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Groundwater aquifers worldwide experience unsustainable depletion, compounded by population growth, economic development, and climate forcing. Managed aquifer recharge provides one tool to alleviate flood risk and replenish groundwater. However, concerns grow that intentional flooding of farmland for groundwater recharge, a practice known as Ag-MAR, may increase the leaching of pesticides and other chemicals into groundwater. This study employs a physically based unsaturated flow model to determine the fate and transport of residues of four pesticide in three vadose zone profiles characterized by differing fractions of sand (41 %, 61 %, and 84 %) in California's Central Valley. Here, we show that the complex heterogeneity of alternating coarse and fine-grain hydrogeologic units controls the transit times of pesticides and their adsorption and degradation rates. Unsaturated zones that contain a higher fraction of sand are more prone to support preferential flow, higher recharge rates (+8 %), and faster (42 %) water flow and pesticide transport, more flooding-induced pesticide leaching (about 22 %), as well as more salt leaching correlating with increased risks of groundwater contamination. Interestingly, considering preferential flow predicted higher degradation and retention rates despite shorter travel times, attributed to the trapping of pesticides in immobile zones where they degrade more effectively. The findings underscore the importance of considering soil texture and structure in Ag-MAR practices to minimize environmental risks while enhancing groundwater recharge. The study also highlights that selecting less mobile pesticides can reduce leaching risks in sandy areas.

Agricultural managed aquifer recharge (Ag-MAR) is a promising approach to replenish groundwater resources using flood water and cropland as spreading grounds. However, site selection, particularly the layering of sediment deposits in the subsurface, can greatly influence Ag-MAR efficacy as it controls water flow and solute transport in the vadose zone. In this study, we use the HYDRUS-1D software to simulate water flow and solute transport from the land surface to the groundwater table in three vadose zone profiles (LS, MS, HS) characterized by differing fractions of sand (44 %, 47 %, and 64 %). For each profile, the single- and dual-porosity models (i.e., considering or not nonequilibrium water flow and solute transport) were calibrated using observed surface ponding, soil water content, and KBr breakthrough data. Water flow and bromide transport in the profile with the lowest sand fraction (LS) were best captured using the model that considered both preferential flow and nonequilibrium bromide transport. Water flow and bromide transport in the profile with the highest sand fraction (HS) was best simulated with the model that considered preferential flow and equilibrium bromide transport. Uniform water flow and nonequilibrium bromide transport provided the best fit for the third profile (MS). The degree of preferential flow was highest in the profile with the largest sand fraction (HS), which also showed the largest flow velocities compared to the profiles with lower sand amounts (LS and MS). Preferential flow did not significantly impact the overall water balance (within 3 %), but caused a significant decrease in vadose zone travel times (bromide) by up to 38 %, relative to a single-porosity model fit. Recharge efficiency varied between 88 % and 90 %, while the average travel times from the soil surface to groundwater varied up to 119 % (from 3.6 to 7.9 days) between the three sites. This study demonstrates that similar recharge efficiency can be achieved at sites with differing soil texture profiles, but subsurface heterogeneity can substantially affect contaminant transport processes and their travel times.

Many arid and semi-arid regions of the world face challenges in maintaining the water quantity and quality needs of growing populations. A drywell is an engineered vadose zone infiltration device widely used for stormwater capture and managed aquifer recharge. To our knowledge, no prior studies have quantitatively examined virus transport from a drywell, especially in the presence of subsurface heterogeneity. Axisymmetric numerical experiments were conducted to systematically study virus fate from a drywell for various virus removal and subsurface heterogeneity scenarios under steady-state flow conditions from a constant head reservoir. Subsurface domains were homogeneous or had stochastic heterogeneity with selected standard deviation (σ) of lognormal distribution in saturated hydraulic conductivity and horizontal (X) and vertical (Z) correlation lengths. Low levels of virus concentration tailing can occur even at a separation distance of 22 m from the bottom of the drywell, and 6-log10 virus removal was not achieved when a small detachment rate (kd1=1 × 10⁻⁵ min⁻¹) is present in a homogeneous domain. Improved virus removal was achieved at a depth of 22 m in the presence of horizontal lenses (e.g., X=10 m, Z=0.1 m, σ=1) that enhanced the lateral movement and distribution of the virus. In contrast, faster downward movement of the virus with an early arrival time at a depth of 22 m occurred when considering a vertical correlation in permeability (X=1 m, Z=2 m, σ=1). Therefore, the general assumption of a 1.5-12 m separation distance to protect water quality may not be adequate in some instances, and site-specific microbial risk assessment is essential to minimize risk. Microbial water quality can potentially be improved by using an in situ soil treatment with iron oxides to increase irreversible attachment and solid-phase inactivation.

Food contamination is a major worldwide risk for human health. Dynamic plant uptake of pollutants from contaminated environments is the preferred pathway into the human and animal food chain. Mechanistic models represent a fundamental tool for risk assessment and the development of mitigation strategies. However, difficulty in obtaining comprehensive observations in the soil-plant continuum hinders their calibration, undermining their generalizability and raising doubts about their widespread applicability. To address these issues, a Bayesian probabilistic framework is used, for the first time, to calibrate and assess the predictive uncertainty of a mechanistic soil-plant model against comprehensive observations from an experiment on the translocation of carbamazepine in green pea plants. Results demonstrate that the model can reproduce the dynamics of water flow and solute reactive transport in the soil-plant domain accurately and with limited uncertainty. The role of different physicochemical processes in bioaccumulation of carbamazepine in fruits is investigated through Global Sensitivity Analysis, which shows how soil hydraulic properties and soil solute sorption regulate transpiration streams and bioavailability of carbamazepine. Overall, the analysis demonstrates the usefulness of mechanistic models and proposes a comprehensive numerical framework for their assessment and use.

Drywells (DWs) and infiltration basins (IBs) are widely used as managed aquifer recharge (MAR) devices to capture stormwater runoff and recharge groundwater. However, no published research has compared the performance of these two engineered systems under shared conditions. Numerical experiments were conducted on an idealized 2D-axisymmetric domain using the HYDRUS (2D/3D) software to systematically study the performance of a circular IB design (diameter and area) and partially penetrating DW (38 m length with water table > 60 m). The effects of subsurface heterogeneity on infiltration, recharge, and storage from the DW and IB under constant head conditions were investigated. The mean cumulative infiltration (μI) and recharge (μR) volumes increased, and the arrival time of recharge decreased with the IB area. Values of μI were higher for a 70 m diameter IB than an DW, whereas the value of μR was higher for a DW after 1-year of a constant head simulation under selected subsurface heterogeneity conditions. A comparison between mean μI, μR, and mean vadose zone storage (μS) values for all DW and IB stochastic simulations (70 for each MAR scenario) under steady-state conditions demonstrated that five DWs can replace a 70 m diameter IB to achieve significantly higher infiltration and recharge over 20 years of operation. Additional numerical experiments were conducted to study the influence of a shallow clay layer by considering an IB, DW, and a DW integrated into an IB. The presence of such a low permeable layer delayed groundwater recharge from an IB. In contrast, a DW can penetrate tight clay layers and release water below them and facilitate rapid infiltration and recharge. The potential benefits of a DW compared to an IB include a smaller footprint, the potential for pre-treatments to remove contaminants, less evaporation, less mobilization of in-situ contaminants, and potentially lower maintenance costs. Besides, this study demonstrates that combining both IB and DW helps to get the best out of both MAR techniques.

Drywells are widely used as managed aquifer recharge devices to capture stormwater runoff and recharge groundwater, but little research has examined the role of subsurface heterogeneity in hydraulic properties on drywell recharge efficiency. Numerical experiments were therefore conducted on a 2D-axisymmetric domain using the HYDRUS (2D/3D) software to systematically study the influence of various homogenous soil types and subsurface heterogeneity on recharge from drywells under constant head conditions. The mean cumulative infiltration (μI) and recharge (μR) volumes increased with an increase in the saturated hydraulic conductivity (Ks ) for various homogeneous soils. Subsurface heterogeneity was described by generating ten stochastic realizations of soil hydraulic properties with selected standard deviation (σ), and horizontal (X) and vertical (Z) correlation lengths. After 365 days, values of μI, μR, and the radius of the recharge area increased with σ and X but decreased with Z. The value of μR was always smaller for a homogeneous than a heterogeneous domain. This indicates that recharge for a heterogeneous profile cannot be estimated with an equivalent homogeneous profile. The value of μR was always smaller than μI and correlations were highly non-linear due to vadose zone storage. Knowledge of only infiltration volume can, therefore, lead to misinterpretation of recharge efficiency, especially at earlier times. The arrival time of the wetting front at the bottom boundary (60 m) ranged from 21-317 days, with earlier times occurring for increasing σ and Z. The corresponding first arrival location can be 0.1-44 m away from the bottom releasing point of a drywell in the horizontal direction, with greater distances occurring for increasing σ and X. This knowledge is important to accurately assess drywell recharged performance, water quantity, and water quality.

Although nanoscale surface roughness has been theoretically demonstrated to be a crucial factor in the interaction of colloids and surfaces, little experimental research has investigated the influence of roughness on colloid or silver nanoparticle (AgNP) retention and release in porous media. This study experimentally examined AgNP retention and release using two sands with very different surface roughness properties over a range of solution pH and/or ionic strength (IS). AgNP transport was greatly enhanced on the relatively smooth sand in comparison to the rougher sand, at higher pH, and lower IS and fitted model parameters showed systematic changes with these physicochemical factors. Complete release of the retained AgNPs was observed from the relatively smooth sand when the solution IS was decreased from 40 mM NaCl to deionized (DI) water and then the solution pH was increased from 6.5 to 10. Conversely, less than 40% of the retained AgNPs was released in similar processes from the rougher sand. These observations were explained by differences in the surface roughness of the two sands which altered the energy barrier height and the depth of the primary minimum with solution chemistry. Limited numbers of AgNPs apparently interacted in reversible, shallow primary minima on the smoother sand, which is consistent with the predicted influence of a small roughness fraction (e.g., pillar) on interaction energies. Conversely, larger numbers of AgNPs interacted in deeper primary minima on the rougher sand, which is consistent with the predicted influence at concave locations. These findings highlight the importance of surface roughness and indicate that variations in sand surface roughness can greatly change the sensitivity of nanoparticle transport to physicochemical factors such as IS and pH due to the alteration of interaction energy and thus can strongly influence nanoparticle mobility in the environment.

Food contamination is responsible for thousands of deaths worldwide every year. Plants represent the most common pathway for chemicals into the human and animal food chain. Although existing dynamic plant uptake models for chemicals are crucial for the development of reliable mitigation strategies for food pollution, they nevertheless simplify the description of physicochemical processes in soil and plants, mass transfer processes between soil and plants and in plants, and transformation in plants. To fill this scientific gap, we couple a widely used hydrological model (HYDRUS) with a multicompartment dynamic plant uptake model, which accounts for differentiated multiple metabolization pathways in plant's tissues. The developed model is validated first theoretically and then experimentally against measured data from an experiment on the translocation and transformation of carbamazepine in three vegetables. The analysis is further enriched by performing a global sensitivity analysis on the soil-plant model to identify factors driving the compound's accumulation in plants' shoots, as well as to elucidate the role and the importance of soil hydraulic properties on the plant uptake process. Results of the multilevel numerical analysis emphasize the model's flexibility and demonstrate its ability to accurately reproduce physicochemical processes involved in the dynamic plant uptake of chemicals from contaminated soils.

A quantitative understanding of virus removal during aquifer storage and recovery (ASR) in physically and geochemically heterogeneous aquifers is needed to accurately assess human health risks from viral infections. A two-dimensional axisymmetric numerical model incorporating processes of virus attachment, detachment, and inactivation in aqueous and solid phases was developed to systematically evaluate the virus removal performance of ASR schemes. Physical heterogeneity was considered as either layered or randomly distributed hydraulic conductivities (with selected variance and horizontal correlation length). Geochemical heterogeneity in the aquifer was accounted for using Colloid Filtration Theory to predict the spatial distribution of attachment rate coefficient. Simulation results demonstrate that the combined effects of aquifer physical heterogeneity and spatial variability of attachment rate resulted in higher virus concentrations in the recovered water at the ASR well (i.e. reduced virus removal). While the sticking efficiency of viruses to aquifer sediments was found to significantly influence virus concentration in the recovered water, the solid phase inactivation under realistic field conditions combined with the duration of storage phase had a predominant influence on the overall virus removal. The relative importance of physical heterogeneity increased under physicochemical conditions that reduced virus removal (e.g. lower value of sticking efficiency or solid phase inactivation rate). This study provides valuable insight on site selection of ASR projects and an approach to optimize ASR operational parameters (e.g. storage time) for virus removal and to minimize costs associated with post-recovery treatment.

The "HYDRUS package for MODFLOW" is an existing MODFLOW package that allows MODFLOW to simultaneously evaluate transient water flow in both unsaturated and saturated zones. The package is based on incorporating parts of the HYDRUS-1D model (to simulate unsaturated water flow in the vadose zone) into MODFLOW (to simulate saturated groundwater flow). The coupled model is effective in addressing spatially variable saturated-unsaturated hydrological processes at the regional scale. However, one of the major limitations of this coupled model is that it does not have the capability to simulate solute transport along with water flow and therefore, the model cannot be employed for evaluating groundwater contamination. In this work, a modified unsaturated flow and transport package (modified HYDRUS package for MODFLOW and MT3DMS) has been developed and linked to the three-dimensional (3D) groundwater flow model MODFLOW and the 3D groundwater solute transport model MT3DMS. The new package can simulate, in addition to water flow in the vadose zone, also solute transport involving many biogeochemical processes and reactions, including first-order degradation, volatilization, linear or nonlinear sorption, one-site kinetic sorption, two-site sorption, and two-kinetic sites sorption. Due to complex interactions at the groundwater table, certain modifications of the pressure head (compared to the original coupling) and solute concentration profiles were incorporated into the modified HYDRUS package. The performance of the newly developed model is evaluated using HYDRUS (2D/3D), and the results indicate that the new model is effective in simulating the movement of water and contaminants in the saturated-unsaturated flow domains.

Deficit irrigation practices carried out in very high-density olive orchards grown in the Alentejo region of southern Portugal can bring important economic benefits in terms of water savings, yields, and oils. They can also result in serious salinization/sodification problems without proper management of soil and water resources. The main objective of this study was to evaluate the long-term (30 years) impact of those irrigation practices on local soil resources using a multicomponent transport modeling approach embedded in the HYDRUS-1D model. Soil salinization and sodification risks were quantified for 160 soil profiles by considering eight different scenarios: current monitored irrigation practices (S1), using waters of variable quality (S2-S6), planting maize as an alternative crop (S7), and using climate change projections for the region (S8). Despite the large observed variability, simulations that considered current irrigation practices (S1) produced average values of the electrical conductivity of the soil solution (EC sw ) at the end of the leaching seasons always below the threshold limit for crops moderately tolerant to soil salinity. In this scenario, the average values of the sodium adsorption ratio (SAR) were also kept within the same magnitude of those determined at the beginning of the simulation period (initial conditions). Irrigations with worse quality waters (S2-S6) led to higher EC sw and SAR values. Although annual rainfall amounts influenced the salinity build-up, the SAR evolution depended mainly on water quality. In maize soil profiles (S7), the simulated EC sw and SAR values were lower than in olive soil profiles, with irrigation practices contributing to salt removal during the seasons. Conversely, the climate change scenario (S8) resulted in slightly higher EC sw and SAR values than those simulated for current conditions, indicating a potentially greater risk of soil degradation in the near future. Although current irrigation practices seem to present relatively low soil salinization/sodification risks, the variability of results and the uncertainty associated with model predictions indicate that close monitoring to prevent further degradation of soil and water resources in the region should be recommended.

In this comparative research, we applied the HYDRUS (2D/3D) and SALTMED models to investigate the influence of various water-saving irrigation strategies on maize water footprints (WFs). The models were first calibrated and validated based on data collected in a two-year field investigation under five water-saving irrigation treatments: full irrigation (FI), partial root-zone drying at water deficit levels of 55% (PRD55) and 75% (PRD75), and deficit irrigation at the same levels (DI55 and DI75). While the SALTMED model performed well when simulating crop growth parameters, with absolute relative error (RE) of 3.5–12%, the HYDRUS (2D/3D) model was more accurate when simulating soil water and solute transport, with the normalized values of the root mean square error (nRMSEs, 6.7–31.8%) and the mean bias error (nMBEs, 7.7–34.3%) lower than by SALTMED. This better performance of HYDRUS (2D/3D) resulted in 0.6–3.0% and 5.3–30.2% lower values of estimated consumptive and degradative WFs, respectively, compared to values estimated by SALTMED. While no considerable differences were observed among various irrigation treatments regarding their consumptive WFs for the maize production, PRD75 may represent a safer option under the water crisis, since its grey WF was 17.1–77.2% lower than those estimated for the other water-saving irrigation treatments. This WF reduction was accompanied by an insignificant reduction in crop yield and improved N uptake. Based on our results, while HYDRUS (2D/3D) provides more reliable results, both the HYDRUS (2D/3D) and SALTMED models may be applied for the evaluation of new targets implemented for achieving sustainable agriculture in water-scarce regions.

The roles of graphene oxide (GO) particle geometry, GO surface orientation, surface roughness, and nanoscale chemical heterogeneity on interaction energies, aggregation, retention, and release of GO in porous media were not fully considered in previous studies. Consequently, mechanisms controlling the environmental fate of GO were incompletely or inaccurately quantified. To overcome this limitation, plate-plate interaction energies were modified to account for these factors and used in conjunction with a mathematical model to interpret the results of GO aggregation, retention, and release studies. Calculations revealed that these factors had a large influence on the predicted interaction energy parameters. Similar to previous literature, the secondary minimum was predicted to dominate on smooth, chemically homogeneous surfaces that were oriented parallel to each other, especially at higher ionic strength (IS). Conversely, shallow primary minimum interactions were sometimes predicted to occur on surfaces with nanoscale roughness and chemical heterogeneity due to adsorbed Ca2+ ions, especially when the GO particles were oriented perpendicular to the interacting surface. Experimental results were generally consistent with these predictions and indicated that the primary minimum played a major role in GO retention and the secondary minimum contributed to GO release with IS reduction. Cation exchange (Na+ replacing Ca2+) enhanced GO release with IS reduction when particles were initially deposited in the presence of Ca2+ ions. However, retained GO were always completely recovered into the excess deionized water when the sand pore structure was destroyed during excavation, and this indicates that primary minima were shallow and that the pore structure also played an important role in GO retention. Further evidence for the role of pore structure on GO retention was obtained by conducting experiments in finer textured sand and at higher input concentrations that induced greater aggregation. In both cases, greater GO retention occurred, and retention profiles became more hyperexponential in shape.

For optimal water and fertilizer management under furrow irrigation, it is important to understand the water and solute dynamics on the land surface and in the subsurface. An efficient mathematical tool is required to describe these dynamic processes. We propose a coupled model in which surface water flow and solute transport are described using the zero-inertia equation and the average cross-sectional convection-dispersion equation, respectively, while the two-dimensional Richards equation and the convection-dispersion equation are used to simulate water flow and solute transport in soils, respectively. Solutions are computed numerically using finite differences for surface water flow and finite volumes for solute transports in furrow. Subsurface water flow and solute transport equations are solved using the CHAIN_2D code. An iterative method is used to couple computations of surface and subsurface processes. Both surface and subsurface water flow and solute transport modules are coded in program subroutines and functions in the Intel FORTRAN environment. The coupled model was validated by comparing its simulation results with measured data. Results showed that simulated water front advances in the furrow and water contents in the soil agreed with the observations reasonably well. Good simulations can be achieved with a relatively fine temporal resolution. Numerical oscillations can be eliminated by adopting appropriate time steps. As compared with the traditional furrow irrigation model, the proposed model can better quantify soil water and solute dynamics by considering interactions between surface and subsurface water flow and solute transport processes. The proposed model can be used as a decision tool to design and manage furrow irrigation.

Drywells are increasingly used to capture stormwater runoff for surface infiltration and aquifer recharge, but little research has examined the role of ubiquitous subsurface heterogeneity in hydraulic properties on drywell performance. Numerical experiments were therefore conducted using the HYDRUS (2D/3D) software to systematically study the influence of subsurface heterogeneity on drywell infiltration. Subsurface heterogeneity was described deterministically by defining soil layers or lenses, or by generating stochastic realizations of soil hydraulic properties with selected variance (σ) and horizontal (X) and vertical (Z) correlation lengths. The infiltration rate increased when a high permeability layer/lens was located at the bottom of the drywell, and had larger vertical and especially horizontal dimensions. Furthermore, the average cumulative infiltration (I) for 100 stochastic realizations of a given subsurface heterogeneity increased with σ and X, but decreased with Z. This indicates that the presence of many highly permeable, laterally extending lenses provides a larger surface area for enhanced infiltration than the presence of isolated, highly permeable lenses. The ability to inversely determine soil hydraulic properties from numerical drywell infiltration results was also investigated. The hydraulic properties and the lateral extension of a highly permeable lens could be accurately determined for certain idealized situations (e.g., simple layered profiles) using constant head tests. However, variability in soil hydraulic properties could not be accurately determined for systems that exhibited more realistic stochastic heterogeneity. In this case, the heterogeneous profile could be replaced with an equivalent homogeneous profile and values of an effective isotropic saturated conductivity (Ks) and the shape parameter in the soil water retention function (α) could be inversely determined. The average value of Ks for 100 stochastic realizations showed a similar dependency to I on σ, X, and Z. Whereas, the average value of α had large confidence interval for soil heterogeneity parameters and played a secondary role in drywell infiltration. This research provides valuable insight on the selection of site, design, installation, and long-term performance of a drywell.

Observations of soil moisture content from remote sensing platforms can be used in conjunction with hydrological models to inversely estimate soil hydraulic properties (SHPs). In recent years, cosmic-ray neutron sensing (CRNS) has proven to be a reliable method for the estimation of area-average soil moisture at field scales. However, its use in the inverse estimation of the effective SHPs is largely unexplored. Thus, the main objective of this study was to assess the information content of aboveground fast-neutron counts to estimate SHPs using both a synthetic modeling study and actual experimental data from the Rollesbroich catchment in Germany. For this, the forward neutron operator COSMIC was externally coupled with the hydrological model HYDRUS-1D. The coupled model was combined with the Affine Invariant Ensemble Sampler to calculate the posterior distributions of effective soil hydraulic parameters as well as the model-predictive uncertainty for different synthetic and experimental scenarios. Measured water contents at different depths were used to assess estimated SHPs. The analysis of both synthetic and actual CRNS data from homogenous and heterogeneous soil profiles, respectively, led to confident estimations of the shape parameters a and n, while higher uncertainty was observed for the saturated hydraulic conductivity. Furthermore, results demonstrated that neutron data are less influenced by local sources of uncertainty compared with near-surface point measurements. The simultaneous use of CRNS and water content data further reduced the overall uncertainty, opening up new perspectives for the combination of CRNS with other remote sensing techniques for the inverse estimation of the effective SHPs.

A low-cost subsurface irrigation system can generate benefits for small-scale farmers who have scarce water resources. A ring-shaped emitter made from a standard rubber hose has been developed and introduced for subsurface irrigation in Indonesia. It is a low-cost irrigation technology based on indigenous materials and skills. To build a ring-shaped emitter of the original design, a rubber hose is bent into a ring shape with a diameter of about 20 cm, and then five 5-mm holes are drilled into it at even intervals. Next, the entire ring-shaped hose is covered with a permeable textile so that water can infiltrate in all directions around the buried emitter. Water is applied from a water tank connected to the emitter by adjusting the pressure head imposed at the inlet of the emitter. Although it has been successfully used in practice, the performance of the ring-shaped emitter has not been evaluated in detail. Additionally, because the ring-shaped hose is fully covered with the textile, it may be difficult to detect any malfunctions or repair it. To promote the ring-shaped emitter for subsurface irrigation among small-scale farmers in arid or semi-arid regions, it is important to design an emitter that is easy to maintain. This study proposes a reduction in the number of holes and a change of covering method. Because the number of experiments that can be carried out to evaluate the performance of alternative ring-shaped emitters is usually limited, numerical simulations can be performed in addition to experiments. The main objectives of this study thus were 1) to experimentally investigate the water movement around a buried ring-shaped emitter and 2) to numerically evaluate the effect of modifying the design of the ring-shaped emitter on soil water dynamics around the emitter. Numerical simulations were carried out using HYDRUS, one of the most complete packages for simulating variably-saturated water flow in two- or three-dimensional domains. HYDRUS simulations in a fully three-dimensional domain were performed using the soil hydraulic parameters that were optimized against experimental data collected during experiments with the original ring-shaped emitter. Simulation results confirmed that reducing the number of holes does not significantly affect the water availability in silt for model plants, such as tomato and strawberry, and that covering the entire emitter is not necessary. Partially covering the emitter allows one to maintain the emitter much more easily compared to the original fully-covered emitter.

Contaminants can be rapidly transported at the soil surface by runoffto surface water bodies. Physically-based models (PBMs), which are based on the mathematical description of main hydrological processes, are key tools for predicting surface water impairment. Along with PBMs, data-driven models are becoming increasingly popular for describing the behavior of hydrological and water resources systems since these models can be used to complement or even replace physically based-models. Here we propose a new data-driven model as an alternative to a physically-based overland flow and transport model. First, we have developed a physically-based numerical model to simulate overland flow and contaminant transport. A large number of numerical simulations was then carried out to develop a database containing information about the impact of various relevant factors on surface runoffquantity and quality, such as different weather patterns, surface topography, vegetation, soil conditions, contaminants, and best management practices. Finally, the resulting database was used to train data-driven models. Several Machine Learning techniques were explored to find input-output functional relations. The results indicate that the Neural Network model with two hidden layers performed the best among selected data-driven models, accurately predicting runoffwater quantity and quality over a wide range of parameters.

The influence of virus type (PRD1 and ΦX174), temperature (flow at 4 and 20°C), a no-flow storage duration (0, 36, 46, and 70 d), and temperature cycling (flow at 20°C and storage at 4°C) on virus transport and fate were investigated in saturated sand-packed columns. The vast majority (84-99.5%) of viruses were irreversibly retained on the sand, even in the presence of deionized water and beef extract at pH = 11. The reversibly retained virus fraction () was small (1.6 × 10 to 0.047) but poses a risk of long-term virus contamination. The value of and associated transport risk was lower at a higher temperature and for increases in the no-flow storage period due to the temperature dependency of the solid phase inactivation. A model that considered advective-dispersive transport, attachment (), detachment (), solid phase inactivation (μ), and liquid phase inactivation (μ) coefficients, and a Langmuirian blocking function provided a good description of the early portion of the breakthrough curve. The removal parameters were found to be in the order of > μ >> μ. Furthermore, μ was an order of magnitude higher than μ for PRD1, whereas μ was two and three orders of magnitude higher than μ for ΦX174 at 4 and 20°C, respectively. Transport modeling with two retention, release, and inactivation sites demonstrated that a small fraction of viruses exhibited a much slower release and solid phase inactivation rate, presumably because variations in the sand and virus surface roughness caused differences in the strength of adhesion. These findings demonstrate the importance of solid phase inactivation, temperature, and storage periods in eliminating virus transport in porous media. This research has potential implications for managed aquifer recharge applications and guidelines to enhance the virus removal by controlling the temperature and aquifer residence time.

The HYDRUS (2D/3D) model was applied to investigate the probable effects of different subsurface drainage systems on the soil water dynamics under a rainfed-canola cropping system in paddy fields. Field experiments were conducted during two rainfed-canola growing seasons on the subsurface-drained paddy fields of the Sari Agricultural Sciences and Natural Resources University, Mazandaran Province, northern Iran. A drainage pilot consisting of subsurface drainage systems with different drain depths and spacings was designed. Canola was cultivated as the second crop after the rice harvest. Measurements of the groundwater table depth and drain discharge were taken during the growing seasons. The performance of the HYDRUS-2D model during the calibration and validation phases was evaluated using the model efficiency (EF), root mean square error (RMSE), normalized root mean square error (NRMSE) and mean bias error (MBE) measures. Based on the criteria indices (MBE = 0.01–0.17 cm, RMSE = 0.05–1.02 and EF = 0.84–0.96 for drainage fluxes, and MBE = 0.01–0.63, RMSE = 0.34–5.54 and EF = 0.89–0.99 for groundwater table depths), the model was capable of predicting drainage fluxes as well as groundwater table depths. The simulation results demonstrated that HYDRUS (2D/3D) is a powerful tool for proposing optimal scenario to achieve sustainable shallow aquifers in subsurface-drained paddy fields during winter cropping. Copyright © 2017 John Wiley & Sons, Ltd.

Growing production of manufactured nanomaterials has increased the possibility of contamination of groundwater resources and soils by nanoparticles (NPs). It is crucial to study the fate of NPs in subsurface porous media in order to evaluate and control their risks to ecosystems and human health. Hence, this study was conducted to investigate the transport and retention of polyvinylpyrrolidone (PVP) stabilized silver nanoparticles (AgNPs, a diameter of 40 nm) under saturated and unsaturated conditions in intact columns of two calcareous sandy loam (TR) and loam (ZR) soils. Furthermore, similar experiments were conducted using sand quartz as a reference medium. A pulse of the AgNP suspension with an input concentration (C0) of 50 mg L−1 was injected into the columns for 3 pore volumes. The transport of bromide (Br), as a non-reactive inert tracer, was also examined. High mobility of AgNPs was observed through the sand columns due to unfavorable conditions for AgNP deposition on the quartz sand surfaces. Nearly all AgNPs introduced into the columns of both soils were retained in the soil. Percentages of AgNPs leached out of the columns were

Drywells are increasingly used for stormwater management and enhanced aquifer recharge, but only limited research has quantitatively determined the performance of drywells. Numerical and field scale experiments were, therefore, conducted to improve our understanding and ability to characterize the drywell behavior. In particular, HYDRUS (2D/3D) was modified to simulate transient head boundary conditions for the complex geometry of the Maxwell Type IV drywell; i.e., a sediment chamber, an overflow pipe, and the variable geometry and storage of the drywell system with depth. Falling-head infiltration experiments were conducted on drywells located at the National Training Center in Fort Irwin, California (CA) and a commercial complex in Torrance, CA to determine in situ soil hydraulic properties (the saturated hydraulic conductivity, Ks , and the retention curve shape parameter, α) for an equivalent uniform soil profile by inverse parameter optimization. A good agreement between the observed and simulated water heights in wells was obtained for both sites as indicated by the coefficient of determination 0.95-0.99-%, unique parameter fits, and small standard errors. Fort Irwin and Torrance drywells had very distinctive soil hydraulic characteristics. The fitted value of Ks =1.01 × 10-3 m min-1 at the Torrance drywell was consistent with the sandy soil texture at this site and the default value for sand in the HYDRUS soil catalog. The drywell with this Ks = 1.01 × 10-3 m min-1 could easily infiltrate predicted surface runoff from a design rain event (∼51.3 m3) within 5760 min (4 d). In contrast, the fitted value of Ks=2.25 × 10-6 m min-1 at Fort Irwin was very low compared to the Torrance drywell and more than an order of magnitude smaller than the default value reported in the HYDRUS soil catalog for sandy clay loam at this site, likely due to clogging. These experiments and simulations provide useful information to characterize effective soil hydraulic properties in situ, and to improve the design of drywells for enhanced recharge.

The capabilities of the HYDRUS-1D and HYDRUS (2D/3D) software packages continuously expanded during the last two decades. Various new capabilities were added recently to both software packages, mostly by developing new standard add-on modules such as HPx, C-Ride, UnsatChem, Wetland, Fumigant, DualPerm, and Slope Stability. The new modules may be used to simulate flow and transport processes in one- and two-dimensional transport domains and are fully supported by the HYDRUS graphical user interface (GUI). Several nonstandard add-on modules, such as Overland, Isotope, and Centrifuge, have also been developed, but are not fully supported by the HYDRUS GUI. The objective of this manuscript is to describe several additional features of the upcoming Version 3 of HYDRUS (2D/3D), which was unveiled at a recent (March 2017) HYDRUS conference and workshop in Prague. The new features include a flexible reservoir boundary condition, expanded root growth features, and new graphical capabilities of the GUI. Mathematical descriptions of the new features are provided, as well as two examples illustrating applications of the reservoir boundary condition.

The study examines possible water savings by replacing alfalfa with winter wheat in the Fergana Valley, located upstream of the Syrdarya River in Central Asia. Agricultural reforms since the 1990s have promoted this change in cropping patterns in the Central Asian states to enhance food security and social benefits. The water use of alfalfa, winter wheat/fallow, and winter wheat/green gram (double cropping) systems is compared for high-deficit, low-deficit, and full irrigation scenarios using hydrological modeling with the HYDRUS-1D software package. Modeling results indicate that replacing alfalfa with winter wheat in the Fergana Valley released significant water resources, mainly by reducing productive crop transpiration when abandoning alfalfa in favor of alternative cropping systems. However, the winter wheat/fallow cropping system caused high evaporation losses from fallow land after harvesting of winter wheat. Double cropping (i.e., the cultivation of green gram as a short duration summer crop after winter wheat harvesting) reduced evaporation losses, enhanced crop output and hence food security, while generating water savings that make more water available for other productive uses. Beyond water savings, this paper also discusses the economic and social gains that double cropping produces for the public within a broader developmental context.

HPx is a multicomponent reactive transport model which uses HYDRUS as the flow and transport solver and PHREEQC-3 as the biogeochemical solver. Some recent adaptations have significantly increased the flexibility of the software for different environmental and engineering applications. This paper gives an overview of the most significant changes of HPx, such as coupling transport properties to geochemical state variables, gas diffusion, and transport in two and three dimensions. OpenMP allows for parallel computing using shared memory. Enhancements for scripting may eventually simplify input definitions and create possibilities for defining templates for generic (sub)problems. We included a discussion of root solute uptake and colloid-affected solute transport to show that most or all of the comprehensive features of HYDRUS can be extended with geochemical information. Finally, an example is used to demonstrate how HPx, and similar reactive transport models, can be helpful in implementing different factors relevant for soil organic matter dynamics in soils. HPx offers a unique framework to couple spatial-temporal variations in water contents, temperatures, and water fluxes, with dissolved organic matter and CO2 transport, as well as bioturbation processes.

Military training exercises can result in deposition of energetic residues on range soils, which ultimately can contaminate groundwater with munitions constituents. Column experiments followed by HYDRUS-1D modeling were conducted to evaluate dissolution and transport of energetic constituents from the new insensitive munitions (IM) formulations IMX-101, a mixture of 3-nitro-1,2,4-triazol-5-one (NTO), nitroguanidine (NQ), and 2, 4-dinitroanisole (DNAN), and IMX-104, a mixture of NTO, 1,3,5-hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and DNAN. NTO and DNAN are emerging contaminants associated with the development of insensitive munitions as replacements for traditional munitions. Flow interruption experiments were performed to investigate dissolution kinetics and sorption non-equilibrium between soil and solution phases. The results indicated that insensitive munitions compounds dissolved in order of their aqueous solubility, consistent with prior dissolution studies conducted in the absence of soil. Initial elution of the high concentration pulse of highly soluble NTO and NQ was followed by lower concentrations, while DNAN had generally lower and more constant concentrations in leachate. The sorption of NTO and NQ was low, while RDX, 1,3,5,7-octahydro-1,3,5,7-tetranitrotetrazocine (HMX, an impurity in technical grade RDX), and DNAN all exhibited appreciable sorption. DNAN transformation was observed, with formation of amino-reduction products 2-ANAN (2-amino-4-nitroanisole) and 4-ANAN (4-amino-2-nitroanisole). HYDRUS-1D model, incorporating one-dimensional advective-dispersive transport with particle dissolution and first-order solute transformation was used to simulate the measured breakthrough curves. Optimized dissolution parameters varied widely but were correlated between compounds in the same formulation. Determined adsorption coefficients generally agreed with values determined from batch and column studies conducted with pure NTO and DNAN, while mass-loss rate coefficients were in better agreement with ones from batch than column studies possibly due to suppression of microbial transformation during elution of high concentrations of explosives. Even in the low organic matter soils selected in this study DNAN experienced significant retardation and transformation, indicating potential for its natural attenuation.