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This study provides a kinematic explanation for why facies interfaces dominate solute transport in heterogeneous aquifers. Using flow and transport simulations, we apply kinematic metrics to quantify deformation processes that control plume evolution. Results show that strong conductivity contrasts generate preferential flow corridors, while transitional zones at facies interfaces act as persistent mixing fronts where stretching and folding intensify mixing. These cross-facies transitions emerge as the primary controls on transport observables such as dispersion and dilution, with within-facies variability exerting secondary effects. By linking sedimentary architecture to flow deformation, this work provides the mechanistic justification for earlier findings that cross-transition probabilities govern solute spreading. The results highlight the need to resolve geologic interfaces in both field characterization and remediation design. Flow topology offers a unifying framework for predicting transport in aquifers and points to opportunities for geophysical methods to target the key architectural features that regulate mixing and dilution. 

Understanding the fate and transport of per- and polyfluoroalkyl substances (PFAS) at contaminated sites is crucial for effective remedial and regulatory decision-making. This interdisciplinary study offers a novel approach for estimating and mapping PFAS sorption properties and their impact on PFAS fate and transport. By integrating electromagnetic induction (EMI) surveys, physical and chemical sediment characterization, mineralogical characterization, and batch sorption experiments of perfluorooctanoic acid (PFOA) and perfluorooctanesulfonic acid (PFOS), we develop a comprehensive mapping of sorption dynamics. Sediments collected from a compound bar deposit were analyzed to establish correlations between EMI signal, sediment characteristics, and PFOA and PFOS sorption distribution coefficients (Kd). Sorption behavior and EMI response of these compounds were consistent with the sediments’ physical and chemical properties where Kd and electrical conductivity was higher with finer grain size, higher organic matter content, and higher aluminum and iron contents. The study demonstrates that EMI effectively maps PFAS sorption properties spatially, providing crucial insights into the sedimentological controls that govern both EMI responses and PFAS sorption. Correlation analysis yielded Pearson correlation values of 0.71 for EMI-PFOA Kd and 0.56 for EMI-PFOS Kd, underscoring the potential of EMI in predicting the spatial distribution of PFAS sorption in complex sedimentary environments. While these Pearson correlation values indicate moderate to strong correlations, their significance is amplified by the cost-effectiveness and extensive aerial coverage of EMI, the sparsity of sediment samples typically collected for batch sorption, and their spatial distribution. These results highlight the potential of EMI to identify sorption hotspots, thereby guiding targeted remediation efforts and enhancing site management strategies, ultimately reducing both costs and environmental impacts. 

Numerical models have been extensively used to understand and predict flow and reactive transport processes in the hyporheic zone. However, most models focus on fully saturated riverbeds without accounting for surface water stage fluctuations related to precipitation and flooding. To capture the complete picture of hyporheic processes in riverbeds and riverbanks, we developed a fully-coupled multiphase reactive transport solver using the Open Source Field Operation And Manipulation (OpenFOAM) platform. This solver captures surface water stage fluctuations and partially-saturated flow in fluvial sediment using VoF two-phase flow and extendedDarcy’s Law two-phase flow models for surface and subsurface domains, respectively. The transport models designed for partially saturated conditions in both domains are implemented. A geochemical reaction module, PhreeqcRM, is integrated into the solver to facilitate complex geochemical reaction networks. A two-way conservative flux boundary condition is implemented at the surface-subsurface interface to realistically map fluxes. The solver’s capability is illustrated through a variety of hyporheic-related problems across spatial scales. These include laboratory experiments and reactive transport in two and three dimensions, from the bedform scale to multiscale riverbeds and riverbanks with fluctuating surface water flow. This novel solver allows for quantifying dynamics in the hyporheic zone with fewer simplifications. Based on the code structure and parallel design of OpenFOAM, the solver can simulate large, three-dimensional (3D) multiscale cases. The code, examples, and pre- and post-processing scripts are all open source, providing community access to use and modify them as desired. 

Groundwater-surface water interaction (hyporheic exchange) is critical in numerous hydrogeochemical processes; however, hyporheic exchange is difficult to characterize due to the various spatial (e.g., sedimentary architecture) and temporal (e.g., stage fluctuations) variables that influence it. This interdisciplinary study brings forth novel insights by integrating various methodologies including geophysical surveys, physical and chemical sediment characterization, and water chemistry analysis to explore the interplay of the numerous facets governing hyporheic zone processes within a compound bar deposit. The findings reveal distinct sedimentary facies and geochemical zones within the compound bar, driven by the sedimentary architecture. Cross-bar channel fills are identified as critical structures influencing hydrogeochemical dynamics, acting as baffles to groundwater flow and modulating nutrient transformations. Geophysical imaging and hydrogeochemical analyses highlight the complex interplay between sediment characteristics and subsurface hydraulic connectivity, emphasizing the role of sediment heterogeneity in controlling hyporheic exchange and solute mixing. The study concludes that sediment heterogeneity, particularly the presence of cross-bar channel fills, plays a pivotal role in the hydrogeochemical dynamics of the hyporheic zone. These structures significantly influence hyporheic flow paths, solute residence times, and nutrient cycling, underscoring the necessity to consider the fine-scale sedimentary architecture in models of hyporheic exchange. The findings contribute to a deeper understanding of riverine ecosystem processes, offering insights that can inform management strategies for water quality and ecological integrity. 

Per- and polyfluoroalkyl substances (PFAS) are surface-active contaminants, which are detected in groundwater globally, presenting serious health concerns. The vadose zone and surface water are recognized as primary sources of PFAS contamination. Previous studies have explored PFAS transport and retention mechanisms in the vadose zone, revealing that adsorption at interfaces and soil/sediment heterogeneity significantly influences PFAS retention. However, our understanding of how surface water−groundwater interactions along river corridors impact PFAS transport remains limited. To analyze PFAS transport during surface water−groundwater interactions, we performed saturated−unsaturated flow and reactive transport simulations in heterogeneous riparian sediments. Incorporating uncertainty quantification and sensitivity analysis, we identified key physical and geochemical sediment properties influencing PFAS transport. Our models considered aqueous-phase transport and adsorption both at the air−water interface (AWI) and the solid-phase surface. We tested different cases of heterogeneous sediments with varying volume proportions of higher permeability sediments, conducting 2000 simulations for each case, followed by global sensitivity and response surface analyses. Results indicate that sediment porosities, which are correlated to permeabilities, are crucial for PFAS transport in riparian sediments during river stage fluctuations. High-permeable sediment (e.g., sandy gravel, sand) is the preferential path for the PFAS transport, and low-permeable sediment (e.g., silt, clay) is where PFAS is retained. Additionally, the results show that adsorption at interfaces (AWI and solid phase) has a small impact on PFAS retention in riparian environments. This study offers insights into factors influencing PFAS transport in riparian sediments, potentially aiding the development of strategies to reduce the risk of PFAS contamination in groundwater from surface water. 

Nitrous oxide (N2O) is a potent greenhouse gas that also contributes to ozone depletion. Recent studies have identified river corridors as significant sources of N2O emissions. Surface water-groundwater (hyporheic) interactions along river corridors induce flow and reactive nitrogen transport through riparian sediments, thereby generating N2O. Despite the prevalence of these processes, the controlling influence of physical and geochemical parameters on N2O emissions from coupled aerobic and anaerobic reactive transport processes in heterogeneous riparian sediments is not yet fully understood. This study presents an integrated framework that combines a flow and multi-component reactive transport model (RTM) with an uncertainty quantification and sensitivity analysis tool to determine which physical and geochemical parameters have the greatest impact on N2O emissions from riparian sediments. The framework involves the development of thousands of RTMs, followed by global sensitivity and responsive surface analyses. Results indicate that characterizing the denitrification reaction rate constant and permeability of intermediate-permeability sediments (e.g., sandy gravel) are crucial in describing coupled nitrification-denitrification reactions and the magnitude of N2O emissions. This study provides valuable insights into the factors that influence N2O emissions from riparian sediments and can help in developing strategies to control N2O emissions from river corridors