Transport of dissolved methoxy-nonafluorobutane through a saturated column

Solute transport experiments were conducted in a one-dimensional saturated column using dissolved methoxy-nonafluorobutane (HFE-7100), a Novec engineered fluid developed by the 3M Corporation, as the solute. Novec engineered fluids are considered dense non-aqueous phase liquids (DNAPLs) because they are immiscible with water and have a specific gravity greater than one. The HFE-7100 fluid is safer and environmentally friendlier than common DNAPL contaminants such as tetrachloroethylene (PCE) or trichloroethylene (TCE); thus, it is an ideal substitute DNAPL for laboratory groundwater contamination research. Three sets of solute transport experiments were conducted. The first set of experiments was conducted in a glass-bead-packed column using dissolved HFE-7100 as the solute. The second set of experiments was conducted in a sand-packed column using dissolved HFE-7100 as the solute. The third set of experiments was conducted in a sand-packed column using dissolved PCE as the solute. The dissolved HFE-7100 column breakthrough concentrations were compared with dissolved PCE breakthrough concentrations. Results show that the one-dimensional solute transport equation was successful in describing the transport behavior of dissolved HFE-7100. This study demonstrates that the HFE-7100 fluid can be used as a safer substitute DNAPL for groundwater contaminant dissolution and transport research.     

Modelling coupled heat and contaminant transport in groundwater

This paper presents the results of a research programme conducted on the geotechnical centrifuge at The University of Western Australia to investigate coupled heat and contaminant transport in the soil surrounding a buried waste source. The phenomena which govern heat and contaminant transport through porous media are discussed, the principles of geotechnical centrifuge modelling are outlined, and relevant scaling laws that govern the relationship between a centrifuge model and the prototype, with respect to the problem of coupled waste transport, are presented. A model test, simulating two-dimensional migration from a buried heat and contaminant source, is described, and the results from four model tests are presented. The experimental data show that hydraulic instability is responsible for the transport of contaminant in the soil around the source and that the mode of instability is determined by the magnitude of the effective Rayleigh number.     

渗透作用下多孔介质中循环浓度污染物的迁移过程研究

根据饱和多孔介质中考虑释放效应的一维渗透作用的可溶性污染物的迁移控制方程,通过Laplace变换和Fourier变换及其逆变换求得相应的通解形式。根据半无限体表面可溶性污染物点源注入情形下的基本解,通过积分方法得到半无限体表面圆形区域上作用循环浓度污染物后,在多孔介质内部污染物迁移过程的求解方法。作为一个典型算例,对渗透作用下循环浓度污染源引起的多孔介质中的迁移过程进行分析。算例表明,当污染源浓度为周期变化时,多孔介质内部污染物的浓度随时间增长由不稳定的周期变化过程逐渐过渡到稳定的循环过程,而某一深度处污染物浓度的相位则相应滞后。此时,稳定后的污染物浓度周期与污染源浓度周期相同。实际上,随多孔介质表面污染源浓度的周期变化,在靠近多孔介质表面一定深度范围内的污染物浓度在深度方向也呈增大或减小的交替变化过程。另一方面,在污染源循环变化过程中污染物不断向深处推进,而最终其影响范围限定在某一深度内。     

考虑土体固结变形的污染物运移模型

土体的固结压缩变形对污染物的运移具有重要的影响,而目前国内关于污染物在变形多孔介质中运移规律的研究尚处于空白,在国外也是近几年才有人开始这方面的研究工作。在Biot固结理论和污染物运移理论相结合的基础上,提出了污染物在黏土防渗层中迁移转化的一维数学模型,该模型的最大特点是考虑了土体受力变形对污染物运移的影响,在合理简化的基础上给出了模型的解析解,并将计算结果与太湖疏浚污染底泥堆场的实测结果进行了比较分析,模拟计算的结果在一定程度上能够反映实际土层中污染物的运移情况。     

Seasonal cycling of estuarine sediment and contaminant transport

The seasonal cycling of fine sediment in the upper reaches of a hypothetical macrotidal estuary and its possible consequences for the behaviour of a contaminant which partitions between dissolved and particulate forms are investigated theoretically. The simplest one-dimensional models are used as a starting point for future studies: (a) a within-tide hydrodynamic (tidal) model, (b) an associated sediment transport model and (c) a tidally-averaged contaminant dispersal model. The calculations are made for a four-year period and show that a cyclic migration of mobile sediment occurs in the upper reaches of the estuary. Sediment accumulates during spring to late summer, and is redistributed in the lower estuary during high runoff periods (autumn and winter). For a fluvial input of contaminant, the dissolved contaminant levels during summer are greatly depressed below conservative mixing values in the upper (turbidity maximum) region, whereas they are slightly enhanced in the lower reaches. During winter, the levels are substantially greater than conservative values except for a slight depression at very low salinities. Thus, sediment here acts as a source of contaminant for most of the salinity range. For a marine input of contaminant, levels are enhanced above the conservative mixing line at low salinities throughout the year, the effect being much larger during summer.     

非平衡-非线性吸附情况下填埋场污染物运移分析

采用Langmuir等温吸附线方程描述非线性吸附性能, 基于改进的混合元方法，通过数值计算与分析，探讨了非平衡吸附条件下污染物运移过程及其机理。计算结果表明: 当考虑非平衡、非线性吸附性能时, 污染物穿透曲线即浓度的时程变化曲线尖锐而狭窄、峰值点前移, “拖长尾”现象不明显, 由此说明，土颗粒对污染物的非平衡、非线性吸附使得污染物的穿透能力增强, 滞留能力下降。进一步的变动参数比较分析表明：Langmuir等温线方程中的参数B、压实粘土衬里的渗透性及地下水渗流速度对污染物运移过程具有显著的影响。     

A mass transfer model of bauxite formation

The formation of bauxite due to weathering of a granitic protolith has been simulated by means of a one-dimensional flow and reaction model based on the mass transfer principle. The model couples mineral dissolution and precipitation reactions, speciation in solution, and advective solute transport in a porous medium. A very important aspect of the modeling study is the use of mineral reaction rates determined experimentally in the laboratory. The important effects of solution saturation state and pH have been incorporated into the kinetic rate laws governing the heterogeneous reactions. The values of these parameters have been obtained from the scientific literature to guarantee that realistic reaction rates are used in the simulations. Albite and quartz are the minerals that make up the parent rock in the model. Gibbsite, kaolinite, and a Na-mica (as a surrogate for smectite) are the secondary minerals that have been taken into account. Long-term simulations (>1 Ma) have been run, and the formation of a bauxitic profile, with an upper gibbsite-rich and a lower kaolinite-rich zone, is predicted. In early stages of the process (up to a few hundreds of thousands of years), both gibbsite and kaolinite precipitate directly from solution as a consequence of albite dissolution. In later stages, the bulk of gibbsite precipitation derives from the incongruent dissolution of kaolinite, while kaolinite precipitation is still caused by the dissolution of albite. This is also reflected by the formation of two reaction fronts in the profile. These results are compared with weathering sequences from the Los Pijiguaos bauxite deposit, Venezuela. The overlap between the gibbsite and kaolinite zones and the replacement of kaolinite by gibbsite are consistent with model calculations. Mechanical denudation has to be called upon to explain the limited thicknesses of the weathering profiles in the field. The role of mechanical erosion is supported by the presence of microsedimentary structures in the bauxite and the balance between dissolved and suspended loads in the streams draining the area.     

Numerical modelling of transient contaminant migration problems in infinite porous fractured media using finite/infinite element technique. Part II: Parametric study

Using the numerical model presented in the first paper of this research,¹ a parametric study has been carried out in this paper to investigate the effect of several important parameters on the transient contaminant transport in infinite porous fractured media. From the related numerical results, it has been demonstrated that: (1) transmissive coefficient between the porous block and the fissured network has a significant influence on the value of the concentration but has little effect on the speed of contaminant transport; (2) porosities in the porous block and fissured network have a significant influence on the maximum value of the concentration; (3) average linear velocity of flow has a significant influence on both the concentration distribution and speed of contaminant transport; (4) dispersion coefficient of the medium affects not only the shape of the concentration versus time curve but also the peak value of the concentration.     

一种用于突发性场地污染模拟的解析模型

为了及时有效地应对各种突发性环境污染事故,有必要开发一种简单实用、适于各类型污染物的场地污染数学模型。通过污染事故发生后污染物在包气带、饱和带迁移转化的概化,建立了污染物运移的自由入渗模型以及降雨入渗模型并给出各自相应的解析解。无降雨时,考虑污染物在重力作用下随包气带向下渗透的作用,建立一维垂直入渗模型。有降雨时,考虑污染场地（包气带）中污染物迁移和转化的对流作用、扩散作用及挥发、生物降解、吸附、根系吸收等作用,建立包气带剖面二维溶质运移模型和饱和带平面二维溶质运移数学模型。建模过程中,假定降雨量的平均分布及土壤质地、水力参数以及有机物成分、种类均相同,同时假定污染物与多孔介质间的作用为线性吸附,植物根系对污染物的吸附遵循一级动力学。基于模型的解析解,实现案例的模拟计算。模拟结果表明：该模型具有适用范围广、模拟高效快捷等优点,能够较准确预测污染发生后污染物在土壤中的动向、到达饱和带的时间以及饱和带中污染物的迁移情况。     

Dynamics of MTBE-degrading activity in porous media using a large-scale laboratory experiment

Methyl tert-butyl ether (MTBE) is an oxygenated organic compound that tends to form large groundwater contamination plumes. If bioaugmentation is used as a remediation technique, the question of the mobility of the bioactive zone (BAZ) with time is of interest. The objective of this experiment was to study the spatial redistribution of MTBE-biodegradation activity through time, following the injection of a bacterial culture in a homogeneous porous media, at high pressures and concentrations. The experiment was performed using a large-scale aquifer physical model, which can incorporate physicochemical heterogeneities similar to those found in the field, under controlled laboratory conditions. The experimental tank was filled with 1.0-mm-diameter glass beads to represent a homogeneous high hydraulic conductivity porous medium. During inoculation, the bacterial culture was distributed in a circular pattern. Initially it appeared that the BAZ was located in the upstream portion of the inoculated zone, where oxygen was available in conjunction with the inoculated bacteria and MTBE. With time, the BAZ moved upgradient through the whole tank towards the inlet. This implies the successful movement of bacteria from the inoculation area against advective flow into previously sterile zones of the tank. A mass balance showed that dissolved oxygen concentrations were likely not a limiting factor during the experiments.     

Two‐scale modeling of solute dispersion in unsaturated double‐porosity media: Homogenization and experimental validation

A two‐scale modeling of solute transport in double‐porosity (DP) media under unsaturated water flow conditions is presented. The macroscopic model was developed by applying the asymptotic homogenization method. It is based on theoretical and empirical considerations dealing with the orders of magnitude of characteristic quantities involved in the process. For this purpose a physical model that mimics the behavior of DP medium was built. The resulting two‐equation model relies on a coupling exchange term between micro‐ and macro‐porosity subdomains associated with local non‐equilibrium solute concentrations. The model was numerically implemented (Comsol Multiphysics^®) to simulate the macroscopic one‐dimensional physical process taking place into the porous medium of 3D periodic microstructure. A series of dispersion experiments of NaCl solution under unsaturated steady‐state flow conditions were performed. The experimental results were used first to calibrate the dispersion coefficient of the model, and second to validate it through two other independent experiments. The excellent agreement between the numerical simulations and the measurements of the time evolution of the non‐symmetrical breakthrough curves provides a proof of predictive capacity of the developed model. Copyright © 2010 John Wiley & Sons, Ltd.     

One‐dimensional contaminant transport through a deforming porous medium: theory and a solution for a quasi‐steady‐state problem

Contaminant migration through soil is usually modelled mathematically using the dispersion–advection equation. This type of model finds application when planning the remediation of contaminated land, predicting the movement of polluted groundwater and designing engineered landfills. Usually the analysis assumes that the porous media through which the contaminant migrates is stationary. However, the construction of landfills on clay soils means that the soil beneath the landfill will undergo time‐dependent deformation as the soil consolidates. To date, there are no published data on the effect a deforming porous media may have on contaminant transport beneath a landfill; indeed, there appears to be no theory of contaminant migration through a deforming soil. In this paper, a one‐dimensional theory of contaminant migration through a saturated deforming porous media is developed based on a small and large strain analysis of a consolidating soil and conservation of contaminant mass. By selection of suitable parameters, the new transport equation reduces to the familiar one‐dimensional dispersion–advection equation for a saturated soil with linear, reversible, equilibrium controlled sorption of the contaminant onto the soil skeleton. Analytic solutions to a quasi‐steady‐state contaminant transport problem for a deforming media are presented, and a preliminary assessment made of the potential importance of soil deformation on the results of a contaminant migration analysis. Copyright © 2000 John Wiley & Sons, Ltd.     

Reactive Transport Modeling of Subaqueous Sediment Caps and Implications for the Long-Term Fate of Arsenic, Mercury, and Methylmercury

A 1-D biogeochemical reactive transport model with a full set of equilibrium and kinetic biogeochemical reactions was developed to simulate the fate and transport of arsenic and mercury in subaqueous sediment caps. Model simulations (50?years) were performed for freshwater and estuarine scenarios with an anaerobic porewater and either a diffusion-only or a diffusion plus 0.1-m/year upward advective flux through the cap. A biological habitat layer in the top 0.15?m of the cap was simulated with the addition of organic carbon. For arsenic, the generation of sulfate-reducing conditions limits the formation of iron oxide phases available for adsorption. As a result, subaqueous sediment caps may be relatively ineffective for mitigating contaminant arsenic migration when influent concentrations are high and sorption capacity is insufficient. For mercury, sulfate reduction promotes the precipitation of metacinnabar (HgS) below the habitat layer, and associated fluxes across the sediment–water interface are low. As such, cap thickness is a key design parameter that can be adjusted to control the depth below the sediment–water interface at which mercury sulfide precipitates. The highest dissolved methylmercury concentrations occur in the habitat layer in estuarine environments under conditions of advecting porewater, but the highest sediment concentrations are predicted to occur in freshwater environments due to sorption on sediment organic matter. Site-specific reactive transport simulations are a powerful tool for identifying the major controls on sediment- and porewater-contaminant arsenic and mercury concentrations that result from coupling between physical conditions and biologically mediated chemical reactions.     

基于孔隙网络模型的非水溶相液体运移实验研究进展

进行多孔介质中非水溶相液体（Non Aqueous Phase Liquids，NAPLs）运移的微观机理研究，微观孔隙网络模型实验是目前应用比较广泛且行之有效的方法。通过网络模型实验，获得对NAPLs在多孔介质中运移更深入的认识。从多孔介质孔隙结构测量、孔隙网络模型制作、NAPLs运移网络模型实验和数值模拟4个方面评述了该方向的研究进展，结果显示测量孔隙结构方法、图像刻蚀技术、可视化测量实验数据方法等有力地促进了本实验研究的发展。分析了孔隙网络模型实验存在的问题以及未来的发展趋势，对开展孔隙网络模型实验研究有一定的启发作用。     

Temporal alteration of fracture permeability in granite under hydrothermal conditions and its interpretation by coupled chemo-mechanical model

Examining the evolution of fracture permeability under stressed and temperature-elevated conditions, a series of flow-through experiments on a single rock fracture in granite has been conducted under confining pressures of 5 and 10 MPa, under differential water pressures ranging from 0.04 to 0.5 MPa, and at temperatures of 20–90 °C, for several hundred hours in each experiment. Measurements of fluid and dissolved mass fluxes, and post-experimental microscopy, were conducted to constrain the progress of mineral dissolution and/or precipitation and to examine its effect on transport properties. Generally, the fracture aperture monotonically decreased with time at room temperature, and reached a steady state in relatively short periods (i.e., <400 h). However, once the temperature was elevated to 90 °C, the aperture resumed decreasing and kept decreasing throughout the rest of the experimental periods. This reduction may result from the removal of the mineral mass from the bridging asperities within the fracture. Post-experimental observations by scanning electron microscopy, coupled with energy dispersive X-ray spectroscopy (SEM-EDX), revealed the formation of several kinds of secondary minerals such as silica and calcite. However, the precipitated minerals seemed to have had little influence on the flow characteristics within the fracture, because the precipitation was limited to quite local and small areas. The evolving rates and ultimate magnitudes of the fracture aperture are likely to be controlled by the stress exerted over the contacting asperities and temperatures, and by the prescribed flow conditions. Thus, this complex behavior should be attributed to the coupled chemically- and mechanically-induced effect. A coupled chemo–mechano conceptual model, accounting for pressure and free-face dissolutions, is presented in this paper to follow the evolution of the fracture permeability observed in the flow-through experiments. This model addresses the two dissolution processes at the contacting asperities and the free walls within the fractures, and is also capable of describing multi-mineral dissolution behavior. The model shows that the evolution of a fracture aperture (or related permeability) and of element concentrations may be followed with time under arbitrary temperature and pressure conditions. The model predictions for the evolving fracture aperture and elements concentrations show a relatively good agreement with the experimental measurements, although it is not possible to replicate the abrupt reduction observed in the early periods of the experiments, which is likely to be due to an unaccounted mechanism of more stress-mediated fracture compaction driven by the fracturing of the propping asperities.     

Nonaqueous liquid pool dissolution in three-dimensional heterogeneous subsurface formations

A three-dimensional numerical flow and contaminant transport model is developed to investigate the effect of variable hydraulic conductivity on average mass transfer coefficients associated with the dissolution of dense nonaqueous phase liquid (DNAPL) pools in heterogeneous, water-saturated subsurface formations. Randomly generated, three-dimensional hydraulic conductivity fields are used to represent a heterogeneous confined aquifer. Model simulations indicate that the average mass transfer coefficient is inversely proportional to the variance of the log-transformed hydraulic conductivity. A power law correlation relating the Sherwood number to the variance of the log-transformed hydraulic conductivity and appropriate Peclet numbers is developed. A reasonable fit between predicted and numerically determined mass transfer coefficients is observed.     

Advective transport from a penny-shaped crack in a porous medium and an associated uniqueness theorem

This paper examines the problem of the advective transport of a contaminant from sources in the shape of either a penny-shaped crack or an elongated needle-shaped cavity located in a porous medium of infinite extent. The advective transport is induced by Darcy flow in the porous medium, where the internal boundary is maintained at a constant potential. The paper presents an approximate analytical solution to this problem, which is deduced from a formulation that models a cavity in the shape of either an oblate or a prolate spheroid. The results also represent one of the few spatially three-dimensional exact analytical solutions for the, albeit linear, hyperbolic problem governing the contaminant transport problem. The paper also presents a canonical proof of uniqueness for advective contaminant transport problems associated with media of infinite extent. Copyright © 2004 John Wiley & Sons, Ltd.     

Groundwater quality model with applications to various aquifers

A finite element model was developed in order to solve for both regional groundwater flow and conservative solute transport in porous medium. The model was applied to a 55-sq-km groundwater basin in the Ruehen region of Germany using a network of 1450 elements and 780 nodes. This model was used in simulating a contaminant plume done through injection. Similarly, the model was applied to a 4750-sq-km portion in the eastern Nile Delta aquifer in Egypt. The model was applied to this portion of the delta using a network of 543 elements and 310 nodes with the main objective of simulating the problem of salt water intrusion.     

Solute transport through a deforming porous medium

Solute transport through a porous medium is typically modelled assuming the porous medium is rigid. However, many applications exist where the porous medium is deforming, including, municipal landfill liners, mine tailings dams, and land subsidence. In this paper, mass balance laws are used to derive the flow and transport equations for a deforming porous medium. The equations are derived in both spatial and material co‐ordinate systems. Solute transport through an engineered landfill liner is used as an illustrative example to show the differences between the theory for a rigid porous medium, and small and large deformation analysis of a deforming porous medium. It is found that the large deformation model produces shorter solute breakthrough times, followed by the small deformation model, and then the rigid porous medium model. It is also found that it is important to include spatial and temporal void ratio variations in the large deformation analysis. It is shown that a non‐linear large deformation model may greatly reduce the solute breakthrough time, compared to a standard transport analysis typically employed by environmental engineers. Copyright © 2002 John Wiley & Sons, Ltd.     

Scaling Laws and Experimental Modelling of Contaminant Transport Mechanism through Soils in a Geotechnical Centrifuge

This paper presents the results of a research program conducted on the geotechnical centrifuge to investigate contaminant transport mechanism through the soil mass. The mechanism that governs contaminant transport through soil mass is discussed, the principles of geotechnical centrifuge modelling are outlined, and relevant scaling laws that govern the relationship between a centrifuge model and the prototype, with respect to the problem of contaminant transport, are presented. Modelling of models has been established to validate the experimental results. It has been concluded that the geotechnical centrifuge can be used as an experimental tool to simulate field scale problems.