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A multiphase compositional model is applied to reproduce in detail, the dense nonaqueous phase liquid (DNAPL) saturations and aqueous-phase plume migration in a highly characterized, heterogeneous glaciofluvial aquifer and two alternate methods, novel transition probability/Markov chain approach (TP/MC) and the conventional variogram analysis by ordinary kriging are used to reconstruct the same. It was found that the TP/MC modeling method is more precise, powerful and preferable than the ordinary kriging for the reconstruction of DNAPL saturation patterns and dissolved-phase contaminant plumes.

Introduction Contamination of ground water by dense nonaqueous phase liquids (DNAPLs) is an environmental problem of major concern throughout the industrialized world. These nonaqueous phase chemicals are more dense than [...]

Purpose: The purpose of this study is to introduce a new numerical scheme with no stability condition and high-order accuracy for the solution of two-dimensional coupled groundwater flow and transport simulation problems with regular and irregular geometries and compare the results with widely acceptable programs such as Modular Three-Dimensional Finite-Difference Ground-Water Flow Model (MODFLOW) and Modular Three-Dimensional Multispecies Transport Model (MT3DMS). Design/methodology/approach: The newly proposed numerical scheme is based on the method of lines (MOL) approach and uses high-order approximations both in space and time. Quintic B-spline (QBS) functions are used in space to transform partial differential equations, representing the relevant physical phenomena in the system of ordinary differential equations. Then this system is solved with the DOPRI5 algorithm that requires no stability condition. The obtained results are compared with the results of the MODFLOW and MT3DMS programs to verify the accuracy of the proposed scheme. Findings: The results indicate that the proposed numerical scheme can successfully simulate the two-dimensional coupled groundwater flow and transport problems with complex geometry and parameter structures. All the results are in good agreement with the reference solutions. Originality/value: To the best of the authors' knowledge, the QBS-DOPRI5 method is used for the first time for solving two-dimensional coupled groundwater flow and transport problems with complex geometries and can be extended to high-dimensional problems. In the future, considering the success of the proposed numerical scheme, it can be used successfully for the identification of groundwater contaminant source characteristics. [ABSTRACT FROM AUTHOR]

As a geological barrier for high-level radioactive waste (HLW) disposal in China, granite is crucial for blocking nuclide migration into the biosphere. However, the high uncertainty associated with the 3D geological system, such as the stochastic discrete fracture networks in granite, significantly impedes practical safety assessments of HLW disposal. This study proposes a Monte Carlo simulation (MCS)-based simulation framework for evaluating the long-term barrier performance of nuclide migration in fractured rocks. Statistical data on fracture geometric parameters, on-site hydrogeological conditions, and relevant migration parameters are obtained from a research site in Northwestern China. The simulation models consider the migration of three key nuclides, Cs-135, Se-79, and Zr-93, in fractured granite, with mechanisms including adsorption, advection, diffusion, dispersion, and decay considered as factors. Subsequently, sixty MCS realizations are performed to conduct a sensitivity analysis using the open-source software OpenGeoSys-5 (OGS-5). The results reveal the maximum and minimum values of the nuclide breakthrough time Tt (12,000 and 3600 years, respectively) and the maximum and minimum values of the nuclide breakthrough concentration Cmax (4.26 × 10−4 mSv/a and 2.64 × 10−5 mSv/a, respectively). These significant differences underscore the significant effect of the uncertainty in the discrete fracture network model on long-term barrier performance. After the failure of the waste tank (1000 years), nuclides are estimated to reach the outlet boundary 6480 years later. The individual effective dose in the biosphere initially increases and then decreases, reaching a peak value of Cmax = 4.26 × 10−4 mSv/a around 350,000 years, which is below the critical dose of 0.01 mSv/a. These sensitivity analysis results concerning nuclide migration in discrete fractured granite can enhance the simulation and prediction accuracy for risk evaluation of HLW disposal. [ABSTRACT FROM AUTHOR]

Accurately characterizing rainfall runoff processes in plain farmland, especially at the plot scale with significant micro-topographic features, has presented challenges. Integrated surface–subsurface flow models with high-precision surface flow modules are appropriate tools, yet open-source versions are rare. To address this gap, we proposed an open-source integrated surface–subsurface flow model called the FullSWOF-Plain model, in which the one-dimensional subsurface module Hydrus-1D was integrated with a modified two-dimensional surface water flow module (FullSWOF-2D) using the sequential head method. Various experimental scenarios were simulated to validate the model's performance, including two outflow cases (i.e., 1D and 2D) without infiltration, a classical one-dimensional infiltration case, and two typical rainfall events at the experimental field. The results demonstrate the accuracy of this proposed model, with the Nash–Sutcliffe efficiency (NSE) of the simulated discharge exceeding 0.90 in the experimental field case and the root mean squared error (RMSE) values for soil moisture at five depths consistently below 0.03 cm3/cm3. However, we observed a lag in the simulated response time of soil moisture due to the neglect of preferential flow. The micro-topography significantly influenced ponding time and ponding areas. Lower local terrain normally experienced earlier surface ponding. Scattered surface ponding water first occurred in the ditch and followed in the relatively low areas in the main field. The concentration process of surface runoff exhibited hierarchical characteristics, with the drainage ditch contributing the most discharge initially, followed by the connection of scattered puddles in the main field, draining excess surface water to the ditch through rills. This quantitative study sheds light on the impact of micro-topography on surface runoff in plain farmland areas. [ABSTRACT FROM AUTHOR]

Featured Application: This paper helps to summarize the most relevant information on reactive transport models used to simulate the transport of hydrocarbons. The authors hope that this paper will be very useful for future modelers, stakeholders, and scientists, and will help them to select the most appropriate tools or to create new models. The pollution of groundwater and soil by hydrocarbons is a significant and growing global problem. Efforts to mitigate and minimise pollution risks are often based on modelling. Modelling-based solutions for prediction and control play a critical role in preserving dwindling water resources and facilitating remediation. The objectives of this article are to: (i) to provide a concise overview of the mechanisms that influence the migration of hydrocarbons in groundwater and to improve the understanding of the processes that affect contamination levels, (ii) to compile the most commonly used models to simulate the migration and fate of hydrocarbons in the subsurface; and (iii) to evaluate these solutions in terms of their functionality, limitations, and requirements. The aim of this article is to enable potential users to make an informed decision regarding the modelling approaches (deterministic, stochastic, and hybrid) and to match their expectations with the characteristics of the models. The review of 11 1D screening models, 18 deterministic models, 7 stochastic tools, and machine learning experiments aimed at modelling hydrocarbon migration in the subsurface should provide a solid basis for understanding the capabilities of each method and their potential applications. [ABSTRACT FROM AUTHOR]

Microplastics (MPs), defined as plastic particles measuring less than 5 mm, are considered an emerging pollutant. Their presence in the water cycle and their interaction with ecological processes pose a significant environmental threat. As groundwater (GW) represents the primary source of drinking water, monitoring MPs in GW and investigating their potential sources and pathways is of urgent importance. This article offers a comprehensive overview of the primary contamination pathways of MPs from surface water, seawater, and soil into the GW. Moreover, it presents an examination of the occurrence of MPs in GW and identifies the challenges associated with their monitoring in GW. This study also discusses the difficulties associated with comparing research results related to MPs in GW, as well as indicating the need for implementing standardised techniques for their sampling and detection. On the basis of our experience and the literature review, we highlight the importance of understanding the specific hydrogeological and hydrogeographic conditions, collecting representative samples, using sampling devices with comparable specifications and comparable laboratory techniques for MP identification, and preventing contamination at all stages of the monitoring process. This review offers valuable insights and practical guidelines on how to improve the reliability and comparability of results between studies monitoring MPs in GW. [ABSTRACT FROM AUTHOR]

The efficient management and remediation of contaminated fractured aquifers necessitate an accurate prediction of the spatial distribution of contaminant concentration within the system. Related existing analytical solutions are only applicable to single fractures and have not yet been extrapolated to the aquifer scale where a network of connected fractures exists. The Random Walk Particle Tracking (RWPT) method has been extensively adopted for concentration mapping in Discrete Fracture Networks (DFNs), albeit at exorbitant computational costs and without efficiently accommodating complex physical processes (e.g., two-site kinetics). This study introduces an analytically enhanced Spatiotemporal Random Walk (STRW) approach that facilitates the efficient time-dependent mapping of contaminant concentration in DFNs. The STRW approach employs a distribution function to simultaneously estimate the displacement of particles released through the system either instantaneously or over time. The STRW approach efficiently reproduced the contaminant concentration, calculated using available analytical solutions under a range of fate and transport mechanisms. The efficacy of the STRW approach is also confirmed in a synthetic impermeable DFN through replicating the concentration maps produced using the RWPT method. The developed approach represents an accurate and computationally efficient dynamic concentration mapping technique that can support the effective operation, management, and remediation of fractured aquifers under contamination events. [ABSTRACT FROM AUTHOR]

One of the modern, recently developed mathematical approaches for modeling various complex chaotic processes (the bacteria migration is apparently one of them), is the application of fractional differential equations. Introduction of fractional derivatives is also a very effective approach for investigation of the reactive processes (growth of bacteria in our case). Our recent advances in application of fractional differential equations for modeling the anomalous transport of reactive and non-reactive contaminants (see our recent publications in the References) allow us to expect that the anomalous transport of growing bacteria can also be effectively described by the models with fractional derivatives. Based on these modern approaches, utilizing fractional differential equations, in this paper we developed a reliable mathematical model that could be properly calibrated and, consequently, provide an adequate description of the growing bacteria transport. This model accounts for the memory effects in the bacteria transport due to the random character of bacteria trapping and release by the porous matrix. Two types of bacteria in the saturated porous medium are considered: mobile and immobile bacteria. Bacteria in the mobile phase are migrating in the fluid and have the velocity of the bulk flow, whereas bacteria in the immobile phase are the bacteria that are captured by the porous matrix. These bacteria have zero velocity and can cause clogging of some pores (therefore, porosity is possibly not constant). Examining different conventional models and comparing computations based on these models, we show that this extremely complex character of bacteria transport cannot be described by the traditional approach based on classical partial differential equations. In this paper we suggest fractional differential equations as a simple but very effective tool that can be used for constructing the proper model capable of simulating all the above-mentioned effects associated with migration of alive bacteria. Using this approach, a reliable model of the growing bacteria transport in the porous medium is developed and validated by comparison with experimental laboratory results. We proved that this novel model can be properly linearized and calibrated, so that an excellent agreement with available experimental results can be achieved. This simple model can be used in many applications, for example, as a part of more general mathematical models for predicting the outcomes of the bioremediation of contaminated soils. [ABSTRACT FROM AUTHOR]

The soil freezing characteristic curve (SFCC) describes the relationship between the freezing point and unfrozen water content, which are two critical parameters in depicting the heat, solute, and water transport in frozen soil. In this paper, we propose a novel Generalized Clapeyron Equation (GCE)-based model, the GCE-Salt Model, to better capture the SFCC in frozen soil in the presence of solute. It keeps the matric potential Ψf in the GCE as its original meaning and incorporates the effect of solute potential in the equilibrium freezing temperature. The performance of our GCE-Salt Model was validated by both lab and field experimental data and compared with related models (Combined Model and GCE-Tan Model). The GCE-Salt Model performed exceptionally well in extremely saline soil and it performed well in both non-saline and saline soil. (1) Our GCE-Salt Model could capture the SFCC of non-saline soil equally as well as the Combined Model (NSE = 0.866); (2) our GCE-Salt Model performed similarly well as the Combined Model and a little better than the GCE-Tan Model for the slightly to highly saline soil (NSE ≥ 0.80 for three models); and (3) our GCE-Salt Model (NSE = 0.919) beat the Combined Model (NSE = 0.863) and the GCE-Tan Model (NSE = 0.62) in capturing the SFCC of extremely saline soil, mainly because the inherent expression of our GCE-Salt Model can more accurately capture the freezing point. Our findings highlight the effect of solute potential on the ice–water change and could improve the understanding of the effect of freezing and thawing on the thermal–hydrological processes, structure of saline soil, and landscape evolution in cold regions. [ABSTRACT FROM AUTHOR]

Groundwater and surface water systems (GW-SW) are interconnected in most landscapes and climates, and the interactions between them, known as GW-SW interactions, are spatially and temporally dynamic and characterized by significant uncertainty. Understanding and characterizing these interactions are crucial for effective water resource management. In recent decades, there has been considerable attention and progress in addressing GW-SW interaction problems. The integration of surface and subsurface water modeling has emerged as a practical approach to simulate GW-SW interactions and inform the development of best management practices (BMPs) for water resource management. To effectively simulate GW-SW interactions, a clear understanding of coupling techniques is essential. This study reviews various integrated modeling approaches applied to simulate GW-SW interactions in water resources management. The identified gaps in GW-SW interaction modeling approaches are categorized into three groups: 1) physically based models, 2) surrogate-based models, and 3) simulation-based optimization models. The objective of this study is to make a contribution to the classification of integrated modeling approaches and provide insights into the advantages and limitations of different techniques. Ultimately, this research aims to establish a standard for selecting an appropriate simulation tool for GW-SW management based on specific limitations and requirements. [ABSTRACT FROM AUTHOR]