Mechanical dispersion is driven by a variance in velocity rather than by the concentration gradient in the classical Fickian model. The groundwater community needs a theoretical development for this that offers a practical way to implement it (Konikow 2025). The method of Advective Transport Phenomena (De Lange 2020) describes mechanical dispersion based on the spread of water particles generated at sub-model scale by advective flow through zones with conductivity different from that of the overall aquifer, leading to a new parameter in the dispersive mass flux which is added to the advective mass flux computed at model scale similar to the existing approach in numerical modeling. The new parameter, called dispersive volume shift, is determined only by the traveled distance and the aquifer heterogeneity described by the horizontal and the vertical characteristic length and the log conductivity variance. The dispersive mass flux combines the dispersive volume shift and the concentration difference which is proportional to the traveled distance per time step. Using a spreadsheet model, the longitudinal concentration distribution in a traveling plume is simulated in a homogeneous aquifer and in a heterogeneous aquifer. The latter case shows asymmetry in the plume growth which is not produced by a classical Fickian model. Developments are still needed for application in general numerical modeling.
机械色散是由速度的变化而不是由经典菲克模型中的浓度梯度驱动的。地下水社区需要一个理论发展,提供一个实用的方法来实施它(Konikow 2025)。平流输运现象方法(De Lange 2020)描述了在子模式尺度上平流通过与整个含水层电导率不同的区域所产生的水颗粒的扩散,从而在弥散质量通量中增加了一个新的参数,该参数与模型尺度上计算的平流质量通量类似,类似于现有的数值模拟方法。新的参数,称为色散体积位移,仅由移动距离和由水平和垂直特征长度和测井电导率方差描述的含水层非均质性决定。色散质量通量结合了色散体积位移和浓度差,浓度差与每时间步长的行进距离成正比。利用电子表格模型,模拟了均匀含水层和非均匀含水层中移动羽流的纵向浓度分布。后一种情况显示了羽流生长的不对称性,这不是经典的菲克模型所能产生的。在一般数值模拟中的应用仍需进一步发展。
{"title":"Modeling Mechanical Dispersion by Using the Method of Advective Transport Phenomena, a First Step.","authors":"Willem J de Lange","doi":"10.1111/gwat.70050","DOIUrl":"https://doi.org/10.1111/gwat.70050","url":null,"abstract":"<p><p>Mechanical dispersion is driven by a variance in velocity rather than by the concentration gradient in the classical Fickian model. The groundwater community needs a theoretical development for this that offers a practical way to implement it (Konikow 2025). The method of Advective Transport Phenomena (De Lange 2020) describes mechanical dispersion based on the spread of water particles generated at sub-model scale by advective flow through zones with conductivity different from that of the overall aquifer, leading to a new parameter in the dispersive mass flux which is added to the advective mass flux computed at model scale similar to the existing approach in numerical modeling. The new parameter, called dispersive volume shift, is determined only by the traveled distance and the aquifer heterogeneity described by the horizontal and the vertical characteristic length and the log conductivity variance. The dispersive mass flux combines the dispersive volume shift and the concentration difference which is proportional to the traveled distance per time step. Using a spreadsheet model, the longitudinal concentration distribution in a traveling plume is simulated in a homogeneous aquifer and in a heterogeneous aquifer. The latter case shows asymmetry in the plume growth which is not produced by a classical Fickian model. Developments are still needed for application in general numerical modeling.</p>","PeriodicalId":94022,"journal":{"name":"Ground water","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2026-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146128074","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Martin Roth, Jared Grove, Andy Davis, James Cornell
In the past decade the groundwater modeling industry has trended toward more computationally intensive methods that necessarily require more parallel computing power due to the number of model runs required for these methods. Groundwater modeling that requires many parallel model runs is often limited by numerical burden or by the modeler's access to computational resources. Over the last 15 years the evolution of the cloud in accelerating groundwater model solutions has progressed; however, there are no apparent literature reviews of MODFLOW and PEST cloud implementation, specifically with regards to open-source and efficient scalable solutions. Here we describe infrastructure as code used to develop the architecture for running PEST++ in parallel on the cloud using Docker containers and open-source software to allow simple and repeatable cloud execution. The architecture utilizes Amazon Web Services and Terraform to facilitate cloud deployment and monitoring. A publicly available MODFLOW-6 model was used to evaluate parallel performance locally and in the cloud. Local model runs were found to have a linear 12 s increase in model run time per agent on a typical office computer compared to the cloud implementation's 0.02 s per model, indicating near perfect scaling even at up to 200 concurrent model runs. A consulting groundwater model was calibrated with the cloud infrastructure, which enabled acceleration of project completion at minimal cost.
在过去的十年中,地下水建模行业已经趋向于更多的计算密集型方法,由于这些方法需要大量的模型运行,必然需要更多的并行计算能力。需要多次并行模型运行的地下水模拟常常受到数值负担或建模者获取计算资源的限制。在过去的15年中,加速地下水模型解决方案中的云的演变取得了进展;然而,没有MODFLOW和PEST云实现的明显文献评论,特别是关于开源和有效的可扩展解决方案。在这里,我们将基础设施描述为用于开发架构的代码,该架构使用Docker容器和开源软件在云上并行运行PEST++,以允许简单且可重复的云执行。该架构利用Amazon Web Services和Terraform来促进云部署和监控。使用公开可用的MODFLOW-6模型来评估本地和云中的并行性能。我们发现,在典型的办公计算机上,本地模型运行的每个代理的模型运行时间线性增加了12秒,而云实现的每个模型运行时间为0.02秒,这表明即使在多达200个并发模型运行时,也可以近乎完美地扩展。咨询地下水模型与云基础设施进行了校准,从而以最小的成本加速了项目的完成。
{"title":"Improvements on Scalable and Reproducible Cloud Implementation of Numerical Groundwater Modeling.","authors":"Martin Roth, Jared Grove, Andy Davis, James Cornell","doi":"10.1111/gwat.70052","DOIUrl":"https://doi.org/10.1111/gwat.70052","url":null,"abstract":"<p><p>In the past decade the groundwater modeling industry has trended toward more computationally intensive methods that necessarily require more parallel computing power due to the number of model runs required for these methods. Groundwater modeling that requires many parallel model runs is often limited by numerical burden or by the modeler's access to computational resources. Over the last 15 years the evolution of the cloud in accelerating groundwater model solutions has progressed; however, there are no apparent literature reviews of MODFLOW and PEST cloud implementation, specifically with regards to open-source and efficient scalable solutions. Here we describe infrastructure as code used to develop the architecture for running PEST++ in parallel on the cloud using Docker containers and open-source software to allow simple and repeatable cloud execution. The architecture utilizes Amazon Web Services and Terraform to facilitate cloud deployment and monitoring. A publicly available MODFLOW-6 model was used to evaluate parallel performance locally and in the cloud. Local model runs were found to have a linear 12 s increase in model run time per agent on a typical office computer compared to the cloud implementation's 0.02 s per model, indicating near perfect scaling even at up to 200 concurrent model runs. A consulting groundwater model was calibrated with the cloud infrastructure, which enabled acceleration of project completion at minimal cost.</p>","PeriodicalId":94022,"journal":{"name":"Ground water","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2026-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146109330","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The N2/Ar method is valuable for studying legacy nitrate and denitrification progress in groundwater systems. It uses dissolved N2 and Ar concentrations to calculate the amount of N2 originating from denitrification (excess-N2). Successfully applying the method requires accurate values of N2 and Ar concentrations. Therefore, avoiding degassing and atmospheric contamination during groundwater sampling is crucial for reliable results. In this study, we focus on the effect of sampling devices on N2, Ar, and the resulting excess-N2 concentrations. To evaluate this effect over a wide concentration range, we sampled 14 observation wells. One sample was collected using a submersible pump and another using a bladder pump. Furthermore, we collected multiple samples with both pumps at a fifteenth site to assess reproducibility. Additionally, we used a point-source bailer for sampling at this site. The major ion concentrations show that the sampling device does not significantly influence the sample chemistry. In contrast, the measured N2, Ar, and calculated excess-N2 concentrations significantly differ between the sampling devices. Overall, the samples collected with the submersible pump show the highest N2 and Ar concentrations, resulting in the highest excess-N2 concentrations. N2 and Ar concentrations of the bladder pump samples are lower, resulting in lower excess-N2 concentrations. The bailer samples show lower N2 but similar Ar concentrations to the submersible pump samples, leading to the lowest excess-N2 concentrations. We conclude that a submersible pump is practical and suitable for collecting groundwater samples to assess denitrification by the N2/Ar method.
{"title":"Comparing Groundwater Sampling Devices for Denitrification Assessment Using the N<sub>2</sub>/Ar Method.","authors":"Felix Fahrenbach, Thomas R Rüde","doi":"10.1111/gwat.70047","DOIUrl":"https://doi.org/10.1111/gwat.70047","url":null,"abstract":"<p><p>The N<sub>2</sub>/Ar method is valuable for studying legacy nitrate and denitrification progress in groundwater systems. It uses dissolved N<sub>2</sub> and Ar concentrations to calculate the amount of N<sub>2</sub> originating from denitrification (excess-N<sub>2</sub>). Successfully applying the method requires accurate values of N<sub>2</sub> and Ar concentrations. Therefore, avoiding degassing and atmospheric contamination during groundwater sampling is crucial for reliable results. In this study, we focus on the effect of sampling devices on N<sub>2</sub>, Ar, and the resulting excess-N<sub>2</sub> concentrations. To evaluate this effect over a wide concentration range, we sampled 14 observation wells. One sample was collected using a submersible pump and another using a bladder pump. Furthermore, we collected multiple samples with both pumps at a fifteenth site to assess reproducibility. Additionally, we used a point-source bailer for sampling at this site. The major ion concentrations show that the sampling device does not significantly influence the sample chemistry. In contrast, the measured N<sub>2</sub>, Ar, and calculated excess-N<sub>2</sub> concentrations significantly differ between the sampling devices. Overall, the samples collected with the submersible pump show the highest N<sub>2</sub> and Ar concentrations, resulting in the highest excess-N<sub>2</sub> concentrations. N<sub>2</sub> and Ar concentrations of the bladder pump samples are lower, resulting in lower excess-N<sub>2</sub> concentrations. The bailer samples show lower N<sub>2</sub> but similar Ar concentrations to the submersible pump samples, leading to the lowest excess-N<sub>2</sub> concentrations. We conclude that a submersible pump is practical and suitable for collecting groundwater samples to assess denitrification by the N<sub>2</sub>/Ar method.</p>","PeriodicalId":94022,"journal":{"name":"Ground water","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146088447","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Regulatory agencies in humid temperate environments rely on timely evaluations of streamflow depletion and drawdown to protect aquatic ecosystems and existing water users. Numerical models offer detailed insights, but their complexity and time demands often preclude their practical use in rapid decision-making. We present pycap-dss, an open-source Python package that implements a suite of analytical solutions for estimating streamflow depletion and drawdown. The tool supports superposition of multiple wells and time-varying pumping, enabling cumulative impact assessments in situations with multiple wells and streams. The software is modular and extensible, allowing users to interchange solutions or add new analytical methods. A YAML-based configuration supports batch processing of multiple wells, and an optional AnalysisProject class facilitates integration with regulatory workflows. Rigorous unit and regression testing ensures computational reliability, and continuous integration supports ongoing development. We demonstrate deterministic examples of drawdown where multiple solutions are readily compared and streamflow depletion with multiple wells in the Central Sands region of Wisconsin. We also show the value of Monte Carlo analyses of streamflow depletion in the same Central Sands example, leveraging computational efficiency to evaluate the uncertainty of individual and cumulative streamflow depletion calculations from over 200 high-capacity wells.
{"title":"Teach Me How to PyCap: A High-Capacity Well Decision Support Tool Using Analytical Solutions in Python.","authors":"Michael N Fienen, Aaron H Pruitt, Howard W Reeves","doi":"10.1111/gwat.70046","DOIUrl":"https://doi.org/10.1111/gwat.70046","url":null,"abstract":"<p><p>Regulatory agencies in humid temperate environments rely on timely evaluations of streamflow depletion and drawdown to protect aquatic ecosystems and existing water users. Numerical models offer detailed insights, but their complexity and time demands often preclude their practical use in rapid decision-making. We present pycap-dss, an open-source Python package that implements a suite of analytical solutions for estimating streamflow depletion and drawdown. The tool supports superposition of multiple wells and time-varying pumping, enabling cumulative impact assessments in situations with multiple wells and streams. The software is modular and extensible, allowing users to interchange solutions or add new analytical methods. A YAML-based configuration supports batch processing of multiple wells, and an optional AnalysisProject class facilitates integration with regulatory workflows. Rigorous unit and regression testing ensures computational reliability, and continuous integration supports ongoing development. We demonstrate deterministic examples of drawdown where multiple solutions are readily compared and streamflow depletion with multiple wells in the Central Sands region of Wisconsin. We also show the value of Monte Carlo analyses of streamflow depletion in the same Central Sands example, leveraging computational efficiency to evaluate the uncertainty of individual and cumulative streamflow depletion calculations from over 200 high-capacity wells.</p>","PeriodicalId":94022,"journal":{"name":"Ground water","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2026-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146047609","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-01Epub Date: 2025-12-09DOI: 10.1111/gwat.70035
Noah R Heller, Marina Feraud, Chris Bonds, James D Bohan, Christian Leach, Kimberly A Miles
Many public supply wells (PSWs) fail because their water chemistry does not meet regulatory standards, despite pilot hole water quality testing suggesting compliance. This is partly attributed to conventional testing that focuses on the mid-section of permeable zones, excluding low-permeability units or aquitards. The main goal is to prove yield, so groundwater is sampled within the tested interval for efficiency. Clay boundaries are typically excluded from zone testing because of low expected yields, but they may harbor elevated concentrations of constituents of concern. Well discharge concentrations may thus be non-compliant due to the blend of groundwater from permeable, high-yield zones and less permeable, elevated concentration zones. We evaluated flow and chemistry across the screens of 143 wells in California and Nevada, identifying the screen intervals with maximum arsenic, iron, manganese, and nitrate concentrations. We examined the relationship between sediment type, flow contribution, and maximum concentrations, focusing on the influence of aquitard boundaries and interbedded sequences on geochemical outcomes. Maximum concentrations occurred mostly (73-84%) in well screens associated with interbedded or coarse sediments with an aquitard boundary. Intervals with aquitard boundaries had higher arsenic concentrations (p = 0.02). In non-compliant wells, 64-69% of the maximum metal concentrations were sourced from fine-grained and interbedded sediments, warranting their inclusion in water quality zone testing. Approaches that may provide the geochemical resolution to determine the distance between aquitard boundaries and well screens are suggested to minimize the risk of constructing non-compliant PSWs that then require treatment.
{"title":"The Essential Role of Aquitard Boundaries in Geochemical Outcomes for Public Supply Wells.","authors":"Noah R Heller, Marina Feraud, Chris Bonds, James D Bohan, Christian Leach, Kimberly A Miles","doi":"10.1111/gwat.70035","DOIUrl":"10.1111/gwat.70035","url":null,"abstract":"<p><p>Many public supply wells (PSWs) fail because their water chemistry does not meet regulatory standards, despite pilot hole water quality testing suggesting compliance. This is partly attributed to conventional testing that focuses on the mid-section of permeable zones, excluding low-permeability units or aquitards. The main goal is to prove yield, so groundwater is sampled within the tested interval for efficiency. Clay boundaries are typically excluded from zone testing because of low expected yields, but they may harbor elevated concentrations of constituents of concern. Well discharge concentrations may thus be non-compliant due to the blend of groundwater from permeable, high-yield zones and less permeable, elevated concentration zones. We evaluated flow and chemistry across the screens of 143 wells in California and Nevada, identifying the screen intervals with maximum arsenic, iron, manganese, and nitrate concentrations. We examined the relationship between sediment type, flow contribution, and maximum concentrations, focusing on the influence of aquitard boundaries and interbedded sequences on geochemical outcomes. Maximum concentrations occurred mostly (73-84%) in well screens associated with interbedded or coarse sediments with an aquitard boundary. Intervals with aquitard boundaries had higher arsenic concentrations (p = 0.02). In non-compliant wells, 64-69% of the maximum metal concentrations were sourced from fine-grained and interbedded sediments, warranting their inclusion in water quality zone testing. Approaches that may provide the geochemical resolution to determine the distance between aquitard boundaries and well screens are suggested to minimize the risk of constructing non-compliant PSWs that then require treatment.</p>","PeriodicalId":94022,"journal":{"name":"Ground water","volume":" ","pages":"64-76"},"PeriodicalIF":2.2,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145710710","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-01Epub Date: 2025-12-26DOI: 10.1111/gwat.70044
Madeline Gotkowitz, David Hart
{"title":"Aquitards in Groundwater Systems: Groundwater Special Issue.","authors":"Madeline Gotkowitz, David Hart","doi":"10.1111/gwat.70044","DOIUrl":"10.1111/gwat.70044","url":null,"abstract":"","PeriodicalId":94022,"journal":{"name":"Ground water","volume":" ","pages":"4-5"},"PeriodicalIF":2.2,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145835544","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Piyoosh Jaysaval, Jonathan N Thomle, Esteban J Bowles-Martinez, Rebecca L Kreuzer, Frederick D Day-Lewis
Long-term monitoring at landfills and impoundments containing coal combustion products (CCPs) or other industrial wastes is essential for detecting possible leachate releases to groundwater and mapping contamination plumes. This study evaluates a novel, non-invasive geophysical approach-towed time-domain electromagnetic (TEM) surveys-for non-invasive and rapid assessment of groundwater quality near landfills and impoundments that have the potential to release plumes with higher total dissolved solids (TDS) than groundwater. CCPs are one such example where releases can have relatively high sulfate, sodium, and/or calcium concentrations resulting in high TDS and, therefore, high electrical conductivity. This makes electromagnetic (EM) methods suitable for their detection and monitoring. Recent advancements in TEM technology enable efficient subsurface imaging over extensive areas using antennas towed by vehicles on land or boats on water bodies. TEM surveys provide valuable information about overburden thickness, geological structures, lithology, and pore-fluid TDS. We conducted integrated ground-based and waterborne TEM surveys at a CCP complex adjacent to a river in the eastern United States. Despite challenging site conditions, including railroad tracks, high-voltage power lines, and power-generation infrastructure, high-quality TEM data were collected. Over 20 line-km of data were acquired and inverted using laterally constrained two-dimensional (2D) and spatially constrained three-dimensional (3D) inversions. Results successfully delineated geological boundaries and identified conductive anomalies consistent with elevated TDS indicative of potential leachate plumes. Geophysical interpretations agreed well with water-quality data from nearby monitoring wells. This work highlights the effectiveness of integrated ground-based and floating TEM surveys for high-resolution characterization around CCP impoundments.
{"title":"Mapping High-TDS Groundwater Near Impoundments Using Ground and Waterborne Towed Electromagnetics.","authors":"Piyoosh Jaysaval, Jonathan N Thomle, Esteban J Bowles-Martinez, Rebecca L Kreuzer, Frederick D Day-Lewis","doi":"10.1111/gwat.70041","DOIUrl":"https://doi.org/10.1111/gwat.70041","url":null,"abstract":"<p><p>Long-term monitoring at landfills and impoundments containing coal combustion products (CCPs) or other industrial wastes is essential for detecting possible leachate releases to groundwater and mapping contamination plumes. This study evaluates a novel, non-invasive geophysical approach-towed time-domain electromagnetic (TEM) surveys-for non-invasive and rapid assessment of groundwater quality near landfills and impoundments that have the potential to release plumes with higher total dissolved solids (TDS) than groundwater. CCPs are one such example where releases can have relatively high sulfate, sodium, and/or calcium concentrations resulting in high TDS and, therefore, high electrical conductivity. This makes electromagnetic (EM) methods suitable for their detection and monitoring. Recent advancements in TEM technology enable efficient subsurface imaging over extensive areas using antennas towed by vehicles on land or boats on water bodies. TEM surveys provide valuable information about overburden thickness, geological structures, lithology, and pore-fluid TDS. We conducted integrated ground-based and waterborne TEM surveys at a CCP complex adjacent to a river in the eastern United States. Despite challenging site conditions, including railroad tracks, high-voltage power lines, and power-generation infrastructure, high-quality TEM data were collected. Over 20 line-km of data were acquired and inverted using laterally constrained two-dimensional (2D) and spatially constrained three-dimensional (3D) inversions. Results successfully delineated geological boundaries and identified conductive anomalies consistent with elevated TDS indicative of potential leachate plumes. Geophysical interpretations agreed well with water-quality data from nearby monitoring wells. This work highlights the effectiveness of integrated ground-based and floating TEM surveys for high-resolution characterization around CCP impoundments.</p>","PeriodicalId":94022,"journal":{"name":"Ground water","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-12-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145859705","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
R Blaine McCleskey, Charles A Cravotta, Katherine J Knierim, Paul E Stackelberg, Courtney Killian
Groundwater is increasingly needed for water supplies but may have limited utility in some locations because of its salinity. Salinity, often expressed as total dissolved solid (TDS), is frequently estimated using specific conductance (SC) measurements. However, the commonly used proxy (0.65 multiplied by SC to indicate TDS, common in many handheld meters) can result in inaccurate TDS estimates. First, the TDS-SC relationship is not linear over the entire concentration range of groundwater. Furthermore, the TDS (and salinity)-SC relationships vary substantially depending on the major-ion composition. Here we develop a proxy method utilizing SC and major-ion water type to estimate TDS and salinity specifically for groundwaters. Compared to most surface waters, groundwater tends to have a wider range of salinity (fresh to highly saline) and higher concentrations of bedrock-derived solutes such as carbonate ions, silica, and many other ions. The dataset used to develop the proxies includes water chemistry data from 149,059 discrete groundwater samples. The groundwater proxies, which employ nonlinear log-log relations, utilize five water types (HCO3, Cl, Ca-Mg-SO4, Na-K-SO4, and mixed waters), are accurate (median percent difference between TDS and salinity determined using the proxy compared to discrete measurements was <±0.8%) over a wide range of SC (up to 200 mS/cm), rapid, cost-effective, and can be measured on-site.
{"title":"Groundwater Salinity: Applying the Specific Conductance and Water Type Proxy.","authors":"R Blaine McCleskey, Charles A Cravotta, Katherine J Knierim, Paul E Stackelberg, Courtney Killian","doi":"10.1111/gwat.70038","DOIUrl":"https://doi.org/10.1111/gwat.70038","url":null,"abstract":"<p><p>Groundwater is increasingly needed for water supplies but may have limited utility in some locations because of its salinity. Salinity, often expressed as total dissolved solid (TDS), is frequently estimated using specific conductance (SC) measurements. However, the commonly used proxy (0.65 multiplied by SC to indicate TDS, common in many handheld meters) can result in inaccurate TDS estimates. First, the TDS-SC relationship is not linear over the entire concentration range of groundwater. Furthermore, the TDS (and salinity)-SC relationships vary substantially depending on the major-ion composition. Here we develop a proxy method utilizing SC and major-ion water type to estimate TDS and salinity specifically for groundwaters. Compared to most surface waters, groundwater tends to have a wider range of salinity (fresh to highly saline) and higher concentrations of bedrock-derived solutes such as carbonate ions, silica, and many other ions. The dataset used to develop the proxies includes water chemistry data from 149,059 discrete groundwater samples. The groundwater proxies, which employ nonlinear log-log relations, utilize five water types (HCO<sub>3</sub>, Cl, Ca-Mg-SO<sub>4</sub>, Na-K-SO<sub>4</sub>, and mixed waters), are accurate (median percent difference between TDS and salinity determined using the proxy compared to discrete measurements was <±0.8%) over a wide range of SC (up to 200 mS/cm), rapid, cost-effective, and can be measured on-site.</p>","PeriodicalId":94022,"journal":{"name":"Ground water","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145678747","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Rodrigo Pérez-Illanes, Christian D Langevin, Muhammad Muniruzzaman, Massimo Rolle
Solute transport simulators aiming to accurately describe the transport of charged chemical species in porous media need to account for electrostatic coupling effects. Each ion in pore water possesses a specific electric charge and molecular diffusion coefficient, properties that determine their mobility and the overall charge balance of aqueous solutions. Depending on the charge, concentration and aqueous diffusion coefficient, the displacement of an ion in solution influences, and is in turn influenced by, other ions in solution by means of electrostatic interactions. This phenomenon has been studied with experiments and numerical simulations in diffusion-dominated regimes, as well as in advection-dominated flow-through systems, showing that electrostatic coupling effects play a relevant role in the spatiotemporal prediction of ion concentrations. However, there is limited availability of solute transport codes incorporating electrostatic coupling, limiting applications of multispecies ionic transport at different scales. This article elaborates on the topic of electrostatic coupling and presents a methodology for incorporating the effect into multispecies solute transport simulations with MODFLOW. The integration is achieved through the Application Programming Interface of the program (MODFLOW-API). This interface enables the access to concentrations and dispersion coefficients of all species during the simulation, which are necessary to calculate a dispersive correction that effectively incorporates electrostatic coupling into the model. Numerical results demonstrate the effectiveness of the coupling strategy, benchmarking the implementation with previously validated numerical simulators and with experimental data.
{"title":"Incorporating Electrostatic Coupling Effects into Multispecies Solute Transport Simulations with MODFLOW.","authors":"Rodrigo Pérez-Illanes, Christian D Langevin, Muhammad Muniruzzaman, Massimo Rolle","doi":"10.1111/gwat.70033","DOIUrl":"https://doi.org/10.1111/gwat.70033","url":null,"abstract":"<p><p>Solute transport simulators aiming to accurately describe the transport of charged chemical species in porous media need to account for electrostatic coupling effects. Each ion in pore water possesses a specific electric charge and molecular diffusion coefficient, properties that determine their mobility and the overall charge balance of aqueous solutions. Depending on the charge, concentration and aqueous diffusion coefficient, the displacement of an ion in solution influences, and is in turn influenced by, other ions in solution by means of electrostatic interactions. This phenomenon has been studied with experiments and numerical simulations in diffusion-dominated regimes, as well as in advection-dominated flow-through systems, showing that electrostatic coupling effects play a relevant role in the spatiotemporal prediction of ion concentrations. However, there is limited availability of solute transport codes incorporating electrostatic coupling, limiting applications of multispecies ionic transport at different scales. This article elaborates on the topic of electrostatic coupling and presents a methodology for incorporating the effect into multispecies solute transport simulations with MODFLOW. The integration is achieved through the Application Programming Interface of the program (MODFLOW-API). This interface enables the access to concentrations and dispersion coefficients of all species during the simulation, which are necessary to calculate a dispersive correction that effectively incorporates electrostatic coupling into the model. Numerical results demonstrate the effectiveness of the coupling strategy, benchmarking the implementation with previously validated numerical simulators and with experimental data.</p>","PeriodicalId":94022,"journal":{"name":"Ground water","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145644035","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Anton Bøllingtoft, Wolfgang Nowak, Poul L Bjerg, Gro Lilbæk, Anders G Christensen, Mads Troldborg
Reliable mapping and delineation of contaminant plumes and accurate estimation of contaminant mass discharge (CMD) are critical for groundwater risk assessment and planning of remedial actions at contaminated sites. However, traditional interpolation methods are often challenged by low-density sampling resulting in improper plume delineation. This study introduces a probabilistic censoring method that enhances geostatistical interpolation by incorporating comparably cheap, high-resolution, but semi-quantitative data collected from direct push-probes in the subsurface. The method converts halogen-specific detector signals into binary presence-absence indicators, which are interpolated using indicator kriging to generate a probability field of contaminant distribution. The probability field is then used to censor a spatial concentration field derived from traditional groundwater sampling, retaining interpolated concentration values only in areas where contamination is likely. We apply the method to a site contaminated with chlorinated solvents using two datasets with different sampling densities. Results show that, using our new method, plume fringes became more clearly defined and the total area with low concentrations (<10 μg L-1) increased by 41-85%. CMD estimates were reduced by 13-18%, while relative uncertainty remained largely unchanged. The method integrates seamlessly with traditional interpolation methods and our censoring workflow can be applied to other forms of direct-push data (e.g., relative permeability). As such, the framework offers a useful method for incorporating semi-quantitative field measurements into concentration interpolation and CMD estimation at contaminated sites.
{"title":"Semi-Quantitative Direct-Push Data Can Improve Contaminant Delineation and Mass Discharge in Groundwater.","authors":"Anton Bøllingtoft, Wolfgang Nowak, Poul L Bjerg, Gro Lilbæk, Anders G Christensen, Mads Troldborg","doi":"10.1111/gwat.70034","DOIUrl":"https://doi.org/10.1111/gwat.70034","url":null,"abstract":"<p><p>Reliable mapping and delineation of contaminant plumes and accurate estimation of contaminant mass discharge (CMD) are critical for groundwater risk assessment and planning of remedial actions at contaminated sites. However, traditional interpolation methods are often challenged by low-density sampling resulting in improper plume delineation. This study introduces a probabilistic censoring method that enhances geostatistical interpolation by incorporating comparably cheap, high-resolution, but semi-quantitative data collected from direct push-probes in the subsurface. The method converts halogen-specific detector signals into binary presence-absence indicators, which are interpolated using indicator kriging to generate a probability field of contaminant distribution. The probability field is then used to censor a spatial concentration field derived from traditional groundwater sampling, retaining interpolated concentration values only in areas where contamination is likely. We apply the method to a site contaminated with chlorinated solvents using two datasets with different sampling densities. Results show that, using our new method, plume fringes became more clearly defined and the total area with low concentrations (<10 μg L<sup>-1</sup>) increased by 41-85%. CMD estimates were reduced by 13-18%, while relative uncertainty remained largely unchanged. The method integrates seamlessly with traditional interpolation methods and our censoring workflow can be applied to other forms of direct-push data (e.g., relative permeability). As such, the framework offers a useful method for incorporating semi-quantitative field measurements into concentration interpolation and CMD estimation at contaminated sites.</p>","PeriodicalId":94022,"journal":{"name":"Ground water","volume":" ","pages":""},"PeriodicalIF":2.2,"publicationDate":"2025-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145566835","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}