Modeling contaminant transport in soil column and ground water pollution control

A mathematical and computer model for the transport and transformation of solute contaminants through a soil column from the surface to the groundwater is presented. The model simulates selenium species such as selenate, selenite, and selenomethionine as well as pesticides and nitrogen. This model is based on the mass balance equation including convective transport, dispersive transport, surface adsorption, oxidation and reduction, volatilization, chemical and biological transformation. The governing equations are solved numerically by the method of implicit finite difference. The simulation results are in good agreement with measured values. The major finding in the present study indicates that as the time of simulation increases, the concentration of different selenium species approaches the measured values.     

Simulation of polychlorinated biphenyls transport in the vadose zone

Polychlorinated biphenyls (PCBs) are the main constituents of clophen (the liquid of the electric transformers and capacitors) and have been characterized as potential human carcinogens. PCBs can be a hazardous contaminant of soil and groundwater. We used the mathematical model variably saturated 2D flow and transport (VS2DT model) to simulate the transport of PCBs from the soil surface to groundwater for a time period of 30 years. We also used a mathematical model to simulate the colloid-facilitated PCB transport, under saturated flow conditions. The results showed that PCBs dissolved in water cannot be transported to large depths in unsaturated soils, because of their strong sorption onto soil and low solubility in water. For soils with very low or no organic matter content, PCB transport is much faster and the probability of groundwater contamination is much higher. PCBs can partition to colloids originating from dissolved organic matter in groundwater. Colloid-facilitated PCB transport is faster compared to PCB transport in aqueous solution with no colloids present.     

Numerical study of soil heterogeneity effects on contaminant transport in unsaturated soil (model development and validation)

The movement of chemicals through soil to groundwater is a major cause of degradation of water resources. In many cases, serious human and stock health implications are associated with this form of pollution. The study of the effects of different factors involved in transport phenomena can provide valuable information to find the best remediation approaches. Numerical models are increasingly being used for predicting or analyzing solute transport processes in soils and groundwater. This article presents the development of a stochastic finite element model for the simulation of contaminant transport through soils with the main focus being on the incorporation of the effects of soil heterogeneity in the model. The governing equations of contaminant transport are presented. The mathematical framework and the numerical implementation of the model are described. The comparison of the results obtained from the developed stochastic model with those obtained from a deterministic method and some experimental results shows that the stochastic model is capable of predicting the transport of solutes in unsaturated soil with higher accuracy than deterministic one. The importance of the consideration of the effects of soil heterogeneity on contaminant fate is highlighted through a sensitivity analysis regarding the variance of saturated hydraulic conductivity as an index of soil heterogeneity. Copyright © 2011 John Wiley & Sons, Ltd.     

Pesticide behaviour in Quaternary sediments

Pesticides are very often spread in agricultural and forest areas covering important groundwater bodies in Quaternary sand and gravel deposits. They are mostly synthetic organic chemicals used for plant protection against predators and competing herbs. According to their radius of action they can be separated into herbicides, insecticides, nematicides, acaricides, molluscicides, rodenticides, fungicides, and bactericides. With respect to the risks of groundwater contamination by pesticides, only the first three groups are of interest. For a risks assessment of groundwater contamination, detailed knowledge of the geochemical behaviour of the pesticides and of the physico-chemical processes controlling their persistence and transport in the sediments is necessary. These processes can be summarized as dissolution/precipitation, adsorption/ desorption, degradation and transport processes in the soil in the unsaturated and saturated zones. Furthermore, the type of plant production being established in the area has to be considered. In the case of crop rotation the applied pesticides are changed every year and the risk of groundwater contamination is normally low because of retardation and degradation. In soils used for special-purpose crops, an accumulation of pesticide residues is possible, because the same substances are applied every year. Especially on sandy soils the leaching of residues can lead to severe groundwater contamination.     

Groundwater vulnerability to pesticides in Northwest Bangladesh

The transport and leaching potential hazards of various pesticides were studied in a shallow unconfined aquifer located in Northwest Bangladesh. Pesticide leaching potential was quantified using a one-dimensional advective–dispersive transport equation for a non-conservative chemical that follows first-order decay and linear adsorption in soils. Leaching potential index (LPI) was calculated for 69 sites in the study area to evaluate the relative vulnerability to pesticide leaching and to prioritize sites for model study and soil sampling. The numerical ranks of computed LPI were grouped by quantiles into very high, high, moderate, low and very low categories; and based on these rankings, the most vulnerable site was selected. The fate and transport of pesticides in this most vulnerable site was modeled using MT3D. The model results indicate that pesticides with high sorptivity and moderate to high persistence have low potential impact on groundwater. Top soils are found to be particularly vulnerable to the accumulation of organochlorine pesticides. Results also revealed that decreasing the soil organic matter and increasing the half-life of the pesticides at deeper depths did not make any significant change. Finally, six soil samples were collected from the same site at depths of 0.0, 1.5, 3.0, 4.5, 6.0, and 7.5 m for the analysis of pesticide residues. The soil–water was extracted from the samples following standard extraction technique and tested using gas chromatography (GC) and high-performance liquid chromatography (HPLC) for pesticide residues. Results showed no trace of pesticide residues in the soil–water; however, a few unknown peaks were detected indicating the use of some unknown brand of chemicals in the study area.     

基于现场双管试验确定弱透水层水力参数的方法

弱透水层水力参数对基础工程设计、建设和地下水资源评价、地下水污染预测具有重要意义。现提出一种现场确定含水层系统中弱透水层水力参数的钻孔双管试验方法。利用麻花钻钻孔,到达地下水位线以下揭露到目的层位后布设外管,以起到护壁防止土层塌孔的作用。在外管内通过锤击的方式将内管嵌入到目的层中,使其下部管中有一定厚度的土样作为现场固定试验土柱。待内外管中地下水位稳定后迅速加高内管水头,并通过马里奥特瓶装置保持定水头。建立钻孔双管试验土柱的数学模型,推导了土柱顶底面单位面积流量随时间变化的解析解,将其无量纲化后作出标准曲线。作为该方法应用的实例,在长江下游三角洲苏锡常冲积平原的常州天宁区德安医院附近的空旷场地进行了专门的钻孔试验。确定了该地区的细砂质粉土和粉质黏土的渗透系数和贮水率分别为：K=1.66×10?6 m/s,?s =8.21×10?3 m?1;K=6.06×10?7 m/s,?s =2.26×10?3 m?1。结果表明,该方法对于现场确定弱透水层的水力参数有较好的适用性。     

土壤中挥发性污染物迁移转化的两区模型研究

分析了挥发性污染物在土壤中迁移转化机制以及耕作层土壤的特点,在考虑耕作层土壤大孔隙流的特点基础上,以质量守恒原理为基础,建立了挥发性污染物在土壤中迁移转化的两区数学模型,并给出了模型的数值解法。以典型的挥发性污染物为例,对其在土壤中的迁移转化的动力学行为进行分析,认为农药的挥发性以及不动水区含水率是农药在土壤中浓度分布的主要影响因素,验证了土壤中农药挥发性数学模型的应用更符合其发生机制以及所建立的两区模型的正确性。这对于预测挥发性污染物释放对环境污染的变化趋势和控制挥发性污染物对环境的污染具有重要意义,并为土壤中挥发性污染物的安全评价提供了手段。     

含氮污水灌溉实验研究及污染风险分析

在野外实验基地进行的含氮污水灌溉实验工作基础上,分析了污灌过程中氮化合物在土壤及地下水中迁移转化规律.研究结果表明,污灌对下层土壤及地下水中NH₄+浓度影响较小,但对NO₃-浓度影响较大,尤其是长期进行污灌的土壤,易造成地下水中NO₃-污染.利用本文推导的数学模型,可以定量预测污水灌溉后土壤水及地下水中NH₄+、NO₃-浓度的时空变化.采用Monte-Carlo法,进行含氮污水灌溉污染风险分析,结果表明,进入地下水的NO₃--N最大浓度超过污灌水NO₃--N浓度0.76倍的可能性为25%、超过污灌水NO₃--N浓度0.43倍的可能性为75%,污灌造成的地下水NO₃-污染风险必须引起注意.     

Influence of surface/groundwater interaction on pollution by pesticides in farmlands of the Fucino Plain,central Italy

This paper analyses flow and transport of pesticides from the unsaturated zone to groundwater so as to predict concentration of those contaminants in the Fucino Plain’s groundwater, by site investigations and numerical simulations. Pesticides were detected in surface water (peaks of 13 μg L⁻¹) and groundwater (peaks of 0.37 μg L⁻¹). Modelling tools made it possible to identify that pattern of precipitation, organic matter content, and root thickness are the key factors involved in vertical seepage of pesticides. Numerical simulations indicated that a significant fraction of contaminants is leached from the most surficial soil layers through runoff, while only a secondary fraction is mobilised towards groundwater. Likelihood of contaminating deep groundwater is fairly low, whereas surface waters show higher susceptibility. Results of the proposed conceptual hydrogeological model show that pesticides are more likely to be entrained by mixing of stream water with shallow groundwater in periods of high water exploitation from shallow wells.     

基于FEFLOW的三维土壤-地下水耦合铬污染数值模拟研究

`土壤-地下水耦合数值模拟是定量刻画水流和溶质运移的主要手段。现有大范围场地尺度的研究受到数据采集难度及模拟计算量的限制,多是将土壤和地下水分成两个系统,这种方式不利于模型之间的计算反馈,易出现计算误差,因此将土壤和地下水作为整体系统研究具有重要意义。为精确刻画实际场地土壤-地下水系统中污染物迁移规律,揭示变饱和反应溶质迁移模型的参数敏感性,以某铬污染场地为研究对象,基于现场试验及前人研究所获数据,采用Galerkin有限元法建立三维土壤-地下水模型,定量描述六价铬在土壤-地下水中的迁移规律。在此基础上,通过改变补给条件,研究潜水面在土壤-地下水系统中的波动。并讨论阻滞系数和反应常数对溶质运移的影响。结果表明:在土壤中,污染物最大水平迁移距离为场地东南侧300 m;地下水中污染晕最大分布面积约为1.632 km2;垂向上土壤中的六价铬仅需15.6 h即可下渗至潜水面,第6天贯穿含水层。当潜水面随着补给量变化而波动时,地下水中六价铬会随水流进入土壤,影响土壤中污染分布。对溶质运移参数的讨论显示,当反应常数由0增大至10?6 s-1时,迁移出场区边界时地下水中污染物浓度约减少2000 mg/L,较难迁移至涟水河。基于FEFLOW的数值模型,能够解决各系统之间交互性差的问题,提供较为精确的模拟结果。     

基于高斯过程回归的地下水模型结构不确定性分析与控制

目前针对模型结构不确定性的研究方法主要为贝叶斯模型平均方法,而该方法受到模型权重计算困难等影响,应用受限。基于数据驱动的模型结构误差统计学习方法最近得到关注。研究采用高斯过程回归方法对地下水模型结构误差进行统计模拟,并将DREAMzs算法与高斯过程回归相结合,对地下水模型和统计模型的参数同时进行识别。基于此方法,分别以理想岩溶裂隙海水入侵过程和溶质运移柱体实验为例,进行地下水数值模拟及预测结果的不确定性分析。相对于不考虑模型结构误差条件的不确定性分析,结果表明,考虑结构误差之后,能够明显减少参数识别过程中的参数补偿影响,且能显著提高模型的预测性能。因此,基于高斯过程回归的模型结构不确定性分析可以一定程度控制地下水数值模拟的不确定性,提高模型预测可靠性。     

砂箱模型模拟休耕田区以砂桩补注地下水对溶质传输影响

水田在休耕期间蓄水,除了可维持水田原有之生态机能外,亦可增加土壤水分涵养与补注地下水.利用砂箱来模拟休耕田区中打入砂桩以补注地下水时,砂桩存在对灌溉水中之溶质在土壤中传输之影响.由试验结果得知当砂桩贯穿牛踏层时可增加水分入渗速率约40倍,相对的,砂桩亦加速溶质在不同土壤层间之传输速率,尤其在牛踏层下方之土壤为砂层时,其影响更为显著.因此,蓄水过程中需注意水源之品质,以避免土壤与地下水受污染.     

昆明地热田岩溶地下热水系统中溶质运移的模拟

通过对昆明地热田深层基岩地下热水系统的地质、水文地质条件和开采现状的分析,建立了考虑温压变化和越流条件的岩溶热储层中地下热水的水流和溶质(污染物)运移的准三维非稳定流数学模型。对开采条件下地热田Ⅱ 块段地下热水系统中水位及F- 、Cl- 、NH+4 、SO2-4 浓度的模拟结果表明,所建立的模型合理、可靠,具有较高的仿真性。模型可预测不同条件下地热田地下热水的流场和溶质浓度的动态变化趋势,为防治地下热水环境的进一步恶化提供参考。      

Comparison Between Analytical and Numerical Methods in Evaluating the Pollution Transport in Porous Media

Contaminant transport modelling in environmental engineering is generally conducted to evaluate the potential impact of contaminant migration on the subsurface environment or for interpreting tracer tests or groundwater quality data. In the past few decades a number of mathematical models have been established for evaluating the migration of pollution as indicated in the literature. This paper presents a comparison between a number of analytical and numerical models in evaluating pollution transport in soils. Three analytical models and a finite element model developed in this research are used for comparing four numerical examples under different conditions. Four cases of advection dominated problem with line source boundary, advection dominated problem with semi-line source boundary, advection–dispersion–sorption problem with line source boundary and advection–dispersion–sorption problem with semi-line source are considered. Based on the results the best analytical model that has a higher accuracy is recommended for practical applications.     

A general polynomial solution to convection–dispersion equation using boundary layer theory

A number of models have been established to simulate the behaviour of solute transport due to chemical pollution, both in croplands and groundwater systems. An approximate polynomial solution to convection–dispersion equation (CDE) based on boundary layer theory has been verified for the use to describe solute transport in semi-infinite systems such as soil column. However, previous studies have only proposed low order polynomial solutions such as parabolic and cubic polynomials. This paper presents a general polynomial boundary layer solution to CDE. Comparison with exact solution suggests the prediction accuracy of the boundary layer solution varies with the order of polynomial expression and soil transport parameters. The results show that prediction accuracy increases with increasing order up to parabolic or cubic polynomial function and with no distinct relationship between accuracy and order for higher order polynomials (\(n\geqslant 3\)). Comparison of two critical solute transport parameters (i.e., dispersion coefficient and retardation factor), estimated by the boundary layer solution and obtained by CXTFIT curve-fitting, shows a good agreement. The study shows that the general solution can determine the appropriate orders of polynomials for approximate CDE solutions that best describe solute concentration profiles and optimal solute transport parameters. Furthermore, the general polynomial solution to CDE provides a simple approach to solute transport problems, a criterion for choosing the right orders of polynomials for soils with different transport parameters. It is also a potential approach for estimating solute transport parameters of soils in the field.     

北京地区不同介质的土柱淋滤水质试验研究

为探讨冲洪积平原地带地下水水质劣变机理及过程,开展了不同的水土样品组合的16组淋滤试验,以期揭示不同源水在土柱入渗过程阴阳离子、硬度和TDS的变化规律以及地下水类型的演化特征。试验结果表明:淋出液中,阴离子浓度的变幅由大到小依次为HCO_3~-、NO_3~-、SO_4~(2-)、Cl~-和F~-,阳离子的变幅则依次为Na~++K~+、Ca~(2+)和Mg~(2+)。淋出液的硬度、TDS和水化学类型均呈现出有规律的变化,先期主要受控于源水,尔后则主要受土柱介质的影响。除了以垃圾作为淋滤介质的试验外,其他组合的试验都出现了初期TDS和硬度升高的过程,之后与源水趋于一致,揭示了淋滤中浸泡—水岩相互作用—吸附解析—淋洗等复杂过程。     

Using TDR and modeling tools to investigate effects of interactive factors on preferential flow and transport in field sandy clay soil

Investigation of the extent of preferential flow and transport affected by several factors and their interactions in the vadose zone using the advanced measurement and modeling techniques is crucial for protection of groundwater from agricultural chemicals like fertilizers and pesticides. The objectives of this study were to investigate the interactive effects of factors like soil structure, initial soil water content (SWC), and application rate on preferential flow and transport using the time domain reflectometry (TDR) measurements of SWC and electrical conductivity (EC) in the plots of 12 treatments in a sandy clay field soil, applying the models (HYDRUS-1D and MACRO) to the measured data, performing Tukey test statistical analysis, and relating model parameters to basic soil properties, consequently, flow and transport characteristics. Analysis of response times and the changes in SWC and EC with time during the experiments in the profiles of the treatments confirmed the existence of preferential flow and transport at the site. As long as the other factors or conditions were constant; undisturbed versus disturbed soil, wet versus dry initial SWC, and high versus low application rate caused preferential flow and transport in the soil based on the TDR measurements. Overall HYDRUS-1D had better performance than MACRO in the simulations of the measured data. These results suggest that different scales of these factors in different field soils need to be further studied for better understanding the flow and transport processes in the vadose zone.     

The effects of aquifer heterogeneity on the 3D numerical simulation of soil and groundwater contamination at a chlor-alkali site in China

The simulation of groundwater flow and solute transport at contaminated sites often neglects the important influence that aquifer heterogeneity can have on the sub-surface distribution of contaminants. In this paper, the method of transition probability for geological statistics (T-PROGS) included in the Groundwater Model System (GMS) was applied to a chlor-alkali-contaminated site that was sampled with 68 soil borings and 15 groundwater monitoring wells. A 3-D groundwater numerical model and solute transport model was developed that was constrained by soil and groundwater data from the site. The spatial distribution of chloroethylene concentrations was simulated for a number of times using the levels measured in the field as a baseline. The results of these simulations showed that shapes and distribution of contaminant plumes are irregular both vertically and horizontally. The solute-transport simulations indicated that much of the contamination will preferentially move in groundwater through silt and fine-sands whereas flow is largely blocked in clays. Consequently, fine sand and silts become the most seriously polluted zones at the site, whereas, areas underlain by clays are largely uncontaminated. Heterogeneous lithologies beneath a site increase the complexity of coupling simulations of soil and groundwater.     

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。     

Deposition and mobilization of functionalized multiwall carbon nanotubes in saturated porous media: effect of grain size,flow velocity and solution chemistry

Carbon nanotubes (CNTs) are widely manufactured nanoparticles which are utilized in a number of consumer products, such as sporting goods, electronics and biomedical applications. Due to their accelerating production and use, CNTs constitute a potential environmental risk if they are released to soil and groundwater systems. It is, therefore, essential to improve the current understanding of environmental fate and transport of CNTs. The current study systematically investigated the effect of solution chemistry (pH and ionic strength) and physical conditions (collector grain size and flow rate) on the deposition and mobilization of functionalized multiwall carbon nanotubes (MWCNTs) using a series of column experiments under fully saturated conditions. A one-dimensional convection–dispersion model including collector efficiency for cylindrical nanoparticles was used to simulate the transport of MWCNTs in porous media. It was observed that an increase in pH resulted in increased mobility of MWCNTs. However, the transport of MWCNTs was strongly dependent on ionic strength of the background solution and a critical deposition concentration was observed between 3 and 4 mM NaCl concentration, with more than 99 % filtration of MWCNTs at 4 mM. The finer sand grains were able to filter a significant amount of MWCNTs (15 % more than coarse sand) from the inflow solution; this was likely caused by grain-to-grain straining mechanisms in the finer sand. A decrease in pore water velocity also led to more deposition of MWCNTs due to lowering of the kinetic energy of the particles. The results from this study indicated that a weak secondary minimum existed under unfavorable conditions for deposition, but the particles were trapped at both primary and secondary minimum.