个封闭的通道中,即色谱柱中。该数学模型称为平衡色散模型(EDM),由两个偏微分方程组成。化学反应、径向和轴向弥散以及对流都发生并反映在模型中。线性Langmuir吸附等温线用于连续流动和矩形脉冲注射。应用拉普拉斯变换和汉克尔变换作为求解的基本工具。汉克尔变换在处理流体的径向效应时很有用,而拉普拉斯变换溶液在色谱中的矩分析中非常重要。解析解,如果可能的话,使用高分辨率有限体积方案进行验证。在没有精确解析解的情况下,我们对解使用了数值拉普拉斯逆变换。在流道入口处采用了Dirichlet和Danckwert边界条件,在流道出口处采用了Neumann边界条件。我们讨论了模型中涉及的关键参数((mu), (D_z)和v)对组分溶液浓度行为的影响,如峰锐度和保留时间。这在物理上验证了过程中涉及的传输机制。
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引用次数: 0
Assessing the Effect of Capillary Suction in Foam Front Displacement Within Porous Media 多孔介质中毛细吸力对泡沫前缘位移影响的评价
IF 2.6 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-11-12 DOI: 10.1007/s11242-025-02258-1
Paul Grassia, Yali Tang, David Rieder, Maja Rücker, Carlos Torres-Ulloa, Yaw Boakye-Ansah

Foam is often used to displace liquid from porous media, as it produces more stable displacements than using solely gas as a displacing fluid. A model is considered for the foam displacement process in geological applications. The liquid saturation field is divided into an outer region (in which capillary suction effects can be neglected) and an inner region (in which capillary suction effects are retained). The outer region solution exhibits a discontinuous jump in liquid saturation, sometimes referred to as a shock. The inner region solution is a travelling wave that is superposed across that jump. The focus here is upon the inner region. The liquid saturation profile across the inner region is shown to be asymmetric, with abrupt changes for high liquid saturations but gradual changes for lower liquid saturations. These gradual changes should be taken into account when matching onto the outer region. The inner region is predicted to be of small extent, but also accesses fluid mobilities which are much lower than those in the outer region. However, the very lowest mobilities are only attained within a tiny part of the inner region in which saturation is still changing abruptly. In much of the inner region, mobility is only marginally less than in the outer region. Hence, the presence of the inner region does not significantly enhance flow resistance of the foam displacement process. Consequently, the inner region should have little impact on the ability of foam to produce stable displacement processes in porous media.

泡沫通常用于从多孔介质中置换液体,因为它比单独使用气体作为置换流体产生更稳定的置换。考虑了地质应用中泡沫位移过程的模型。液体饱和场分为外区(可以忽略毛细吸力作用)和内区(保留毛细吸力作用)。外区溶液表现出液体饱和度的不连续跳跃,有时称为激波。内部区域的解是叠加在跳跃上的行波。这里的重点是内部区域。整个内部区域的液体饱和度曲线是不对称的,高液体饱和度的变化是突然的,低液体饱和度的变化是逐渐的。在对外部区域进行匹配时,应考虑到这些渐变。预测内部区域的范围较小,但流体流动性也远低于外部区域。然而,最低的流动性仅在饱和度仍在突然变化的内部区域的一小部分内达到。在大部分内陆地区,流动性只是略低于外围地区。因此,内部区域的存在并没有显著增强泡沫置换过程的流动阻力。因此,内部区域应该对泡沫在多孔介质中产生稳定位移过程的能力影响不大。
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引用次数: 0
Spontaneous Imbibition and Forced Water Injection in Mixed-Wet Multiscale Oolitic Limestone Studied Through the Differential Imaging-Based Porous Plate Technique 基于差示成像多孔板技术研究混湿多尺度鲕状灰岩的自发吸胀和强制注水
IF 2.6 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-11-09 DOI: 10.1007/s11242-025-02248-3
Anindityo Patmonoaji, Asli S. Gundogar, Qianqian Ma, Mohamed Regaieg, Martin J. Blunt, Branko Bijeljic

Understanding imbibition in multiscale porous carbonates is essential for predicting fluid distribution in subsurface applications. We measured the capillary pressure for spontaneous imbibition and forced water injection in a mixed-wet multiscale oolitic limestone with distinct macro-, intermediate-size-, and micropore structure using the differential imaging-based porous plate (DIPP) technique. Spontaneous imbibition was found to occur through water-wet micropore channels, whereas forced water injection was dominated by the flow in mixed-wet and oil-wet macro-pores with residual oil found in pores of intermediate size. The analysis of contact angle, curvature, macro-pore occupancy, and overall water Amott index demonstrated mixed-wet-to-oil-wet conditions, resulting in a percolation-like advance during forced water injection. The water Amott index calculated on each pore size classification indicated water-wet micropores and oil-wet intermediate-size- and macro-pores. Our results highlight the role of micropores in sustaining water flow at low saturation and the role of intermediate-size-pores in retaining residual oil, advancing the predictive understanding of fluid behavior in carbonate reservoirs.

了解多尺度多孔碳酸盐的渗吸作用对于预测地下应用中的流体分布至关重要。我们使用差分成像多孔板(DIPP)技术测量了一种具有不同宏观、中等和微孔结构的混合湿多尺度鲕状石灰岩的自发吸胀和强制注水毛细管压力。自发渗吸主要发生在水湿微孔通道中,而强制注水主要发生在混合湿和油湿大孔中,残余油分布在中等大小的孔隙中。对接触角、曲率、大孔隙占用率和总体水Amott指数的分析表明,混合湿-油-湿条件导致强制注水过程中出现类似渗流的推进。各孔径分类计算的水Amott指数为水湿微孔和油湿中、大孔。研究结果强调了微孔在低饱和度下维持水流动的作用,以及中等大小孔隙在保留剩余油方面的作用,促进了对碳酸盐岩储层流体行为的预测认识。
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引用次数: 0
Determination of the Applied Thermal Tortuosity of Porous Media with Macroscopic Geometric Parameters Using a Neural Network Model 用神经网络模型确定具有宏观几何参数的多孔介质的应用热弯曲度
IF 2.6 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-11-09 DOI: 10.1007/s11242-025-02246-5
Yan Jin, Arne Speerforck, Andrey V. Kuznetsov

The tortuosity of a porous medium has a significant effect on heat transfer through it, but this effect is difficult to quantify. In this study, we have developed the concept of applied thermal tortuosity and the thermal tortuosity function which characterizes the effect of porous medium geometry and the thermal conductivity ratio on the averaged path length of heat conduction in a porous medium. We have also proposed new macroscopic geometric parameters of porous media that can better describe the complexity of the porous media geometry. The relationship between the macroscopic geometric parameters and the developed thermal tortuosity function was established by using a neural network model. We used the developed thermal tortuosity function to calculate effective thermal conductivity, which can be applied in the thermal energy equation. Computations were performed for arbitrary two-dimensional porous media. Despite the model’s uncertainties, the developed neural network model is significantly more accurate than empirical correlations for determining the effective thermal conductivity. Optimization of the neural network architecture can further improve the accuracy of the model, but the problem of uncertainty cannot be completely solved. The study shows the importance of embedding the established knowledge of transport in porous media into the neural network model to improve its accuracy.

多孔介质的弯曲度对传热有显著影响,但这种影响难以量化。在本研究中,我们提出了应用热扭曲度的概念以及表征多孔介质几何形状和导热系数对多孔介质中热传导平均路径长度影响的热扭曲度函数。我们还提出了新的多孔介质宏观几何参数,可以更好地描述多孔介质几何的复杂性。利用神经网络模型建立了宏观几何参数与发育的热弯曲函数之间的关系。利用建立的热扭曲函数计算有效导热系数,并将其应用于热能方程。对任意二维多孔介质进行了计算。尽管模型存在不确定性,但开发的神经网络模型在确定有效导热系数方面明显比经验关联更准确。神经网络结构的优化可以进一步提高模型的精度,但不能完全解决不确定性问题。研究表明,将已建立的多孔介质输运知识嵌入到神经网络模型中对于提高其准确性具有重要意义。
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引用次数: 0
The Effect of Viscous Dissipation on the Darcy–Bénard Problem: Weakly Nonlinear Analysis and Strongly Nonlinear Computations 粘性耗散对darcy - b<s:1>问题的影响:弱非线性分析和强非线性计算
IF 2.6 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-11-09 DOI: 10.1007/s11242-025-02229-6
D. Andrew S. Rees, P. G. Siddheshwar

We consider the effect of viscous dissipation on the onset and nonlinear development of two-dimensional convection in a unit enclosure heated from below. First, we show that the linear theory is unchanged from that which arises when viscous dissipation is absent. Second, a weakly nonlinear analysis shows that convection becomes weaker with increasing values of ({widetilde{textrm{Ge}}}), a modified Gebhart number. In addition, the rate of heat transfer at the lower and upper sufaces differ from one another. Third, nonlinear convection is found to lose both up/down and left/right symmetry as both ({widetilde{textrm{Ge}}}) and (textrm{Ra}) (the Darcy–Rayleigh number) increase. It is also found that once viscous dissipation increases in strength to unphysically large amounts, then the maximum temperature migrates from the lower boundary to the interior of the enclosure.

我们考虑了粘性耗散对从下加热的单元壳体中二维对流的开始和非线性发展的影响。首先,我们证明了当没有粘性耗散时,线性理论是不变的。其次,弱非线性分析表明,对流随着修正Gebhart数({widetilde{textrm{Ge}}})的增大而减弱。此外,上下表面的传热速率彼此不同。第三,非线性对流随着({widetilde{textrm{Ge}}})和(textrm{Ra})(达西-瑞利数)的增加而失去上下和左右对称。研究还发现,一旦粘性耗散强度增加到非物理量,则最高温度从下边界向外壳内部迁移。
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引用次数: 0
Laminar Forced Convection in a Porous Circular Microduct with Wall Roughness Effects 考虑壁面粗糙度效应的多孔圆形微管道层流强迫对流
IF 2.6 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-11-06 DOI: 10.1007/s11242-025-02249-2
M. Celli, A. Barletta

The study presented in this paper is devoted to the laminar forced convection heat transfer in a porous microduct with a circular cross section. At small cross-section scales, the effects of roughness at the duct walls may be important for the evaluation of the heat transfer rate. The analysis aims to provide the Nusselt number as a quantity dependent on the boundary shape uncertainty by averaging over statistical samples of microducts having different roughness distributions generated randomly. Each statistical sample refers to a prescribed ratio between the maximum size of the wall roughness and the microduct nominal radius, and to a prescribed number of nodes employed to draw the boundary shape. Boundary conditions of either uniform wall temperature (T condition) or wall heating (H1 or H2 conditions) are considered. The results show that both the roughness and the number of nodes defining the microduct cross-sectional shape tend to inhibit the heat transfer: a sufficiently high value of the roughness amplitude may halve the Nusselt number relative to the smooth case. The Nusselt number obtained for the H2 condition decreases faster with the roughness amplitude compared with the Nusselt number obtained for the T and H1 conditions.

本文研究了圆截面多孔微管道内的层流强制对流换热问题。在小截面尺度下,管道壁面粗糙度的影响可能对传热率的评估很重要。该分析旨在通过对随机生成的具有不同粗糙度分布的微管的统计样本进行平均,提供依赖于边界形状不确定性的努塞尔数。每个统计样本是指壁面粗糙度的最大尺寸与微管道公称半径之间的规定比例,以及用于绘制边界形状的规定节点数。考虑壁面温度均匀(T条件)或壁面加热(H1或H2条件)的边界条件。结果表明,粗糙度和定义微管截面形状的节点数都倾向于抑制传热:相对于光滑情况,足够高的粗糙度振幅值可能使努塞尔数减半。与T和H1条件下的Nusselt数相比,H2条件下的Nusselt数随粗糙度幅度的减小更快。
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引用次数: 0
Isoflux Darcy–Forchheimer–Bénard Convection: Dual Extended Hadley Circulation 等通量darcy - forchheimer - bsamadard对流:双扩展Hadley环流
IF 2.6 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-11-06 DOI: 10.1007/s11242-025-02247-4
Mustafa Turkyilmazoglu, Abdulaziz Alotaibi

This study extends the classical Darcy–Bénard convection problem for isoflux thermal conditions in a horizontal porous layer with basic cellular flow and Hadley circulation to incorporate the Forchheimer effect taking care of inertial effects at medium/high flow rates. The traditional Darcy–Bénard problem can be considered a limiting case of this extension, omitting the circulation in an infinitely wide single cell. Three key parameters govern the basic circulation and temperature fields in this isoflux Darcy–Forchheimer–Bénard problem: the Forchheimer resistance number, the Rayleigh number, and the horizontal temperature gradient parameter. Although solutions are unique in the classical Darcy flow, dual Hadley solutions are detected in the Forchheimer extended Darcy flow valid for certain limited Forchheimer resistance number. Despite the fact that these solutions are asymmetric themselves, unlike the symmetric structure in the classical Hadley cell, dual solutions are formed as the symmetric part of each other with respect to a movable point. While the temperature gradient parameter enhances and readjusts the temperature distribution through the porous layer, the Forchheimer resistive force is shown to conversely reduce the magnitude of the cellular circulation and lower the overall temperature of the porous media in one instance, it increases in the other, exhibiting contrasting thermal behavior.

本研究扩展了具有基本细胞流和Hadley环流的水平多孔层中等通量热条件下的经典darcy - bsamadard对流问题,纳入了考虑中/高流速下惯性效应的Forchheimer效应。传统的darcy - bassanard问题可以被认为是这种扩展的一种极限情况,它忽略了无限宽的单个细胞中的循环。在等通量darcy - Forchheimer - bsamadard问题中,三个关键参数控制着基本环流和温度场:Forchheimer电阻数、Rayleigh数和水平温度梯度参数。尽管在经典达西流中解是唯一的,但在Forchheimer扩展达西流中发现了对偶Hadley解,该解对一定的有限Forchheimer阻力数有效。尽管这些解本身是不对称的,但与经典哈德利细胞的对称结构不同,对偶解是作为彼此相对于一个可移动点的对称部分形成的。温度梯度参数增强并调整了多孔层的温度分布,而Forchheimer阻力在一种情况下反而降低了细胞循环的大小,降低了多孔介质的整体温度,而在另一种情况下则增加了多孔介质的整体温度,表现出不同的热行为。
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引用次数: 0
Navigating Gradient-Based Motion Patterns: Modeling and Advanced Simulation of Microorganism Thermotaxis in Porous Media 基于梯度的运动模式导航:多孔介质中微生物热亲和性的建模和高级模拟
IF 2.6 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-10-29 DOI: 10.1007/s11242-025-02242-9
My Thi Nguyen, Tri Nguyen-Quang

This study presents advanced numerical simulation of thermotaxis behavior in thermotactic microorganisms suspended within a fluid-saturated porous medium. Based on our previously established linear stability analysis framework, we extend the investigation to supercritical regimes, where thermotactic bioconvection patterns emerge due to the dynamic coupling between microorganism motility, thermal diffusion, and induced fluid flow. The mathematical formulation employs volume-averaged governing equations incorporating Darcy’s law and the Boussinesq approximation, with a focus on key dimensionless parameters including the Peclet number (Pe), Lewis number (Le), thermal Rayleigh number (RaT), and bioconvection Rayleigh number (RaN).The simulation explores various heating configurations—namely heated-from-below and heated-from-above—demonstrating how Pe modulates the onset of pattern formation, while Le exerts a stabilizing influence. This research provides the first numerical evidence of thermotactic bioconvection beyond critical thresholds in porous media. The findings elucidate fundamental mechanisms governing microorganism gradient-based motion and have potential applications in biosystems modeling, including thermally guided sperm migration, and explanations for Harmful Algal Bloom formation on water surfaces. The interplay between parameters offers a comprehensive insight into the regulation of bioconvection regimes, contributing to broader understanding in biological transport phenomena, microfluidics, and environmental modeling.

本研究提出了在流体饱和多孔介质中悬浮的热致微生物的亲热性行为的先进数值模拟。基于我们之前建立的线性稳定性分析框架,我们将研究扩展到超临界状态,在超临界状态下,由于微生物运动,热扩散和诱导流体流动之间的动态耦合,热致性生物对流模式出现。数学公式采用结合达西定律和Boussinesq近似的体积平均控制方程,重点关注关键的无因次参数,包括Peclet数(Pe)、Lewis数(Le)、热瑞利数(RaT)和生物对流瑞利数(RaN)。模拟探索了不同的加热配置——即从下面加热和从上面加热——展示了Pe如何调节模式形成的开始,而Le发挥稳定的影响。本研究首次提供了多孔介质中热致性生物对流超过临界阈值的数值证据。这些发现阐明了控制微生物梯度运动的基本机制,并在生物系统建模中具有潜在的应用,包括热引导精子迁移,以及解释水面上有害藻华的形成。参数之间的相互作用提供了一个全面的洞察到生物对流制度的调节,有助于在生物传输现象,微流体和环境建模更广泛的理解。
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引用次数: 0
A 3D DFN-Based Numerical Analysis and Economic Evaluation for Heat Extraction Performance of Geothermal Doublet System 基于三维dfn的地热双峰系统抽热性能数值分析与经济评价
IF 2.6 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-10-26 DOI: 10.1007/s11242-025-02244-7
Xinxin Li, Hui Yao, Wenping Gong

Enhanced geothermal system (EGS), typically designed as a doublet of injection and production wells, is a promising approach to exploit hot dry rock (HDR) resources. However, modeling fluid flow and heat transfer in fractured reservoirs remains challenging due to multi-scale fracture heterogeneities and coupled interactions. This study develops a three-dimensional discrete fracture network (DFN)-based thermal-hydraulic coupling model solved by the finite element method (FEM) to efficiently evaluate the heat extraction performance of fractured HDR reservoirs. The developed modeling scheme is validated against analytical and numerical benchmarks, and then applied to a large-scale fractured geothermal reservoir. Results show that the heterogeneity of the fracture network leads to a highly uneven temperature distribution, with the cold front advancing along the primary percolating fracture network pathways. Higher injection temperature and larger fracture aperture accelerate the geothermal reservoir cooling, while the increased well spacing extends EGS lifetime and reduce the electricity cost. This research provides deeper insights into the development of 3D EGS and supports the optimization of operational parameters and economic feasibility.

增强型地热系统(EGS)通常被设计为注入井和生产井的双重结构,是开发热干岩(HDR)资源的一种很有前途的方法。然而,由于多尺度裂缝的非均质性和耦合相互作用,裂缝性储层的流体流动和传热建模仍然具有挑战性。建立了基于三维离散裂缝网络(DFN)的热-水力耦合模型,并采用有限元方法求解,以有效评价裂缝性HDR储层的采热效果。通过分析和数值基准验证了所建立的模型方案,并将其应用于某大型裂缝性地热储层。结果表明:裂缝网络的非均质性导致温度分布极不均匀,冷锋沿主要渗透裂缝网络路径推进;更高的注入温度和更大的裂缝孔径加速了地热储层的冷却,同时增加的井距延长了EGS的使用寿命,降低了电力成本。这项研究为3D EGS的发展提供了更深入的见解,并为操作参数的优化和经济可行性提供了支持。
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引用次数: 0
Numerical Investigation of Preferential Flow Paths in Enzymatically Induced Calcite Precipitation Supported by Bayesian Model Analysis 基于贝叶斯模型分析的酶促方解石沉淀优先流动路径数值研究
IF 2.6 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-10-26 DOI: 10.1007/s11242-025-02240-x
Rebecca Kohlhaas, Johannes Hommel, Felix Weinhardt, Holger Class, Sergey Oladyshkin, Bernd Flemisch

The usability of enzymatically induced calcium carbonate precipitation (EICP) as a method for altering porous media properties, soil stabilization, or biocementation depends on our ability to predict the spatial distribution of the precipitated calcium carbonate in porous media. While current REV-scale models can reproduce the main features of laboratory experiments, they neglect effects like the formation of preferential flow paths and the appearance of multiple polymorphs of calcium carbonate with differing properties. We show that extending an existing EICP model by the conceptual assumption of a mobile precipitate, amorphous calcium carbonate (ACC), allows for the formation of preferential flow paths when the initial porosity is heterogeneous. We apply sensitivity analysis to understand the influence of characteristic parameters of ACC that are uncertain or unknown, and compare two model variations based on different formulations of the ACC detachment term to analyze the plausibility of our hypothesis. An arbitrary polynomial chaos (aPC) surrogate model is trained based on the full model and used to reduce the computational cost of this study.

酶促碳酸钙沉淀(EICP)作为一种改变多孔介质性质、土壤稳定或生物胶结的方法的可用性取决于我们预测沉淀碳酸钙在多孔介质中的空间分布的能力。虽然目前的REV-scale模型可以再现实验室实验的主要特征,但它们忽略了诸如优先流动路径的形成以及具有不同性质的碳酸钙的多种多晶型的出现等影响。我们表明,通过移动沉淀物无定形碳酸钙(ACC)的概念假设扩展现有的EICP模型,允许在初始孔隙率是非均质时形成优先流动路径。我们运用敏感性分析来了解不确定或未知的ACC特征参数的影响,并比较基于ACC脱离项不同公式的两种模型变化来分析我们假设的合理性。在全模型的基础上训练任意多项式混沌(aPC)代理模型,以减少本研究的计算成本。
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引用次数: 0
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Transport in Porous Media
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