Applying a Regional Transport Modeling Framework to Manage Nitrate Contamination of Groundwater

Regional nitrate contamination in groundwater is a management challenge involving multisector benefits. There is always conflict between restricting anthropogenic activities to protect groundwater quality and prioritizing economic development, especially in productive agriculture dominated areas. To mitigate the nitrate contamination in groundwater, it is necessary to develop management alternatives that simultaneously support environmental protection and sustainable economic development. A regional transport modeling framework is applied to evaluate nitrate fate and transport in the Dagu Aquifer, a shallow sandy aquifer that supplies drinking water and irrigation water for a thriving agricultural economy in Shandong Province in east coastal China. The aquifer supports intensive high-value vegetable farms and nitrate contamination is extensive. Detailed land-use information and fertilizer use data were compiled and statistical approaches were employed to analyze nitrogen source loadings and the spatiotemporal distribution of nitrate in groundwater to support model construction and calibration. The evaluations reveal that the spatial distribution and temporal trends of nitrate contamination in the Dagu Aquifer are driven by intensive fertilization and vertical water exchange, the dominant flow pattern derived from intensive agricultural pumping and irrigation. The modeling framework is employed to assess the effectiveness of potentially applicable management alternatives. The predictive results provide quantitative comparisons for the trend and extent of groundwater quality mitigation under each scenario. Recommendations are made for measures that can both improve groundwater quality and sustain productive agricultural development.     

Modeling Variably Saturated Multispecies Reactive Groundwater Solute Transport with MODFLOW‐UZF and RT3D

A numerical model was developed that is capable of simulating multispecies reactive solute transport in variably saturated porous media. This model consists of a modified version of the reactive transport model RT3D (Reactive Transport in 3 Dimensions) that is linked to the Unsaturated‐Zone Flow (UZF1) package and MODFLOW. Referred to as UZF‐RT3D, the model is tested against published analytical benchmarks as well as other published contaminant transport models, including HYDRUS‐1D, VS2DT, and SUTRA, and the coupled flow and transport modeling system of CATHY and TRAN3D. Comparisons in one‐dimensional, two‐dimensional, and three‐dimensional variably saturated systems are explored. While several test cases are included to verify the correct implementation of variably saturated transport in UZF‐RT3D, other cases are included to demonstrate the usefulness of the code in terms of model run‐time and handling the reaction kinetics of multiple interacting species in variably saturated subsurface systems. As UZF1 relies on a kinematic‐wave approximation for unsaturated flow that neglects the diffusive terms in Richards equation, UZF‐RT3D can be used for large‐scale aquifer systems for which the UZF1 formulation is reasonable, that is, capillary‐pressure gradients can be neglected and soil parameters can be treated as homogeneous. Decreased model run‐time and the ability to include site‐specific chemical species and chemical reactions make UZF‐RT3D an attractive model for efficient simulation of multispecies reactive transport in variably saturated large‐scale subsurface systems.     

Coupled Surface and Groundwater Hydrological Modeling in a Changing Climate

Many current watershed modeling efforts now incorporate surface water and groundwater for managing water resources since the exchanges between groundwater and surface water need a special focus considering the changing climate. The influence of groundwater dynamics on water and energy balance components is investigated in the Snake River Basin (SRB) by coupling the Variable Infiltration Capacity (VIC) and MODFLOW models (VIC‐MF) for the period of 1986 through 2042. A 4.4% increase in base flows and a 10.3% decrease in peak flows are estimated by VIC‐MF compared to the VIC model in SRB. The VIC‐MF model shows significant improvement in the streamflow simulation (Nash‐Sutcliffe efficiency [NSE] of 0.84) at King Hill, where the VIC model could not capture the effect of spring discharge in the streamflow simulation (NSE of ?0.30); however, the streamflow estimates show an overall decreasing trend. Two climate scenarios representing median and high radiative‐forcings such as representative concentration pathways 4.5 and 8.5 show an average increase in the water table elevations between 2.1 and 2.6 m (6.9 and 8.5 feet) through the year 2042. The spatial patterns of these exchanges show a higher groundwater elevation of 15 m (50 feet) in the downstream area and a lower elevation of up to 3 m (10 feet) in the upstream area. Broadly, this study supports results of previous work demonstrating that integrated assessment of groundwater‐surface water enables stakeholders to balance pumping, recharge and base flow needs and to manage the watersheds that are subjected to human pressures more sustainably.     

Reactive Transport Modeling of ZVI Column Experiments for Nickel Remediation

MIN3P, a multicomponent reactive transport model for variably saturated porous media, is used to simulate the outputs of column tests carried out using zero valent iron (ZVI) for nickel contaminated groundwater remediation. The objective of this study is to investigate the main chemical reactions involved in contaminant removal and the main causes of the reactivity decline of ZVI over time. According to the results of the model the major causes of ZVI reactivity loss is identified in the mineral precipitation of α‐FeOOH on iron surface that probably caused ZVI passivation and led to a decline of the electron transfer rate. An existing empirical relationship between mineral precipitation and the reactivity loss of ZVI, included in the model, reproduced the changes in nickel removal observed during different laboratory column tests.     

A Coupled Groundwater–Surface Water Modeling Framework for Simulating Transition Zone Processes

There is an identified need for fully representing groundwater–surface water transition zone (i.e., the sediment zone that connects groundwater and surface water) processes in modeling fate and transport of contaminants to assist with management of contaminated sediments. Most existing groundwater and surface water fate and transport models are not dynamically linked and do not consider transition zone processes such as bioturbation and deposition and erosion of sediments. An interface module is developed herein to holistically simulate the fate and transport by coupling two commonly used models, Environmental Fluid Dynamics Code (EFDC) and SEAWAT, to simulate surface water and groundwater hydrodynamics, while providing an enhanced representation of the processes in the transition zone. Transition zone and surface water contaminant processes were represented through an enhanced version of the EFDC model, AQFATE. AQFATE also includes SEDZLJ, a state‐of‐the‐science surface water sediment transport model. The modeling framework was tested on a published test problem and applied to evaluate field‐scale two‐ and three‐dimensional contaminant transport. The model accurately simulated concentrations of salinity from a published test case. For the field‐scale applications, the model showed excellent mass balance closure for the transition zone and provided accurate simulations of all transition zone processes represented in the modeling framework. The model predictions for the two‐dimensional field case were consistent with site‐specific observations of contaminant migration. This modeling framework represents advancement in the simulation of transition zone processes and can help inform risk assessment at sites where contaminant sources from upland areas have the potential to impact sediments and surface water.     

Methods and Results of Numerical Modeling of Reactive Solute Transport in River Flow

The equation of advection–diffusion transport of a reactive solute in a stream is solved by different methods. Procedures for evaluating the parameters of a four-node finite-difference approximation used to numerically integrate this equation are proposed. Numerical experiments based on the developed numerical procedures, software, and models of solute transport allowed, in particular, the evaluation of the sensitivity of pollutant concentration estimates to variations in the parameters of interaction processes and hydrodynamic dispersion for a lowland river.     

A Hierarchical Bayesian Model Averaging Framework for Groundwater Prediction under Uncertainty

Groundwater prediction models are subjected to various sources of uncertainty. This study introduces a hierarchical Bayesian model averaging (HBMA) method to segregate and prioritize sources of uncertainty in a hierarchical structure and conduct BMA for concentration prediction. A BMA tree of models is developed to understand the impact of individual sources of uncertainty and uncertainty propagation to model predictions. HBMA evaluates the relative importance of different modeling propositions at each level in the BMA tree of model weights. The HBMA method is applied to chloride concentration prediction for the “1,500‐foot” sand of the Baton Rouge area, Louisiana from 2005 to 2029. The groundwater head data from 1990 to 2004 is used for model calibration. Four sources of uncertainty are considered and resulted in 180 flow and transport models for concentration prediction. The results show that prediction variances of concentration from uncertain model elements are much higher than the prediction variance from uncertain model parameters. The HBMA method is able to quantify the contributions of individual sources of uncertainty to the total uncertainty.     

A Practical Modeling Framework for Non‐Fickian Transport and Multi‐Species Sequential First‐Order Reaction

Many studies indicate that small‐scale heterogeneity and/or mobile–immobile mass exchange produce transient non‐Fickian plume behavior that is not well captured by the use of the standard, deterministic advection‐dispersion equation (ADE). An extended ADE modeling framework is presented here that is based on continuous time random walk theory. It can be used to characterize non‐Fickian transport coupled with simultaneous sequential first‐order reactions (e.g., biodegradation or radioactive decay) for multiple degrading contaminants such as chlorinated solvents, royal demolition explosive, pesticides, and radionuclides. To demonstrate this modeling framework, new transient analytical solutions are derived and are inverted in Laplace space. Closed‐form, steady‐state, multi‐species analytical solutions are also derived for non‐Fickian transport in highly heterogeneous aquifers with linear sorption–desorption and matrix diffusion for use in spreadsheets. The solutions are general enough to allow different degradation rates for the mobile and immobile zones. The transient solutions for multi‐species transport are applied to examine the effects of source remediation on the natural attenuation of downgradient plumes of both parent and degradation products in highly heterogeneous aquifers. Results for representative settings show that the use of the standard, deterministic ADE can over‐estimate cleanup rates and under‐predict the cleanup timeframe in comparison to the extended ADE analytical model. The modeling framework and calculations introduced here are also applied for a 30 year groundwater cleanup program at a site in Palm Bay, Florida. The simulated plume concentrations using the extended ADE exhibited agreement with observed long concentration tails of trichloroethene, cis 1,2 DCE, and VC that remained above cleanup goals.     

The New Potential for Understanding Groundwater Contaminant Transport

The groundwater remediation field has been changing constantly since it first emerged in the 1970s. The remediation field has evolved from a dissolved‐phase centric conceptual model to a DNAPL‐dominated one, which is now being questioned due to a renewed appreciation of matrix diffusion effects on remediation. Detailed observations about contaminant transport have emerged from the remediation field, and challenge the validity of one of the mainstays of the groundwater solute transport modeling world: the concept of mechanical dispersion (Payne et al. 2008). We review and discuss how a new conceptual model of contaminant transport based on diffusion (the usurper) may topple the well‐established position of mechanical dispersion (the status quo) that is commonly used in almost every groundwater contaminant transport model, and evaluate the status of existing models and modeling studies that were conducted using advection‐dispersion models.     

Removal of Volatile Organic Compounds in Vertical Flow Filters: Predictions from Reactive Transport Modeling

Vertical flow filters are containers filled with porous medium that are recharged from top and drained at the bottom, and are operated at partly saturated conditions. They have recently been suggested as treatment technology for groundwater containing volatile organic compounds (VOCs). Numerical reactive transport simulations were performed to investigate the relevance of different filter operation modes on biodegradation and/or volatilization of the contaminants and to evaluate the potential limitation of such remediation mean due to volatile emissions. On the basis of the data from a pilot‐scale vertical flow filter intermittently fed with domestic waste water, model predictions on the system’s performance for the treatment of contaminated groundwater were derived. These simulations considered the transport and aerobic degradation of ammonium and two VOCs, benzene and methyl tertiary butyl ether (MTBE). In addition, the advective‐diffusive gas‐phase transport of volatile compounds as well as oxygen was simulated. Model predictions addressed the influence of depth and frequency of the intermittent groundwater injection, degradation rate kinetics, and the composition of the filter material. Simulation results show that for unfavorable operation conditions significant VOC emissions have to be considered and that operation modes limiting VOC emissions may limit aerobic biodegradation. However, a suitable combination of injection depth and composition of the filter material does facilitate high biodegradation rates while only little VOC emissions take place. Using such optimized operation modes would allow using vertical flow filter systems as remediation technology suitable for groundwater contaminated with volatile compounds.     

Screening for Heat Transport by Groundwater in Closed Geothermal Systems

Heat transfer due to groundwater flow can significantly affect closed geothermal systems. Here, a screening method is developed, based on Peclet numbers for these systems and Darcy's law. Conduction‐only conditions should not be expected where specific discharges exceed 10^?8 m/s. Constraints on hydraulic gradients allow for preliminary screening for advection based on rock or soil types. Identification of materials with very low hydraulic conductivity, such as shale and intact igneous and metamorphic rock, allow for analysis with considering conduction only. Variability in known hydraulic conductivity allows for the possibility of advection in most other rocks and soil types. Further screening relies on refinement of estimates of hydraulic gradients and hydraulic conductivity through site investigations and modeling until the presence or absence of conduction can be confirmed.     

一种浅水湖耦合模式系统的发展与应用

Growing developments in lake basins in China, have adversely affected, the water quality of lake, in particular, the water bodies of many famous shallow lake are seriously polluted in recent years. Some projects have been built up to improve the water quality, for example, the sewage interception project (i.e. Xiyuan tunnel project) and four sewage treatment plants etc. have been built up in Dianchi Lake. In order to predict and evaluate the effects of projects on the water quality, it is necessary to develop a coupled model system, which should mainly include wind, circulation and water quality parameters. This paper describes the development and application of a coupled modeling system in a shallow lake, which include a 3D micro-meteorology model (3DMM), a 2D hydrodynamic model (2DHM) and a 2D water quality model(2DWM).The coupled modeling system has been applied to predict the ejfects of environmental protection projects on water quality in Dianchi Lake.     

Modification of the DRASTIC Framework for Mapping Groundwater Vulnerability Zones

The DRASTIC technique is commonly used to assess groundwater vulnerability. The main disadvantage of the DRASTIC method is the difficulty associated with identifying appropriate ratings and weight assignments for each parameter. To mitigate this issue, ratings and weights can be approximated using different methods appropriate to the conditions of the study area. In this study, different linear (i.e., Wilcoxon test and statistical approaches) and nonlinear (Genetic algorithm [GA]) modifications for calibration of the DRASTIC framework using nitrate (NO₃) concentrations were compared through the preparation of groundwater vulnerability maps of the Meshqin-Shahr plain, Iran. Twenty-two groundwater samples were collected from wells in the study area, and their respective NO₃ concentrations were used to modify the ratings and weights of the DRASTIC parameters. The areas found to have the highest vulnerability were in the eastern, central, and western regions of the plain. Results showed that the modified DRASTIC frameworks performed well, compared to the unmodified DRASTIC. When measured NO₃ concentrations were correlated with the vulnerability indices produced by each method, the unmodified DRASTIC method performed most poorly, and the Wilcoxon–GA–DRASTIC method proved optimal. Compared to the unmodified DRASTIC method with an R² of 0.22, the Wilcoxon–GA–DRASTIC obtained a maximum R² value of 0.78. Modification of DRASTIC parameter ratings was found to be more efficient than the modification of the weights in establishing an accurately calibrated DRASTIC framework. However, modification of parameter ratings and weights together increased the R² value to the highest degree.