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Regionalizing hydrologic information for runoff predictions beyond continental boundaries using machine learning 利用机器学习将水文信息区域化,用于大陆边界以外的径流预测
IF 4.2 2区 环境科学与生态学 Q1 WATER RESOURCES Pub Date : 2025-12-01 Epub Date: 2025-10-28 DOI: 10.1016/j.advwatres.2025.105162
Mohamed M. Fathi , Ayman G. Awadallah
Accurately predicting runoff responses in ungauged catchments remains a central challenge in hydrology, particularly for regions lacking sufficient observational data. The regionalization approach is a powerful strategy to address this challenge, enabling the extrapolation of knowledge derived from gauged catchments to ungauged locations. However, the development of robust regionalization models is often constrained by limited datasets, in terms of the number of catchments and/or the availability of catchment attributes. Despite recent advancements, most existing studies evaluate model performance using subsets of the same dataset for both training and testing, limiting the assessment of model transferability. To address this gap, this study introduces a regionalization framework using the large-scale CAMELS-US dataset to train a set of regression models for predicting the calibrated parameters of the GR2M, a monthly water balance model. The framework is then evaluated on the CAMELS-GB (Great Britain dataset), representing a distinct climatic and geographic context beyond continental boundaries. A critical aspect of this study is its focus on uncovering the physical meaning of the GR2M parameters by linking them to measurable catchment attributes. Results show that while linear regression models perform well within the training domain, their predictive skill declines significantly when applied to the GB dataset. In contrast, machine learning models, particularly Support Vector Regression, demonstrate strong generalization capabilities, achieving high accuracy in predicting runoff responses across GB catchments. These findings underscore the importance of nonlinear approaches in developing globally transferable regionalization frameworks and underscore their potential to support reliable hydrologic predictions in data-scarce regions.
准确预测未测量集水区的径流响应仍然是水文学的核心挑战,特别是对于缺乏足够观测数据的地区。区域化方法是应对这一挑战的有力战略,能够将从计量流域获得的知识外推到未计量地区。然而,在集水区数量和/或集水区属性的可用性方面,强大的区域化模型的开发往往受到有限数据集的限制。尽管最近取得了一些进展,但大多数现有研究都是使用同一数据集的子集来评估模型的性能,从而限制了对模型可转移性的评估。为了解决这一差距,本研究引入了一个区域化框架,利用CAMELS-US大规模数据集来训练一组回归模型,用于预测GR2M(每月水平衡模型)的校准参数。然后在CAMELS-GB(大不列颠数据集)上对框架进行评估,该数据集代表了超越大陆边界的独特气候和地理背景。本研究的一个关键方面是其重点是通过将GR2M参数与可测量的流域属性联系起来,揭示GR2M参数的物理意义。结果表明,虽然线性回归模型在训练域中表现良好,但当应用于GB数据集时,其预测技能显着下降。相比之下,机器学习模型,特别是支持向量回归,展示了强大的泛化能力,在预测GB流域的径流响应方面实现了高精度。这些发现强调了非线性方法在发展全球可转移的区域化框架方面的重要性,并强调了它们在数据稀缺地区支持可靠水文预测的潜力。
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引用次数: 0
Breaking down annual and tropical cyclone-induced nonlinear interactions in total water levels 分解年和热带气旋引起的总水位非线性相互作用
IF 4.2 2区 环境科学与生态学 Q1 WATER RESOURCES Pub Date : 2025-12-01 Epub Date: 2025-09-02 DOI: 10.1016/j.advwatres.2025.105108
Md Shadman Sakib , David F. Muñoz , Thomas Wahl
With the increase of tropical cyclone activity, coastal communities will experience growing impacts from extreme water levels and associated compound flooding. Multiple drivers contribute to total water level (TWL), including mean sea level, astronomical tides, riverine flow, storm surges, and waves. Therefore, gaining insight into future TWL variability requires a thorough understanding of how those drivers nonlinearly interact at different spatiotemporal scales. In this study, we developed a coupled coastal and wave model at sufficient spatial resolution to analyze: (i) tide–driver interactions and their nonlinear components stemming from surge, river flow, and wind-waves, and (ii) their spatiotemporal evolution across the pre-landfall, landfall, and post-landfall stages of tropical cyclones in the Chesapeake Bay, USA. Results show that tide–surge and tide–wave interactions, along with their nonlinear components, exhibit substantial annual variability, with extreme hurricanes producing abrupt and spatially distinct responses driven by low pressure anomalies in slow-moving storms and wind setup in faster systems. In contrast, tide–river interactions remain negligible except in the upper bay tributaries. A weak or neutral tide–driver interaction does not necessarily indicate a negligible nonlinear response. Rather, nonlinear interactions (NIs) generally act out of phase with their associated drivers, functioning as compensatory mechanisms that amplify or suppress TWL. These nonlinearities are transient and of high-frequency nature near the coast, but evolve into slower, more persistent fluctuations in upstream regions. As climate change reshapes coastal dynamics, a robust understanding of NIs is essential for designing effective flood protection, enhancing risk assessments, and developing informed adaptation strategies for extreme water levels.
随着热带气旋活动的增加,沿海社区将受到极端水位和相关复合洪水的越来越大的影响。多个驱动因素对总水位(TWL)有影响,包括平均海平面、天文潮汐、河流流量、风暴潮和波浪。因此,要深入了解未来TWL的变化,就需要彻底了解这些驱动因素在不同时空尺度上是如何非线性相互作用的。在这项研究中,我们开发了一个具有足够空间分辨率的海岸和波浪耦合模型来分析:(i)潮汐驱动相互作用及其非线性分量,包括风暴潮、河流流量和风浪,以及(ii)热带气旋在美国切萨皮克湾登陆前、登陆后和登陆后三个阶段的时空演变。结果表明,潮涌和潮波相互作用及其非线性成分表现出显著的年变异性,极端飓风在缓慢移动风暴的低压异常和快速系统的风力设置的驱动下产生突然的和空间上不同的响应。相比之下,除了海湾上游支流,潮汐与河流的相互作用仍然可以忽略不计。弱的或中性的潮汐驱动相互作用不一定表示可忽略的非线性响应。相反,非线性相互作用(NIs)通常与其相关驱动因素相异,作为放大或抑制TWL的补偿机制发挥作用。这些非线性是短暂的,在海岸附近具有高频性质,但在上游地区演变成较慢,更持久的波动。随着气候变化重塑沿海动态,深入了解极端水位对于设计有效的防洪措施、加强风险评估和制定明智的极端水位适应战略至关重要。
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引用次数: 0
A simplified integrated asset model for predicting liquid loading in gas wells with aquifer water influx 含含水层水侵气井液载预测的简化综合资产模型
IF 4.2 2区 环境科学与生态学 Q1 WATER RESOURCES Pub Date : 2025-12-01 Epub Date: 2025-10-05 DOI: 10.1016/j.advwatres.2025.105141
Zakarya Belimane , Mohamed Riad Youcefi , Abderrahmane Benbrik , Ahmed Hadjadj
This study presents a simplified Integrated Asset Model (IAM) specifically designed to address critical challenges in water management within hydrocarbon production systems, particularly the dynamic interaction between gas production and aquifer water influx. By focusing on the mechanisms that lead to liquid loading, often triggered by encroaching formation water, the model offers a novel approach to managing subsurface multiphase flow. The IAM integrates key components of inflow performance (IPR), tubing performance (TPR), aquifer and material balance equations within a pseudo-transient framework to simulate the well’s response to water-induced liquid accumulation. An advanced mechanistic multiphase wellbore model monitors important parameters such as liquid holdup, mixture density, flow regime transitions, and dimensionless Reynolds (Re) and Weber (We) numbers. The pseudo-transient nodal analysis iteratively updates these properties, allowing the model to capture the transient behavior in the presence of aquifer drive. The Firefly metaheuristic algorithm is employed to optimize system performance by identifying the equilibrium point at the bottomhole. The model reveals that slug flow at the bottomhole is a strong indicator of incipient liquid loading, thereby facilitating earlier detection and intervention. This approach enhances both the detection and prediction of liquid loading, improving water control strategies, gas lift planning, and production scheduling. Sensitivity analysis further shows that aquifer volume, compressibility, and productivity index (J) significantly promotes liquid accumulation. By accurately simulating the onset and behavior of liquid loading under aquifer support, this work contributes a valuable tool for proactive water management, optimized deliquification planning, and sustained well productivity in gas fields.
该研究提出了一种简化的综合资产模型(IAM),专门用于解决油气生产系统中水管理的关键挑战,特别是产气与含水层水流入之间的动态相互作用。通过关注导致液体加载的机制,该模型为管理地下多相流提供了一种新的方法。IAM将流入动态(IPR)、油管性能(TPR)、含水层和物质平衡方程的关键组成部分集成在一个伪瞬态框架内,以模拟井对水引起的液体积聚的响应。先进的机械多相井筒模型可监测重要参数,如含液率、混合物密度、流态转变以及无因次Reynolds (Re)和Weber (We)数。伪瞬态节点分析迭代更新这些属性,使模型能够捕获存在含水层驱动的瞬态行为。采用Firefly元启发式算法,通过识别井底平衡点来优化系统性能。该模型表明,井底段塞流是早期液体加载的一个强有力的指标,从而有助于早期发现和干预。该方法增强了对液体载荷的检测和预测,改进了控水策略、气举计划和生产调度。敏感性分析进一步表明,含水层体积、压缩性和产能指数(J)对液体聚集有显著促进作用。通过精确模拟含水层支撑下液体加载的开始和行为,这项工作为气田的主动水管理、优化液化规划和维持油井产能提供了有价值的工具。
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引用次数: 0
The pore-network-continuum modeling of two-phase flow properties for multiscale digital rocks 多尺度数字岩石两相流特性的孔隙-网络-连续体模型
IF 4.2 2区 环境科学与生态学 Q1 WATER RESOURCES Pub Date : 2025-12-01 Epub Date: 2025-10-04 DOI: 10.1016/j.advwatres.2025.105138
Bowen Shi , Jianqi Rong , Han Jiang , Bo Guo , S. Majid Hassanizadeh , Chao-Zhong Qin
Many subsurface formations and reservoirs exhibit multiscale and heterogeneous pore structures, such as soils, carbonate rocks, shales and tight sandstones. Understanding and predicting their two-phase flow properties are crucial to underground applications including contamination remediation, oil and gas recovery, and geological storage of carbon dioxide. For a multiscale digital rock, pores with a wide pore-size distribution spanning several orders of magnitude cannot be visualized in one image, due to the trade-off between image resolution and field of view. However, a large number of unresolved pores (i.e. microporosity) can challenge the modeling of flow and transport. We develop an efficient pore-network-continuum model (PNCM) for quasi-static two-phase flow in multiscale digital rocks. The resolved pores and microporosity are represented by a pore network and continuum grids, respectively. Instead of costly CT-based characterization, we propose to use the bimodal van Genuchten model of mercury intrusion capillary pressure to infer the pore-size distribution of heterogeneous microporosity. The PNCM is applied to a laminated sandstone with synthesized homogeneous microporosity and an Estaillades carbonate rock with heterogeneous microporosity. Both single-phase and two-phase flow properties including absolute permeability, formation factor, resistivity index, capillary pressure, and relative permeability are predicted and compared with experimental data. The good agreement demonstrates the robustness and reliability of the developed PNCM. Using the case studies, we illustrate how microporosity influences and determines two-phase flow properties.
许多地下地层和储层具有多尺度和非均质孔隙结构,如土壤、碳酸盐岩、页岩和致密砂岩。了解和预测它们的两相流特性对地下应用至关重要,包括污染修复、油气开采和二氧化碳的地质储存。对于多尺度数字岩石,由于图像分辨率和视场之间的权衡,无法在一张图像中显示跨越几个数量级的宽孔径分布的孔隙。然而,大量未解决的孔隙(即微孔隙)对流动和输运的建模提出了挑战。建立了多尺度数字岩石准静态两相流的有效孔隙-网络-连续介质模型(PNCM)。分解孔隙和微孔隙度分别用孔网和连续网格表示。我们建议使用汞侵入毛管压力的双峰van Genuchten模型来推断非均质微孔隙的孔径分布,而不是昂贵的ct表征。将PNCM应用于具有合成均质微孔的层状砂岩和具有非均质微孔的Estaillades碳酸盐岩。对绝对渗透率、地层系数、电阻率指数、毛管压力、相对渗透率等单相和两相流动特性进行了预测,并对实验数据进行了比较。结果表明,所设计的PNCM具有良好的鲁棒性和可靠性。通过实例研究,我们说明了微孔隙度是如何影响和决定两相流特性的。
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引用次数: 0
Flooding, nonlinear scaling and Jensen’s inequality: Analyzing changes in inundation extent with river discharge nonstationarity 洪涝、非线性标度与Jensen不等式:分析河流流量非平稳性对淹没程度的影响
IF 4.2 2区 环境科学与生态学 Q1 WATER RESOURCES Pub Date : 2025-12-01 Epub Date: 2025-11-10 DOI: 10.1016/j.advwatres.2025.105170
Anupal Baruah , Gilbert Hinge , Supath Dhital , Berina Mina Kilicarslan , Omar Wani
This study investigates the nature of the scaling relationships between inundation extents and river discharge. We do this by first introducing theoretical considerations and then subsequently analyzing 18 watersheds across the United States using extensive simulation experiments. We systematically produce multiple inundation extents using NOAA OWP HAND flood inundation model and explore the nature of the expected shifts in mean, median, and higher quantiles of inundation due to various kinds of river discharge nonstationarities. Viewing flood inundations through the lens of Jensen’s inequality, we show that the shifts in discharge do not result in proportionate shifts in flood inundation extents. This analysis generates insights related to two main questions: how catchment morphometric characteristics collectively shape the nonlinearity between inundation extent and discharge, and how this nonlinearity affects the shifting probabilities of inundation extents. Our results confirm the presence of nonlinear relationships, with varying slopes, across basins. While depth-discharge relationships are well-known in the community, our work examines how inundation-discharge scaling looks across catchments. We discuss how these behaviors are closely linked to static catchment characteristics and also touch upon implications under climate-induced hydrologic nonstationarities.
本研究探讨了淹没范围与河流流量之间的尺度关系。为此,我们首先介绍了理论考虑,然后使用广泛的模拟实验分析了美国的18个流域。我们利用NOAA OWP HAND洪水淹没模型系统地产生了多个淹没程度,并探讨了由于各种河流流量的非平稳性,淹没的平均、中位数和高分位数的预期变化的本质。通过Jensen不等式来观察洪水泛滥,我们发现流量的变化不会导致洪水泛滥程度的成比例变化。该分析产生了与两个主要问题相关的见解:流域形态特征如何共同塑造淹没范围和流量之间的非线性,以及这种非线性如何影响淹没范围的移动概率。我们的结果证实了非线性关系的存在,与不同的斜坡,盆地。虽然深度-流量关系在社区中是众所周知的,但我们的工作是研究淹没-流量在集水区之间的比例。我们讨论了这些行为如何与静态集水区特征密切相关,并触及了气候引起的水文不稳定性的影响。
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引用次数: 0
Bed roughness in gravel-bed rivers: Channel-scale responses to flow and sediment dynamics 砾石河床的河床粗糙度:对水流和泥沙动力学的河道尺度响应
IF 4.2 2区 环境科学与生态学 Q1 WATER RESOURCES Pub Date : 2025-12-01 Epub Date: 2025-10-15 DOI: 10.1016/j.advwatres.2025.105146
Danrlei de Menezes, Ana Luiza Oliveira Borges
Understanding flow resistance is fundamental for both scientific research and the development of engineering applications in fluvial systems. Accurate estimation is crucial for assessing flood magnitude, predicting ecological habitats, estimating sediment transport, and analyzing river morphodynamics. However, natural gravel beds exhibit complex three-dimensional organization, shaped by continuous processes of transport, deposition, and sediment reworking during flow events. This study investigates bed roughness behavior under sediment supply suppression in gravel-bed channels, assessing its variation with flow conditions and sediment dynamics. Experiments were conducted in a 10 m-long, 0.6 m-wide rectangular flume with a mobile bed, divided into two phases. In Phase 1, a morphologically stable bed configuration was established, achieving equilibrium and consistent sediment transport under a given discharge. Preliminary bed stabilization proved essential, as material adjustment and fine sediment infilling significantly influenced hydraulic response. In Phase 2, the hydraulic roughness of the stabilized bed was evaluated. Results showed that flow resistance decreases with increasing relative submergence, whereas low-flow and low-submergence conditions led to higher roughness due to bed microtopography and armoring layer development. Empirical equations underestimated resistance under high relative roughness, indicating the need for more specific formulations. Importantly, this is among the first experimental studies addressing bed roughness processes for a Brazilian mountainous river, providing novel insights for similar environments. The study also confirmed classical sediment transport concepts, such as grain-size sorting, armoring formation, and a critical discharge threshold for sediment mobilization. These findings contribute to improved parameterization of numerical models and advance the understanding of fluvial hydraulics.
了解流动阻力是河流系统科学研究和工程应用开发的基础。准确的估算对于洪水震级评估、生态栖息地预测、泥沙输运估算和河流形态动力学分析至关重要。然而,天然砾石层表现出复杂的三维组织,在流动过程中由连续的运输、沉积和沉积物再加工过程形成。本文研究了砾石河床在输沙抑制条件下的河床粗糙度行为,评估了其随水流条件和泥沙动力学的变化。实验在一个长10米、宽0.6米的矩形水槽中进行,水槽带有移动床,实验分为两个阶段。在第一阶段,建立了一个形态稳定的河床配置,在给定流量下实现了平衡和一致的泥沙输送。由于物料调整和细泥沙充填对水力响应有显著影响,初步的河床稳定被证明是必不可少的。在第二阶段,对稳定床的水力粗糙度进行了评估。结果表明,流动阻力随相对淹没度的增加而减小,而低流量和低淹没条件下,由于河床微地形和装甲层的发育,导致粗糙度增大。经验方程低估了高相对粗糙度下的阻力,表明需要更具体的公式。重要的是,这是解决巴西山区河流河床粗糙度过程的首批实验研究之一,为类似环境提供了新的见解。该研究还证实了经典的泥沙输运概念,如粒度分选、盔甲形成和泥沙动员的临界流量阈值。这些发现有助于改进数值模型的参数化,促进对河流水力学的认识。
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引用次数: 0
Effects of geochemical reactions on flow properties during compressed air energy storage in aquifer 地球化学反应对含水层压缩空气蓄能流动特性的影响
IF 4.2 2区 环境科学与生态学 Q1 WATER RESOURCES Pub Date : 2025-12-01 Epub Date: 2025-09-26 DOI: 10.1016/j.advwatres.2025.105134
Shida Zheng , Jinsheng Wang , Chengzhi Wang , Jiawei Liu , Rui Zuo , Guanlan Wu , Xiaofan Yang , Minghao Pan , Hao Wang , Guangrong Hu
Reservoir flow properties are crucial for sustaining the magnitude and effectiveness of compressed gas energy storage in aquifer. Although changes in flow properties due to CO2 injection have received attention, the impact of compressed air injection-induced geochemical reactions on flow properties has been overlooked. This study presents a series of controlled experiments with different reaction conditions to reveal the effects of pore-scale mechanisms of geochemical reactions on pore structure and flow properties. Although air injection enhanced the oxidation potential of the brine, oxidation reactions were limited due to the absence of oxidation-sensitive minerals. Integrated analyses of fluid chemistry, mineralogical characterization, and kinetic reaction modeling indicated that albite dissolution was the primary process governing rock property alteration. Albite dissolution occurring in pores and throats drives pore structure evolution and interconnects isolated pores, thereby leading to a significant increase in the total and connected porosity. As a result, an increase in permeability was observed. The brine percolating through the larger pores initiates the albite dissolution, further widens the seepage pathways and enhances the fluid flow. Ultimately, a quantitative relationship between permeability and porosity influenced by geochemical reactions was established. This study highlights the significance of geochemical reactions in compressed air energy storage in aquifer and provides essential theoretical insights for future numerical simulations and commercial exploitation.
储层流动特性对维持含水层压缩气体蓄能的规模和有效性至关重要。虽然CO2注入引起的流动特性的变化受到了关注,但压缩空气注入引起的地球化学反应对流动特性的影响却被忽视了。本研究通过一系列不同反应条件下的对照实验,揭示了地球化学反应的孔隙尺度机制对孔隙结构和流动特性的影响。虽然空气注入提高了卤水的氧化电位,但由于缺乏氧化敏感矿物,氧化反应受到限制。流体化学、矿物学表征和动力学模拟综合分析表明,钠长石溶蚀是控制岩石蚀变的主要过程。孔喉中钠长石溶蚀作用驱动孔隙结构演化,使孤立孔隙相互连通,使总孔隙度和连通孔隙度显著增加。结果,观察到渗透率的增加。盐水通过较大孔隙渗透,引起钠长石溶蚀,进一步拓宽了渗透通道,增强了流体流动。最后,建立了受地球化学反应影响的渗透率和孔隙度的定量关系。该研究突出了地球化学反应在含水层压缩空气储能中的重要性,为未来的数值模拟和商业开发提供了重要的理论见解。
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引用次数: 0
Unravelling the role of pocket geometry in the entrainment of coarse sediment particles: Insights from IMU-based analysis 解开口袋几何在粗沉积物颗粒夹带中的作用:来自基于imu的分析的见解
IF 4.2 2区 环境科学与生态学 Q1 WATER RESOURCES Pub Date : 2025-12-01 Epub Date: 2025-11-04 DOI: 10.1016/j.advwatres.2025.105166
Xin Lu , Bruce W. Melville , Asaad Y. Shamseldin , Lu Wang , Yifan Yang , Yushu Xie
The entrainment of coarse sediment particles in gravel-bed rivers governs bed stability, channel evolution, and sediment transport. Understanding how local bed geometry influences the onset of motion for such particles remains a persistent challenge, owing to the complexity of near-bed turbulence and three-dimensional particle dynamics. This study investigates the role of pocket geometry in particle entrainment using a Smart Sediment Particle (SSP) instrumented with an inertial measurement unit (IMU). Controlled flume experiments were conducted over a fixed spherical bed to capture triaxial accelerations and angular velocities during entrainment and motion. Results show that, under fully submerged conditions, variations in flow depth exert little influence on entrainment thresholds, whereas pocket geometry governs both the onset and subsequent rotational behaviour. The saddle configuration requires lower critical velocities but produces stronger rotational impulses, while the grain-top configuration demands higher velocities yet leads to more sustained tumbling. The IMU-based approach reveals the coupling between hydrodynamic forcing and rotational dynamics, providing new insights for physically based sediment-transport modelling in coarse-bed rivers.
粗沙颗粒在砾石河床的夹带控制着河床的稳定、河道的演化和泥沙的输运。由于近床层湍流和三维粒子动力学的复杂性,了解局部床层几何形状如何影响这些粒子的运动开始仍然是一个持续的挑战。本研究使用带有惯性测量单元(IMU)的智能沉积物粒子(SSP)研究了口袋几何形状在粒子夹带中的作用。在固定的球形床上进行了控制水槽实验,以捕获夹带和运动期间的三轴加速度和角速度。结果表明,在完全淹没的条件下,水流深度的变化对夹带阈值的影响很小,而口袋几何形状对开始和随后的旋转行为都有影响。鞍形结构需要较低的临界速度,但会产生更强的旋转脉冲,而粒顶结构需要较高的速度,但会导致更持续的翻滚。基于imu的方法揭示了水动力强迫和旋转动力学之间的耦合,为粗河床河流基于物理的泥沙输运建模提供了新的见解。
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引用次数: 0
Multi-scale visualization of desorption in clay-coated microfluidic channels: Effect of flow dynamics and porous geometry 粘土包覆微流体通道解吸的多尺度可视化:流动动力学和多孔几何的影响
IF 4.2 2区 环境科学与生态学 Q1 WATER RESOURCES Pub Date : 2025-12-01 Epub Date: 2025-09-09 DOI: 10.1016/j.advwatres.2025.105110
Negar Razaghi , Mohaddeseh Mousavi Nezhad , John Bridgeman
This study investigates desorption dynamics in clay-rich porous media with multiple scales of pore size through a microfluidic approach that enables spatially resolved pore-scale observations of transport processes. Desorption, the release of previously sorbed substances from surfaces into surrounding fluid, is critical for contaminant transport, remediation strategies, and resource recovery in environmental systems. While microfluidic devices offer substantial advantages for studying transport processes in porous media, realistically replicating natural surface characteristics in traditional micromodels remains challenging. Geomaterial microfluidics, achieved by coating conventional substrates with rock or soil minerals, offers a powerful tool for visualising pore-scale mass transport and solid-fluid interactions. A key challenge in employing geomaterial-coated micromodels to explore sorption-desorption is the opacity of most geomaterial minerals, hindering visualization of mass concentration changes within porous media. This research introduces a streamlined clay coating procedure to functionalise polydimethylsiloxane (PDMS) microfluidic channels with transparent synthetic smectite clay, mimicking the physicochemical properties of clay porous media, enabling direct visualization of desorption processes across various flow conditions and porous geometries. Tracer flow tests conducted in a series of clay-coated microfluidic channels revealed the influence of fluid flow conditions and porous geometry on the microscale desorption behavior. Desorption of fluorescein, used as a model sorbate, was observed via fluorescence imaging, enabling visualization and quantification of concentration changes over time with high spatial resolution. The findings demonstrate that desorption behavior is influenced by the intricate interplay between fluid flow condition and porous geometry. While increasing flow rates accelerate desorption, this does not necessarily improve overall recovery efficiency (the proportion of previously sorbed substance that can be recovered). Lower flow rates result in longer times to achieve complete desorption, where no recoverable sorbate remains, but may reduce residual mass concentration at exhaustive desorption, highlighting the importance of optimizing flow conditions for efficient contaminant recovery. This work provides insights into transport phenomena relevant to efficient recovery of valuable substances from water, supporting circular economy principles through resource reuse while minimizing harmful by-products. By addressing the previously underexplored desorption dynamics in recovery processes, our findings contribute to developing sustainable treatment and recovery technologies for water management and environmental remediation.
本研究通过微流体方法研究了具有多种孔径尺度的富粘土多孔介质中的解吸动力学,从而实现了空间分辨的孔尺度传输过程观察。解吸,即先前吸附的物质从表面释放到周围的流体中,对于环境系统中的污染物运输、修复策略和资源回收至关重要。虽然微流控装置为研究多孔介质中的输运过程提供了实质性的优势,但在传统的微模型中真实地复制自然表面特征仍然具有挑战性。岩土微流体是通过在传统的基材上涂覆岩石或土壤矿物质来实现的,它为观察孔隙尺度的质量传输和固-流相互作用提供了一个强大的工具。采用土工材料包覆微模型来探索吸附-解吸的一个关键挑战是,大多数土工材料矿物的不透明性,阻碍了多孔介质中质量浓度变化的可视化。本研究介绍了一种流线型的粘土涂层程序,通过透明的合成蒙脱石粘土来功能化聚二甲基硅氧烷(PDMS)微流控通道,模拟了粘土多孔介质的物理化学性质,从而可以直接可视化各种流动条件和多孔几何形状下的解吸过程。在一系列涂覆粘土的微流体通道中进行的示踪流动试验揭示了流体流动条件和多孔几何形状对微尺度解吸行为的影响。荧光素作为山梨酸盐模型,通过荧光成像观察其解吸,从而以高空间分辨率可视化和量化浓度随时间的变化。研究结果表明,解吸行为受流体流动条件和孔隙几何形状之间复杂的相互作用影响。虽然增加流量会加速解吸,但这并不一定会提高整体回收效率(可回收的先前吸附物质的比例)。较低的流量导致实现完全解吸所需的时间更长,其中没有可回收的山梨酸残留,但可能会降低彻底解吸时的残留质量浓度,这突出了优化流量条件对有效回收污染物的重要性。这项工作提供了与有效回收水中有价值物质相关的运输现象的见解,通过资源再利用支持循环经济原则,同时最大限度地减少有害副产品。通过解决以前未充分探索的回收过程中的解吸动力学,我们的研究结果有助于开发可持续的水管理和环境修复处理和回收技术。
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引用次数: 0
Semi-analytical solutions for nonequilibrium transport and transformation of PFAS and other solutes in heterogeneous vadose zones with structured porous media 结构多孔介质中PFAS和其他溶质在非均质渗透带中的非平衡输运和转化的半解析解
IF 4.2 2区 环境科学与生态学 Q1 WATER RESOURCES Pub Date : 2025-12-01 Epub Date: 2025-09-12 DOI: 10.1016/j.advwatres.2025.105099
Sidian Chen , Bo Guo
We present screening-type semi-analytical models for quantifying the fate and transport of PFAS, including perfluoroalkyl acids (PFAAs) and their precursors (i.e., polyfluoroalkyl substances that can transform to PFAAs), in a heterogeneous vadose zone. The models employ one-dimensional multi-continuum representations with varying complexities (dual-porosity, dual-permeability, or triple-porosity). They account for PFAS-specific transport processes, including multi-site rate-limited adsorption at solid–water and air–water interfaces, and first-order biochemical transformation. Assuming steady-state infiltration, we derive semi-analytical solutions for all models under arbitrary initial and boundary conditions. We validate these new solutions using literature experimental breakthrough curves of PFAS and other solutes for various soils and wetting conditions. Furthermore, we demonstrate the models’ capability by analyzing the long-term leaching and mass discharge of two example PFAS (PFOS and a precursor PFOSB) in a heterogeneous vadose zone beneath a model PFAS-contaminated site. The results demonstrate that the precursor undergoes significant transformation and adds additional PFOS mass discharge to groundwater. Additionally, the simulations suggest that, due to strong retention in the vadose zone (i.e., large residence time), the PFAS in the high- and low-conductivity transport pathways can be considered as in equilibrium. Taking advantage of this result, we illustrate that the multi-continuum models may be simplified to an effective single-porosity model for simulating the transport of longer-chain PFAS in a heterogeneous vadose zone. Overall, the semi-analytical models provide practical tools for assessing long-term fate and transport of PFAS in the vadose zone and mass discharge to groundwater in the presence of precursor transformations.
我们提出了筛选型半分析模型,用于定量PFAS的命运和运输,包括全氟烷基酸(PFAAs)及其前体(即,可以转化为PFAAs的多氟烷基物质),在异质渗透区。这些模型采用一维多连续体表示,具有不同的复杂性(双孔隙度、双渗透率或三孔隙度)。它们解释了pfas特异性的运输过程,包括在固体-水和空气-水界面的多位点速率限制吸附,以及一级生化转化。假设稳态渗透,在任意初始和边界条件下,我们得到了所有模型的半解析解。我们利用PFAS和其他溶质在不同土壤和湿润条件下的实验突破曲线验证了这些新的解决方案。此外,我们通过分析两种示例PFAS (PFOS和前体PFOSB)在模型PFAS污染场地下方的非均质渗透带中的长期浸出和大量排放来证明模型的能力。结果表明,前驱体发生了明显的转化,增加了PFOS向地下水的大量排放。此外,模拟结果表明,由于PFAS在气包带中的滞留时间较长(即停留时间较长),可以认为PFAS在高电导率和低电导率的运输途径中处于平衡状态。利用这一结果,我们说明了多连续介质模型可以简化为一个有效的单孔隙模型来模拟长链PFAS在非均质渗透带中的输运。总的来说,半解析模型提供了实用的工具来评估PFAS在渗流带的长期命运和运输,以及在前体转化存在的情况下向地下水的大量排放。
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Advances in Water Resources
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