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Pore-Scale and Upscaled Investigations of Release and Transport of Lithium in Organic-Rich Shales 富有机页岩中锂的释放和迁移的孔隙尺度和放大研究
IF 2.7 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-03-08 DOI: 10.1007/s11242-024-02071-2
Jiahui You, Kyung Jae Lee

To meet the extensive demand for lithium (Li) for rechargeable batteries, it is crucial to enhance Li production by diversifying its resources. Recent studies have found that produced water from shale reservoirs contains various organic and inorganic components, including a significant amount of Li. In this study, findings from hydrothermal reaction experiments were analyzed to fully understand the release of Li from organic-rich shale rock. Subsequently, numerical algorithms were developed for both pore-scale and continuum-scale models to simulate the long-term behavior of Li in shale brines. The experimental conditions considered four different hydrothermal solutions, including the solutions of KCl, MgCl2, CaCl2, and NaCl with various concentrations under the temperature of 130 °C, 165 °C, and 200 °C. The release of Li from shale rock into fluid was regarded as a chemical interaction of cation exchange between rock and fluid. The reactive transport pore-scale and upscaled continuum-scale models were developed by coupling the chemical reaction model of Li interaction between rock and fluid. The model was first implemented to investigate the release and transport of Li in the pore scale. Continuum-scale properties, such as effective diffusivity coefficients and Li release rate, were obtained as the field-averaged pore-scale modeling results. These properties were used as the input data for the upscaled continuum-scale simulation. The findings of this study are expected to provide new insight into the production of Li from shale brines by elucidating the release, fate, and transport of Li in subsurface formations.

为了满足可充电电池对锂(Li)的广泛需求,通过多样化的资源来提高锂的产量至关重要。最近的研究发现,页岩储层的产水含有各种有机和无机成分,其中包括大量的锂。本研究分析了热液反应实验的结果,以全面了解富含有机物的页岩释放锂的情况。随后,开发了孔隙尺度和连续尺度模型的数值算法,以模拟锂在页岩盐水中的长期行为。实验条件考虑了四种不同的热液溶液,包括不同浓度的 KCl、MgCl2、CaCl2 和 NaCl 溶液,温度分别为 130 ℃、165 ℃ 和 200 ℃。锂从页岩释放到流体中被视为岩石与流体之间阳离子交换的化学作用。通过耦合锂在岩石和流体之间相互作用的化学反应模型,建立了反应输运孔隙尺度和放大连续尺度模型。该模型首先用于研究 Li 在孔隙尺度上的释放和迁移。根据现场平均孔隙尺度建模结果,获得了连续尺度属性,如有效扩散系数和锂释放率。这些属性被用作放大连续尺度模拟的输入数据。通过阐明锂在地下地层中的释放、归宿和迁移,这项研究的结果有望为页岩盐水中锂离子的生产提供新的见解。
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引用次数: 0
Correction: Effects of Intra-REV Pore Distribution Modeling in the Flow of Non-Newtonian Fluids in Porous Media 更正:非牛顿流体在多孔介质中流动时 REV 内孔隙分布模型的影响
IF 2.7 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-03-08 DOI: 10.1007/s11242-024-02063-2
Allan B. G. Motta, Roney L. Thompson, Mateus P. Schwalbert, Luiz F. L. R. Silva, Jovani L. Favero, Rodrigo A. C. Dias, Raphael J. Leitão
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引用次数: 0
Correction: Water Upconing in Underground Hydrogen Storage: Sensitivity Analysis to Inform Design of Withdrawal 更正:地下储氢中的水上升:敏感性分析为取水设计提供依据
IF 2.7 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-03-08 DOI: 10.1007/s11242-024-02066-z
Curtis M. Oldenburg, Stefan Finsterle, Robert C. Trautz
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引用次数: 0
Effects of Hyporheic Exchange and Settlement on the Particle Size Distribution of Colloids 孔隙水交换和沉降对胶体粒径分布的影响
IF 2.7 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-03-06 DOI: 10.1007/s11242-024-02061-4
Zhongtian Zhang, Guangqiu Jin, Hongwu Tang, Wenhui Shao, Qihao Jiang, Xiaorong Zhou, Haiyu Yuan, David Andrew Barry

Colloid particle size plays an important role in contaminant adsorption and clogging in the hyporheic zone, but it remains unclear how the particle size changes during the transport of colloids. This study investigated the variation of the particle size of colloids in the overlying water and the effects of settlement and hyporheic exchange via laboratory experiments and numerical simulations with two main factors settlement and hyporheic exchange being considered. The results show that the particle size distribution varies when colloids transport in hyporheic zone, and both settlement and hyporheic exchange are involved in the exchange of colloids between stream and streambed. Large-sized particles are mainly controlled by settlement and advection and thus their concentration in the overlying water decreases more quickly; but small-sized particles are mainly controlled by hyporheic exchange and thus their concentration decreases more slowly, and some particles can be resuspended. The increase of retention coefficient and settling velocity will accelerate the transfer of colloids into the streambed. This study may provide important insights into the variation of the particle size of colloids in the overlying water and the effects of settlement and hyporheic exchange.

摘要 胶体粒径在底流区污染物吸附和堵塞过程中起着重要作用,但胶体在迁移过程中粒径如何变化仍不清楚。本研究通过实验室实验和数值模拟,研究了上覆水中胶体粒径的变化以及沉降和底流体交换的影响,主要考虑了沉降和底流体交换两个因素。结果表明,胶体在下垫面区迁移时,粒径分布会发生变化,沉降和下垫面交换都参与了溪流与河床之间的胶体交换。大颗粒主要受沉降和平流的控制,因此其在上覆水中的浓度下降较快;而小颗粒主要受微流体交换的控制,因此其浓度下降较慢,部分颗粒还可再悬浮。滞留系数和沉降速度的增加会加速胶体向河床的转移。这项研究可为了解上覆水中胶体粒径的变化以及沉降和流体交换的影响提供重要信息。
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引用次数: 0
Acknowledgement of Reviewers for 2023 鸣谢 2023 年审查员
IF 2.7 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-03-04 DOI: 10.1007/s11242-024-02057-0
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引用次数: 0
Pore-Scale Modeling of CO2 Injection Using Density Functional Hydrodynamics 利用密度函数流体力学建立二氧化碳注入的孔隙尺度模型
IF 2.7 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-02-27 DOI: 10.1007/s11242-024-02064-1
Oleg Dinariev, Nikolay Evseev, Alexander Sidorenkov, Leonid Dovgilovich, Mikhail Stukan, Maxim Fedorov

The pore-scale numerical modeling of CO2 injection into natural rock saturated with oil–water mixture was performed using the density functional hydrodynamics approach. The detailed 3D digital model of the sandstone core sample contained over 7 billion cells, which allowed us to perform analysis of oil displacement efficiency at different scales. Utilization of large-size detailed numerical models make it possible to characterize, both qualitatively and quantitatively, the processes at pore scale to the level of detail not achievable on smaller models. The obtained results indicate large-scale effects even on relatively heterogeneous core indicating possible need for multiscale hierarchical models even in heterogeneous cases. This fact imposes the demand for scalability performance on both the software and hardware used in such simulations, as well as the need for adequate modeling upscaling methods.

利用密度泛函流体力学方法,对二氧化碳注入饱和油水混合物的天然岩石进行了孔隙尺度数值建模。砂岩岩芯样本的详细三维数字模型包含超过 70 亿个单元,这使我们能够在不同尺度上对石油置换效率进行分析。利用大尺寸的详细数值模型,可以定性和定量地描述孔隙尺度的过程,其详细程度是较小模型无法达到的。所获得的结果表明,即使在相对异质的岩芯上也会产生大规模效应,这表明即使在异质情况下也可能需要多尺度分层模型。这就要求在此类模拟中使用的软件和硬件都具有可扩展性能,并需要适当的建模升级方法。
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引用次数: 0
Correction: A History Matching Study for the FluidFlower Benchmark Project 更正:流体花基准项目历史匹配研究
IF 2.7 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-02-25 DOI: 10.1007/s11242-024-02065-0
Xiaoming Tian, Michiel Wapperom, James Gunning, Samuel Jackson, Andy Wilkins, Chris Green, Jonathan Ennis-King, Denis Voskov
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引用次数: 0
Estimation of Fracture Permeability from Aperture Distributions for Rough and Partially Cemented Fractures 根据粗糙和部分胶结断裂的孔径分布估算断裂渗透率
IF 2.7 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-02-25 DOI: 10.1007/s11242-024-02059-y
Christopher J. Landry, Maša Prodanović, Zuleima Karpyn, Peter Eichhubl

Natural fractures in subsurface reservoirs are frequently partially cemented with mineral precipitates, and it is unclear if fracture permeability models developed for rough barren fractures are applicable for fractures where roughness originates from cement linings. Here, we use a digital rock physics workflow to quantify the error in fracture permeability predicted by these models for five digitally synthesized rough fractures and four fractures imaged using three-dimensional X-ray computed microtomography. Samples include a rough, artificially-induced barren fracture in sandstone, a cement-lined natural fracture in limestone sampled from outcrop, and two cement-bridged natural fractures in tight-gas sandstones sampled from reservoir core. The images are then processed, segmented, characterized to determine statistical moments of the aperture distribution, and used in lattice Boltzmann model flow simulations. We address complications in measuring aperture distributions from images when the fracture pore space morphology deviates from the typical theoretical description of rough fractures and evaluate three different methods of measuring local aperture. The alternative cubic law using the nominal mean aperture is found to overestimate fracture permeability by upwards of one to two orders of magnitude, while the fracture permeability models using statistical moments of the aperture distribution are far more accurate for both rough barren and partially cemented fractures. We also define an empirical description of the upper and lower bounds of fracture permeability estimates as a function of relative roughness that is applicable to both rough barren and partially cemented fractures.

地下储层中的天然裂缝经常部分被矿物沉淀物胶结,目前还不清楚为粗糙贫瘠裂缝开发的裂缝渗透率模型是否适用于因胶结衬里而产生粗糙的裂缝。在此,我们使用数字岩石物理工作流程,对这些模型预测的五条数字合成粗糙断裂和四条使用三维 X 射线计算机显微层析成像技术成像的断裂渗透率误差进行量化。样本包括砂岩中人工诱导的粗糙贫瘠断裂、从露头取样的石灰岩中的水泥衬砌天然断裂以及从储层岩芯取样的致密气砂岩中的两条水泥桥接天然断裂。然后对图像进行处理、分割、特征描述,以确定孔径分布的统计矩,并用于晶格玻尔兹曼模型流动模拟。我们讨论了当断裂孔隙空间形态偏离粗糙断裂的典型理论描述时,通过图像测量孔径分布的复杂性,并评估了三种不同的局部孔径测量方法。结果发现,使用标称平均孔径的替代立方定律会高估断裂渗透率,高出一到两个数量级,而使用孔径分布统计矩的断裂渗透率模型对于粗糙贫瘠断裂和部分胶结断裂都要精确得多。我们还定义了断裂渗透率估算上下限与相对粗糙度函数关系的经验描述,该描述适用于粗糙贫瘠断裂和部分胶结断裂。
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引用次数: 0
Capillarity-Driven Hydrate Film Formation in Geologic Carbon Storage 地质碳封存中毛细管驱动的水合物薄膜形成
IF 2.7 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-02-21 DOI: 10.1007/s11242-024-02062-3
David E. Fukuyama, Hugh C. Daigle, Wen Song

Much of the continental margins in the world oceans provide the necessary thermodynamic conditions to store CO(_2) as ice-like hydrates (CO(_2cdot)6 H(_2)O). While resistant to buoyant migration and leakage, the fundamental growth mechanisms that control the injection, capacity, and security of CO(_2) hydrates stored in the seafloor remain unresolved. Extensive field and laboratory testing give rise to conflicting views on the kinetics and growth configurations of hydrates, where mechanistic models reconciling the formation of hydrates observed in nature remain missing. This work elucidates a fundamental pore-scale reactive transport mechanism that underpins the rate and morphology of hydrate formation. We reveal a previously unrecognized mode of hydrate formation in porous seafloor sediments, hydrate film growth via reaction-imbibition, where superhydrophilic hydrate crystallites ((theta sim 0^circ)) formed at water–CO(_2) interfaces create a secondary microporous medium ((sim) 10 to 100 nm pores) within lithologic sediment pores ((sim) 10 to 100 (mu)m pores) to promote further hydrate growth. Unlike past diffusion-controlled models, we show that spontaneous water imbibition into the hydrate micropores establishes rapidly new water–CO(_2) interfaces (i.e., hydrate formation surfaces) via capillary-driven convection and is the dominant mechanism for supplying water to the hydrate formation interface.

摘要 世界海洋中的大部分大陆边缘提供了必要的热力学条件,将 CO (_2)储存为冰状水合物(CO (_2) 6 H (_2) O)。虽然可以抵抗浮力迁移和泄漏,但控制海底储存的 CO (_2)水合物的注入、容量和安全性的基本生长机制仍未解决。广泛的现场和实验室测试导致人们对水合物的动力学和生长构型产生了相互冲突的观点,其中仍然缺少可协调自然界中观察到的水合物形成的机理模型。这项研究阐明了一种基本的孔隙尺度反应传输机制,它是水合物形成速率和形态的基础。我们揭示了一种以前未曾认识到的多孔海底沉积物中的水合物形成模式,即通过反应-吸附作用形成水合物膜、其中,在水-CO(_2)界面形成的超亲水性水合物结晶(10-100 nm 孔隙)在岩性沉积物孔隙(10-100 m 孔隙)内形成次生微孔介质(10-100 nm 孔隙),以促进水合物的进一步生长。与过去的扩散控制模型不同,我们的研究表明,自发渗入水合物微孔的水通过毛细管驱动的对流迅速建立了新的水-CO(_2)界面(即水合物形成面),并且是向水合物形成界面供水的主要机制。
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引用次数: 0
Semi-analytical Model to Predict Dynamic Capillary Pressure–Saturation Relationship for Flows in Heterogeneous Porous Media 预测异质多孔介质中流动的动态毛细管压力-饱和度关系的半分析模型
IF 2.7 3区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-02-20 DOI: 10.1007/s11242-024-02058-z
Harris Sajjad Rabbani, Saideep Pavuluri

The capillary pressure defines pressure difference between non-wetting and wetting fluids. The capillary pressure is part of the flow governing equations, and its definition can have a profound impact on the nature of fluids displacement in a multiphase flow environment. Conventionally, capillary pressure–saturation relationships are determined under equilibrium conditions which signify that all the fluid–fluid interfaces that exist at the pore scale maintain a static configuration at a certain instant in time. However, there exist experimental and numerical evidences that state that the dynamic nature of fluid flows indeed plays a prominent role in defining the trends of the capillary pressure–saturation relationships. In this paper, we develop a first of a kind semi-analytical model to predict the capillary pressure–saturation curves during drainage displacement by integrating the dynamics of fluid flow based on fundamental laws of fluid mechanics. The proposed semi-analytical model can potentially be incorporated into existing multiphase flow simulators to rapidly compute the capillary pressure at various saturations of the flow medium under dynamic flow conditions. The presented semi-analytical model has been validated against experimental and numerical data sets available in the literature at various flow conditions and considering different sets of fluid properties. We noticed a satisfactory match of the results predicted by the proposed semi-analytical model against the literature data. After performing a holistic sensitivity analysis, we notice that the properties of the porous medium, and the fluid–solid interactions play a significant role in defining the trends of the capillary pressure–saturation curves.

毛细管压力定义了非润湿流体和润湿流体之间的压力差。毛细管压力是流动控制方程的一部分,其定义会对多相流环境中流体位移的性质产生深远影响。传统上,毛细管压力-饱和度关系是在平衡条件下确定的,这意味着孔隙尺度上存在的所有流体-流体界面在某一瞬间都保持静态配置。然而,有实验和数值证据表明,流体流动的动态性质在确定毛细管压力-饱和度关系的趋势方面确实起着重要作用。本文以流体力学基本定律为基础,结合流体流动的动力学特性,首次建立了一个半解析模型,用于预测排水位移过程中的毛细管压力-饱和度曲线。所提出的半解析模型可用于现有的多相流模拟器,以快速计算动态流动条件下不同饱和度流动介质的毛细管压力。所提出的半解析模型已根据文献中的实验和数值数据集进行了验证,这些数据集涉及不同的流动条件和不同的流体属性。我们注意到,所提出的半解析模型预测的结果与文献数据的匹配度令人满意。在进行整体敏感性分析后,我们注意到多孔介质的特性和流固相互作用在确定毛细管压力-饱和度曲线的趋势方面起着重要作用。
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Transport in Porous Media
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