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Stochastic model for subsurface water flow in Swiss catchments
IF 4 2区 环境科学与生态学 Q1 WATER RESOURCES Pub Date : 2025-02-01 DOI: 10.1016/j.advwatres.2024.104883
M.C. Bovier , S. Fedotov , S. Ferraris , A. Gentile , B. Toaldo
Understanding water movement in catchments subsurface is crucial for numerous applications such as pollutant contamination, nutrient loss, water resource management and ecosystem functioning. Among the variables of particular interest, the transit times of water particles and their statistical distribution are a desirable output. Nevertheless, past approaches assume explicitly the form of the transit time distribution (TTD) to provide information on water age in catchments. In this study we adopt a different approach by making assumptions on the movement of water particles in the subsurface instead of assumptions on the transit time distribution. Hence we propose a model based on a random velocity process with rests, where a water particle alternatively moves with a constant velocity or it is trapped (with zero velocity) until it reaches the outlet of the catchment. We assume that the moving times are i.i.d. (independent and identically distributed) random variables with exponential distribution, while waiting times, i.e., times in which the water particle is trapped in subsurface cavities, are assumed to be i.i.d. random variables with Mittag-Leffler distribution of order α, which is heavy tailed. At the catchment outlet, which is assumed here to be at a distance from the inlet equal to the catchment median flow path length L, the first passage time (or transit time) of the water particles is measured.
We applied the model to 22 Swiss catchments simulating, for each catchment, the movement of millions of water particles thus obtaining the corresponding empirical TTD. We search for the threshold age (τ) that closely approximates the portion of the empirical TTD younger than τ, that is the young water fraction (Fyw). We use the complex modulus of the empirical characteristic function of the TTD: this quantity represents, in our model, the amplitude ratio of seasonal isotope cycles in stream water and precipitation. Our results reveal that τ is comprised between 46 and 76 days, exactly in the range 2-3 months previously identified. Additionally, given the amplitude ratio of isotopic concentrations, we estimate the only parameter of the model, that is the α parameter of the Mittag-Leffler distribution, for each Swiss catchment using suitable catchments properties. In conclusion, our study reveals that random velocity processes with rests are stochastic transport processes useful for modeling water movement in heterogeneous catchments, with a limited number of assumptions.
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引用次数: 0
On the modeling of the foam dynamics in heterogeneous porous media 非均质多孔介质泡沫动力学建模研究
IF 4 2区 环境科学与生态学 Q1 WATER RESOURCES Pub Date : 2025-02-01 DOI: 10.1016/j.advwatres.2024.104882
Jhuan B. Cedro , Filipe F. de Paula , Grigori Chapiro
Foam flow in porous media is important in various engineering applications, including soil remediation, carbon dioxide sequestration, and enhanced oil recovery. This study explores the relationship between bubble density and permeability in foam flow models, focusing on how different approaches capture foam formation in highly permeable regions. We compare two mechanistic models numerically. The first one is a Newtonian model with simple foam generation mechanics, while the second is a non-Newtonian model that incorporates complex mechanisms of foam generation and destruction depending on phase velocities and capillary pressure. Our results demonstrated that the more complex model exhibited a strong correlation between bubble density and permeability, while the simpler model maintained a constant bubble density despite the heterogeneity. This observed correlation, while experimentally documented, was not analyzed from a theoretical modeling perspective. For comparing both models, we developed a workflow for fitting the corresponding parameters based on foam equilibrium. As a result, two-dimensional simulations showed good agreement in gas front location, breakthrough time, and production rates for both models.
多孔介质中的泡沫流动在土壤修复、二氧化碳封存和提高石油采收率等多种工程应用中具有重要意义。本研究探讨了泡沫流动模型中气泡密度与渗透率之间的关系,重点研究了不同方法如何捕获高渗透率区域的泡沫形成。我们用数值方法比较了两种力学模型。前者是一个牛顿模型,具有简单的泡沫生成机制;后者是一个非牛顿模型,包含了复杂的泡沫生成和破坏机制,取决于相速度和毛细压力。我们的研究结果表明,更复杂的模型在气泡密度和渗透率之间表现出很强的相关性,而更简单的模型在非均质性下保持恒定的气泡密度。这种观察到的相关性,虽然实验证明,但没有从理论建模的角度进行分析。为了比较两种模型,我们开发了一个基于泡沫平衡的相应参数拟合工作流程。结果表明,两种模型的二维模拟结果在气前缘位置、突破时间和产量等方面具有良好的一致性。
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引用次数: 0
A well-balanced conservative high-order alternative finite difference WENO (A-WENO) method for the shallow water equations
IF 4 2区 环境科学与生态学 Q1 WATER RESOURCES Pub Date : 2025-02-01 DOI: 10.1016/j.advwatres.2025.104898
Ziyao Xu , Chi-Wang Shu
In this paper, we develop a well-balanced, conservative, high-order finite difference weighted essentially non-oscillatory (WENO) method for the shallow water equations. Our approach exactly preserves the moving-water equilibria of the shallow water equations with non-flat bottom topography. The proposed method consists of two key components. First, we reformulate the source term into a flux-gradient form and discretize it using the same numerical flux as that of the true flux gradient to achieve the well-balanced property. Second, we interpolate the equilibrium variables, which remain constant at steady state, to construct the numerical flux. To achieve high-order accuracy and avoid truncation errors when obtaining equilibrium variables, we build our scheme within the alternative finite difference WENO (A-WENO) framework, which operates on point values rather than cell averages. Special attention is given to ensure that the conservation property is not compromised when designing well-balanced discretizations for the source term. We carefully analyze potential causes of non-conservative schemes in the discretization and explain why the discretized source term in our method is both conservative and simple. Extensive numerical tests are presented to validate the performance of the proposed method.
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引用次数: 0
Reactive transport modeling to reveal the impacts of beach morphodynamics, storm floods and seasonal groundwater recharge on the biogeochemistry of sandy subterranean estuaries
IF 4 2区 环境科学与生态学 Q1 WATER RESOURCES Pub Date : 2025-02-01 DOI: 10.1016/j.advwatres.2024.104884
Stephan L. Seibert , Gudrun Massmann , Rena Meyer , Vincent E.A. Post , Janek Greskowiak
Subterranean Estuaries (STEs) are important biogeochemical reactors at the land-ocean interface. They transform dissolved species prior to discharge, thereby influencing chemical fluxes from land to sea. The coupling between physical flow and biogeochemical reactions in the STE is complex, and a deeper process understanding demands the application of reactive transport modeling (RTM). Most previous RTM studies focused on idealized STEs, investigating the impacts of relevant oceanic forcings, such as tides and waves. The aim of this study is to investigate the presently unknown interplay between STE biogeochemistry and beach morphodynamics, storm floods as well as seasonal groundwater recharge. 2-D cross-sectional RTMs for a sandy beach aquifer were developed for this purpose, assessing the effects of the three individual as well as all combined dynamic coastal forcings, respectively. We find that beach morphodynamics enhance the transience of aerobic-to-suboxic zones in near-surface groundwater, whereas storm floods cause temporal concentration changes at greater depth. The impact of seasonal groundwater recharge is less pronounced. The concentrations of dissolved species are further impacted by precipitation/dissolution of the minerals calcite, goethite, siderite, iron sulfide and hydroxyapatite as well as complexation at goethite surfaces. Our study contributes to an advanced understanding of the interplay between STE biogeochemistry and the dynamics of relevant coastal forcings encountered at high-energy beaches. However, further field-based investigations are needed to verify conclusions of our generic RTM study.
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引用次数: 0
Investigating solute transport and reaction using a mechanistically coupled geochemical and geophysical modeling approach 利用机械耦合的地球化学和地球物理模拟方法研究溶质输运和反应
IF 4 2区 环境科学与生态学 Q1 WATER RESOURCES Pub Date : 2025-02-01 DOI: 10.1016/j.advwatres.2024.104879
Flore Rembert , Nicole M. Fernandez , Linda Luquot , Roger Guérin , Damien Jougnot
The use of geoelectrical monitoring of groundwater quality and contamination is a growing and promising topic. Nowadays, geoelectrical methods are mostly used as qualitative detection tools. This study aims to better use geoelectrical signals as a complementary tool for the quantitative characterization of chemical species transport and reaction in the porous matrix by developing a coupled mechanistic model. We examine the dissolution of calcite as an effective proof-of-concept. Our investigation focuses on the impact of the reactive zone’s position, extent, and intensity of geoelectrical signals under various inlet conditions. We conducted five experiments on flow-through columns equipped with geoelectrical monitoring. This study presents a unique dataset that is analyzed using a workflow that combines reactive transport numerical simulation with numerical modeling of geoelectrical and structural properties. The comparison of the predicted signals with the experimental data clearly shows the characterization of the spatial and temporal distributions of the reaction rates.
利用地电监测地下水水质和污染是一个日益发展和有前途的课题。目前,地电法多被用作定性探测工具。本研究旨在通过建立耦合机制模型,更好地利用地电信号作为定量表征多孔基质中化学物质输运和反应的补充工具。我们检查方解石的溶解作为一个有效的概念证明。我们的研究重点是在不同的进口条件下,反应带的位置、范围和强度对地电信号的影响。我们对装有地电监测装置的贯通柱进行了五次实验。本研究提出了一个独特的数据集,使用将反应输运数值模拟与地电学和结构特性数值模拟相结合的工作流程进行分析。预测信号与实验数据的比较清楚地显示了反应速率的时空分布特征。
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引用次数: 0
Reactive precipitation during overlaying CO2 dissolution into brine: The role of porous structure
IF 4 2区 环境科学与生态学 Q1 WATER RESOURCES Pub Date : 2025-02-01 DOI: 10.1016/j.advwatres.2024.104880
Shuai Zheng , Ke Xu , Dongxiao Zhang
After sequestration of CO2 into subsurface saline aquifer, CO2 cap forms at the top of a stratum. As overlaying CO2 dissolves into brine, precipitation reactions between CO2 and in-situ ions emerge. The role of reactive precipitation during this process has long been under debate due to the lack of direct observation. Here we conduct visualized experiments on high-pressure CO2 convective dissolution into Ca(OH)2 solution, where CaCO3 precipitation forms. We show that the presence of a porous structure largely shapes the dissolution pattern. In absence of porous structure, sharp and flat reactive front is observed, with cloudy particle suspension chaotically flowing; however, in presence of a porous structure, symmetric fingers are observed above the reactive front, and precipitates locally deposit at the pore-scale without participating in convection. We theoretically rationalize these observations and discuss their impacts on CO2 dissolution kinetics. Inspired by these experimental observations, we propose several major simplifications for numerical modeling. This work also provides a benchmark for future experimental and numerical studies of CO2 convective dissolution with reactive precipitation during CO2 sequestration.
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引用次数: 0
Global sensitivity analysis of mass transfer and reaction dynamics for electrokinetic transport in porous media
IF 4 2区 环境科学与生态学 Q1 WATER RESOURCES Pub Date : 2025-02-01 DOI: 10.1016/j.advwatres.2025.104887
R. Sprocati , A. Guadagnini , L. Ceresa , A. Gallo , M. Rolle
Electrokinetic (EK) technologies are promising solutions for the remediation of contaminated sites, particularly in low-permeability porous media. However, their widespread adoption is hindered by the challenge of predicting the complex, coupled physico-chemical processes triggered by the application of external electric fields in the subsurface. Numerical models therefore represent essential tools to interpret system behavior. Uncertainties in experimental data, as well as in the formulation of conceptual models, still pose a challenge to develop robust predictive tools. In this context, our work addresses the impact of various sources of uncertainty on model-based predictions of EK transport in porous media. We employ Monte Carlo-based global sensitivity analyses (GSA) within both single-model (SM-GSA) and multi-model (MM-GSA). The multi-model approach relies on a theoretical framework encompassing different models capable of interpreting a set of EK transport scenarios. This allows us to address the impact of model formulation besides parametric uncertainty on mass transfer and reaction dynamics of EK transport. All candidate models in our set are based on a 2D dipole electrode configuration and each model incorporates a different combination of physico-chemical processes to explore different EK remediation scenarios dominated by electromigration or electroosmosis, for both conservative and reactive transport settings. We also investigate the influence of background electrolytes, charge interactions, reactant mobility and degradation reaction kinetics on system dynamics. To overcome the computational burden of process-based modeling and GSA implementations, we develop machine learning-based surrogate models. The latter are employed within both SM- and MM-GSA frameworks, using Sobol’ and AMAE sensitivity indices, respectively. This work provides a comprehensive quantification of how multiple sources of uncertainty impact electrokinetic transport behavior in porous media.
{"title":"Global sensitivity analysis of mass transfer and reaction dynamics for electrokinetic transport in porous media","authors":"R. Sprocati ,&nbsp;A. Guadagnini ,&nbsp;L. Ceresa ,&nbsp;A. Gallo ,&nbsp;M. Rolle","doi":"10.1016/j.advwatres.2025.104887","DOIUrl":"10.1016/j.advwatres.2025.104887","url":null,"abstract":"<div><div>Electrokinetic (EK) technologies are promising solutions for the remediation of contaminated sites, particularly in low-permeability porous media. However, their widespread adoption is hindered by the challenge of predicting the complex, coupled physico-chemical processes triggered by the application of external electric fields in the subsurface. Numerical models therefore represent essential tools to interpret system behavior. Uncertainties in experimental data, as well as in the formulation of conceptual models, still pose a challenge to develop robust predictive tools. In this context, our work addresses the impact of various sources of uncertainty on model-based predictions of EK transport in porous media. We employ Monte Carlo-based global sensitivity analyses (GSA) within both single-model (SM-GSA) and multi-model (MM-GSA). The multi-model approach relies on a theoretical framework encompassing different models capable of interpreting a set of EK transport scenarios. This allows us to address the impact of model formulation besides parametric uncertainty on mass transfer and reaction dynamics of EK transport. All candidate models in our set are based on a 2D dipole electrode configuration and each model incorporates a different combination of physico-chemical processes to explore different EK remediation scenarios dominated by electromigration or electroosmosis, for both conservative and reactive transport settings. We also investigate the influence of background electrolytes, charge interactions, reactant mobility and degradation reaction kinetics on system dynamics. To overcome the computational burden of process-based modeling and GSA implementations, we develop machine learning-based surrogate models. The latter are employed within both SM- and MM-GSA frameworks, using Sobol’ and AMAE sensitivity indices, respectively. This work provides a comprehensive quantification of how multiple sources of uncertainty impact electrokinetic transport behavior in porous media.</div></div>","PeriodicalId":7614,"journal":{"name":"Advances in Water Resources","volume":"196 ","pages":"Article 104887"},"PeriodicalIF":4.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143094795","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A hybrid CNN-transformer surrogate model for the multi-objective robust optimization of geological carbon sequestration
IF 4 2区 环境科学与生态学 Q1 WATER RESOURCES Pub Date : 2025-02-01 DOI: 10.1016/j.advwatres.2025.104897
Zhao Feng , Bicheng Yan , Xianda Shen , Fengshou Zhang , Zeeshan Tariq , Weiquan Ouyang , Zhilei Han
The optimization of well controls over time constitutes an essential step in the design of cost-effective and safe geological carbon sequestration (GCS) projects. However, the computational expense of these optimization problems, due to the extensive number of simulation evaluations, presents significant challenges for real-time decision-making. In this paper, we propose a hybrid CNN-Transformer surrogate model to accelerate the well control optimization in GCS applications. The surrogate model encompasses a Convolution Neural Network (CNN) encoder to compress high-dimensional geological parameters, a Transformer processor to learn global patterns inherent in the well controls over time, and a CNN decoder to map the latent variables to the target solution variables. The surrogate model is trained to predict the spatiotemporal evolution of CO2 saturation and pressure within 3D heterogeneous permeability fields under dynamic CO2 injection rates. Results demonstrate that the surrogate model exhibits satisfactory performance in the context of prediction accuracy, computation efficiency, data scalability, and out-of-distribution generalizability. The surrogate model is further integrated with Multi-Objective Robust Optimization (MORO). Pareto optimal well controls are determined based on Non-dominated Sorting-based Genetic Algorithm II (NSGA-II), which maximize the storage efficiency and minimize the induced over-pressurization across an ensemble of uncertain geological realizations. The surrogate-based MORO reduces computational time by 99.99 % compared to simulation-based optimization. The proposed workflow not only highlights the feasibility of applying the CNN-Transformer model for complex subsurface flow systems but also provides a practical solution for real-time decision-making in GCS projects.
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引用次数: 0
Modeling and design of air injection-based hydraulic barriers
IF 4 2区 环境科学与生态学 Q1 WATER RESOURCES Pub Date : 2025-01-31 DOI: 10.1016/j.advwatres.2025.104902
Ilan Ben-Noah
Hydraulic barriers are useful for manipulating groundwater flow to mitigate and contain harmful environmental effects. Injecting air into the aquifer has been suggested as a cost-efficient, sustainable, and reversible hydraulic barrier. In this, the injected air reduces the conductance of the aquifer to water flow. However, this practice is not commonly used despite its potential, probably due to a lack of a design tool and field-scale demonstrations. Evaluating the effect of air injection on the water flow is severely hindered by the ability to simulate the unstable coupled multiphase flow problem. Multiphase models are computationally expensive and unstable, require many (sometimes unattainable parameters), and generally provide poor predictive capabilities. Here, a simplified approach is suggested that decouples the phases flows, and uses analytical (fast, stable, parameters-parsimonious) solutions of the air injection problem to evaluate its effect on the water permeability field. In this manuscript, we describe the framework and the solutions of the air flow, discuss its limitations, and demonstrate its usability to evaluate the sensitivity to the media’s and system design parameters in three case studies: (i) point sources in a confined aquifer, (ii) line source in a confined aquifer, and (iii) line source in an unconfined aquifer.
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引用次数: 0
Inferring experimental colloid removal with an inverse two-population model linking continuum scale data to nanoscale features
IF 4 2区 环境科学与生态学 Q1 WATER RESOURCES Pub Date : 2025-01-30 DOI: 10.1016/j.advwatres.2025.104905
Sabrina N. Volponi , Giovanni Porta , Bashar M. Al-Zghoul , Diogo Bolster , William P. Johnson
Models of colloid transport in porous media that assume constant fractional loss per grain passed fail in the presence of repulsive barriers to attachment, under which condition experiments produce profiles of colloid concentrations with distance from source that are nonexponential. Nonexponential removal is hypothesized to arise from variable likelihood of encountering nanoscale regions of attraction (heterodomains) on grain surfaces that allow attachment. Implementing heterodomains in mechanistic simulations of pore scale trajectories generates continuum-scale rate coefficients that produce experimentally-observed breakthrough-elution curves (BTEC) and retention profiles (RP). However, current one-directional simulation across scales is inefficient in finding a heterodomain surface coverage that yields observed RP and BTEC. In this work, we develop an inverse two-population model approach that not only estimates colloid rate coefficients from experimental BTEC and RP data but also quantifies the associated uncertainty, thereby allowing the problem to be worked from both ends via comparison of (1) rate coefficients upscaled from mechanistic pore scale simulations incorporating heterodomains with (2) rate coefficients inverted from continuum-scale BTEC and RP. We validate our inverse model using synthetic data with known removal rates and subsequently demonstrate its applicability to experimental data with multiexponential and nonmonotonic RPs. We moreover derive what is likely the first analytical expression for the RP under repulsive conditions, revealing that the hypoexponential distribution can be used to reproduce multiexponential and non-monotonic shapes. By addressing key limitations in present models, our inverse approach offers a valuable tool for advancing colloidal transport predictions in natural environments.
{"title":"Inferring experimental colloid removal with an inverse two-population model linking continuum scale data to nanoscale features","authors":"Sabrina N. Volponi ,&nbsp;Giovanni Porta ,&nbsp;Bashar M. Al-Zghoul ,&nbsp;Diogo Bolster ,&nbsp;William P. Johnson","doi":"10.1016/j.advwatres.2025.104905","DOIUrl":"10.1016/j.advwatres.2025.104905","url":null,"abstract":"<div><div>Models of colloid transport in porous media that assume constant fractional loss per grain passed fail in the presence of repulsive barriers to attachment, under which condition experiments produce profiles of colloid concentrations with distance from source that are nonexponential. Nonexponential removal is hypothesized to arise from variable likelihood of encountering nanoscale regions of attraction (heterodomains) on grain surfaces that allow attachment. Implementing heterodomains in mechanistic simulations of pore scale trajectories generates continuum-scale rate coefficients that produce experimentally-observed breakthrough-elution curves (BTEC) and retention profiles (RP). However, current one-directional simulation across scales is inefficient in finding a heterodomain surface coverage that yields observed RP and BTEC. In this work, we develop an inverse two-population model approach that not only estimates colloid rate coefficients from experimental BTEC and RP data but also quantifies the associated uncertainty, thereby allowing the problem to be worked from both ends via comparison of (1) rate coefficients upscaled from mechanistic pore scale simulations incorporating heterodomains with (2) rate coefficients inverted from continuum-scale BTEC and RP. We validate our inverse model using synthetic data with known removal rates and subsequently demonstrate its applicability to experimental data with multiexponential and nonmonotonic RPs. We moreover derive what is likely the first analytical expression for the RP under repulsive conditions, revealing that the hypoexponential distribution can be used to reproduce multiexponential and non-monotonic shapes. By addressing key limitations in present models, our inverse approach offers a valuable tool for advancing colloidal transport predictions in natural environments.</div></div>","PeriodicalId":7614,"journal":{"name":"Advances in Water Resources","volume":"197 ","pages":"Article 104905"},"PeriodicalIF":4.0,"publicationDate":"2025-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143342377","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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Advances in Water Resources
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