重金属迁移转化模型研究

大量重金属污染物迁移转化的现象和研究成果都表明重金属以泥沙颗粒为载体迁移转化,描述重金属在天然水体中的迁移转化必须紧紧抓住泥沙颗粒运动及重金属与泥沙之间的转化关系进行.为此在对现有的重金属迁移转化数学模型进行概括分类的基础上,根据水沙运动与污染物相互作用关系,分析了泥沙颗粒运动及重金属吸附解吸不平衡过程,并结合水沙数学模型,建立了重金属迁移转化的耦合模型.同时在模型合理性分析的基础上,对模型进行了计算分析,分析表明模型能够合理地反映重金属污染物在水体中的迁移转化过程.     

氮类污染物在土壤中迁移转化规律试验研究

在分析氮物质迁移过程的基础上,借助于土柱物理模型试验装置,试验研究了氮类污染物在土壤中迁移转化规律,得到了NH₄+-N、NO₃--N在土柱内的时空变化过程。在分析实测资料后,建立了考虑氮的迁移和转化的数学模型。根据实测资料和数学模型的数值解,运用最优化技术率定模型参数,参数验证结果与独立的实测值吻合良好。     

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。     

填埋场中气体运移的非稳定耦合渗流数学模型

基于多孔介质渗流力学和流固耦合理论，建立了填埋场内挥发性气体在土壤中迁移气－固耦合数学模型，并根据数学模型的非线性特征，采用摄动法求出模型的拟解析解。通过解析求解研究了挥发性气体在土壤中耦合与非耦合渗流情况下孔隙压力分布动态特征，为预测和预报挥发性气体在土壤中的扩散状况，以及对环境污染的治理，控制污染的扩散理论了理论依据。     

河流水沙运动对污染物迁移转化效应研究进展

河道内水流和泥沙是污染物迁移转化的主要载体,研究河道内污染物迁移转化过程以及水沙运动对其影响对于治理日益恶化的河流水环境非常重要。结合国内外研究最新动态,对水沙运动作用下污染物迁移转化的试验研究、作用机理、理论模式和数学模型等进行了总结和概述,重点对几种典型的理论模式和数学模型进行了比较分析。目前河流水沙运动对污染物迁移转化效应相关研究存在试验方法比较局限、作用机理存在分歧、理论模式和数学模型不完备等问题,需要进一步进行室内和野外试验技术创新、颗粒界面动力学的微观探索以及污染物在上下覆水和界面上迁移转化理论研究。对河流水沙运动对污染物迁移转化效应研究的研究方向提出了展望。     

河流水沙运动对污染物迁移转化效应研究进展

河道内水流和泥沙是污染物迁移转化的主要载体,研究河道内污染物迁移转化过程以及水沙运动对其影响对于治理日益恶化的河流水环境非常重要。结合国内外研究最新动态,对水沙运动作用下污染物迁移转化的试验研究、作用机理、理论模式和数学模型等进行了总结和概述,重点对几种典型的理论模式和数学模型进行了比较分析。目前河流水沙运动对污染物迁移转化效应相关研究存在试验方法比较局限、作用机理存在分歧、理论模式和数学模型不完备等问题,需要进一步进行室内和野外试验技术创新、颗粒界面动力学的微观探索以及污染物在上下覆水和界面上迁移转化理论研究。对河流水沙运动对污染物迁移转化效应研究的研究方向提出了展望。     

多年冻土区土壤多环芳烃污染研究进展

多环芳烃（polycyclic aromatic hydrocarbons,PAHs）是一种难降解、毒性强的致癌性污染物,其广泛分布于各环境介质中,陆地环境中90%的PAHs累积在土壤中。随着资源的开发,由油品泄漏、垃圾渗滤、污水排放等行为造成的多年冻土区PAHs土壤污染问题日益突显,并且在气候变化背景下,多年冻土中的PAHs具有重新释放而造成二次污染的风险,多年冻土区土壤多环芳烃污染分布特征和迁移规律研究对评估多年冻土区生态环境风险,防治土壤持久性有机物污染,保障广大多年冻土居民生命健康安全具有重要意义。通过回顾目前国内外多年冻土区土壤中PAHs污染的相关研究,分析发现多年冻土区未受污染的土壤中PAHs的污染水平远低于中低纬度人口密集区域,可代表地球土壤中PAHs的背景值;高纬度或高海拔的地理位置以及严寒的气候使得冻土区土壤中PAHs一个普遍且最重要的来源是大气远距离传输;活动层的冻融作用主要通过改变土壤理化性质和控制水分运移方向影响PAHs在多年冻土区土壤中的垂向分布特征,多年冻土的低渗透性具有阻碍PAHs垂向迁移的作用。综合分析已有研究成果,表明目前冻土区土壤PAHs污染研究还是大量集中于表层土壤中的污染分布调查和来源解析,而关于PAHs在活动层和多年冻土层中的垂向迁移研究还仅限于对其在土壤剖面中分布状况的解释性分析,冻融作用对PAHs在土壤中的迁移、转化和归宿的影响机制还不清楚。未来多年冻土区土壤中PAHs的研究将集中于迁移转化机理与污染治理技术两方面,针对PAHs在多年冻土区土壤中迁移行为的模拟模型亟待研究开发,以实现PAHs污染储量和迁移通量的定量预测;此外,多年冻土区土壤污染问题的深入研究还需要紧密联系多圈层、多界面、多介质、多要素以及多目标污染物而开展。     

非平衡吸附模型在研究渗滤液对土壤污染影响中的应用

分析了有机污染物在土壤中的迁移转化机理，建立了非平衡吸附作用下渗滤液中有机污染物在土壤中迁移转化的动力学模型，给出了模型的数值解法，模拟出渗滤液在非平衡吸附作用下的污染过程；同时还探讨了模型参数降雨量p，垃圾土土层的厚度h，含水率θ等对有机污染物运移的影响。结果表明：在总的污染源一定的情况下，降雨量的增大和污染土层厚度的增大会使得下层土壤中有机物的浓度降低，为定量研究有机污染物在土壤-水环境系统中分配与归宿提供理论依据，同时也可为监测、治理和恢复地下水污染提供一定的科学根据。     

甲苯在土壤地下水中迁移规律研究

石油泄漏导致甲苯等有机污染物污染土壤地下水,并且甲苯等石油类有机污染物对土壤地下水污染具有隐蔽性强、难以逆转等特点,污染治理难度大。因此,研究甲苯有机污染物在土壤地下水中运移规律是治理的关键。该文以某污染场地为研究区,以甲苯有机污染物为研究对象,考虑了淋滤、吸附的影响,采用模型计算方法,分析了甲苯在污染场地土壤地下水中迁移规律。结果表明：甲苯在土壤地下水中迁移过程中,淋滤作用对甲苯浓度变化影响显著;吸附影响下扩散作用及地下水位变化对甲苯迁移产生的影响均受到抑制。该文获得的甲苯在土壤地下水中迁移规律可为甲苯有机污染物污染场地修复提供依据。     

土壤中污染物迁移转化规律的数值模拟研究

考虑到田间土壤的结构性以及运移其中的污染物的化学反应特征,建立了两区双点平衡/动力学吸附溶质运移模型。用拟交替显隐式有限差分格式对模型进行了离散,通过编制的相应程序,对一施药期的水田进行了模拟。研究了土壤中污染物的迁移转化规律,分析了不可动水和非平衡吸附相对浓度分布的影响。结果表明：不可动区水相和非平衡吸附相的浓度具有的滞后现象,在污染前期一定程度上起到了延缓污染作用,而在污染后期又在一定程度上加重了污染。二者的存在均对溶质的迁移转化具有重要的影响,进行数值模拟时应充分考虑二者的存在。模拟及分析结果为土壤环境质量评价提供了定量依据,同时对环境污染的治理与控制具有理论和现实意义。     

Pesticide transport and transformation modeling in soil column and groundwater contamination prediction

Pesticide transport and transformation were modeled in soil column from the soil surface to groundwater zone. A one dimensional dynamic mathematical and computer model is formulated to simulate two types of pesticides namely 2,4-dichlorophenoxy acetic acid and 1,2-dibromo 3-chloro propane in soil column. This model predicts the behavior and persistence of these pesticides in soil column and groundwater. The model is based on mass balance equation, including convective transport, dispersive transport and chemical adsorption in the phases such as solid, liquid and gas. The mathematical solution is obtained by finite difference implicit method. The model was verified with experimental measurements and also with analytical solution. The simulation results are in good agreement with measured values. The major findings of this research are the development of the model which can calculate and predict the concentration of pesticides in soil profiles, as well as groundwater after 4, 12, 31 days of pesticide application under steady state and unsteady water flow condition. With the results of this study, the distribution of various types of pesticides in soil column to groundwater table can be predicted.     

Modeling preferential water flow and solute transport in unsaturated soil using the active region model

Preferential flow and solute transport are common processes in the unsaturated soil, in which distributions of soil water content and solute concentrations are often characterized as fractal patterns. An active region model (ARM) was recently proposed to describe the preferential flow and transport patterns. In this study, ARM governing equations were derived to model the preferential soil water flow and solute transport processes. To evaluate the ARM equations, dye infiltration experiments were conducted, in which distributions of soil water content and Cl⁻ concentration were measured. Predicted results using the ARM and the mobile–immobile region model (MIM) were compared with the measured distributions of soil water content and Cl⁻ concentration. Although both the ARM and the MIM are two-region models, they are fundamentally different in terms of treatments of the flow region. The models were evaluated based on the modeling efficiency (ME). The MIM provided relatively poor prediction results of the preferential flow and transport with negative ME values or positive ME values less than 0.4. On the contrary, predicted distributions of soil water content and Cl⁻ concentration using the ARM agreed reasonably well with the experimental data, with ME values higher than 0.8. The results indicated that the ARM successfully captured the macroscopic behavior of preferential flow and solute transport in the unsaturated soil.     

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.     

Numerical modeling of coupled fluid flow and thermal and reactive biogeochemical transport in porous and fractured media

Subsurface contamination problems of metals and radionuclides are ubiquitous. Metals and radionuclides may exist in the solute phase or may be bound to soil particles and interstitial portions of the geologic matrix. Accurate tools to reliably predict the migration and transformation of these metals and radionuclides in the subsurface environment enhance the ability of environmental scientists, engineers, and decision makers to analyze their impact and to evaluate the efficacy of alternative remediation techniques prior to incurring expense in the field. A mechanistic-based numerical model could provide such a tool. This paper communicates the development and verification of a mechanistically coupled fluid-flow thermal-reactive biogeochemical-transport model where both fast and slow reactions occur in porous and fractured media. Theoretical bases, numerical implementations, and numerical experiments using the model are described. A definition of the “rates” of fast/equilibrium reactions is presented to come up with a consistent set of governing equations. Two example problems are presented. The first one is a reactive transport problem which elucidates the non-isothermal effects on heterogeneous reactions. It also demonstrates that the rates of fast/equilibrium reactions are not necessarily greater than that of slow/kinetic reactions in the context of reactive transport. The second example focuses on a complicated but realistic advective–dispersive–reactive transport problem. This example exemplifies the need for innovative numerical algorithms to solve problems involving stiff geochemical reactions. It also demonstrates that rates of all fast/equilibrium reactions are finite and definite. Furthermore, it is noted that a species-versus-time curve cannot be used to characterize the rate of homogeneous fast/equilibrium reaction in a reactive transport system even if one and only one such reaction is responsible for the production of this species.     

大变形黏土防渗层中的污染物迁移和转化规律研究

国内湖泊疏浚污染底泥堆场一般以较厚的黏土层作为主要防渗层,由于在上覆底泥作用下黏土层会发生较大的固结变形,因此,在研究黏土防渗层中的污染物运移和转化规律时,应该考虑土体变形的影响。基于Gibson一维大变形固结理论和饱和多孔介质中的污染物对流扩散方程,建立了二者耦合的可变形多孔介质中污染物的运移和转化模型,其中首次考虑了土体自重和生物降解作用的影响。利用所建立模型的数值解,研究了在可变形黏土防渗层中的污染物运移和转化规律,同时分析了模型中不同项和主要参数的作用和影响。研究结果表明,土体大变形对黏土防渗层中污染物的运移有着较复杂的影响,一方面土体变形会加速污染物的运移;另一方面土体固结带来的渗透性减小会增加污染物的穿透时间,二者的不同作用取决于众多的影响因素,如土层厚度和吸附作用等。研究结果对于评估天然黏土防渗层对污染物的阻隔作用有重要的指导意义。     

非均匀土壤中溶质运移的两区模型及其解析解

给出了非均匀土壤中考虑水动力弥散尺度效应的一维溶质运移两区模型。然后在初始浓度为零,半无限一维空间内常数通量边界条件下,推导出了可动区和不动区溶质浓度分布的解析表达式。并用Mathematica软件包作了数值计算。计算结果表明,该模型的模拟结果符合溶质运移的一般规律,因而该模型在土壤溶质运移的研究和应用中有一定的价值。     

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。     

多孔介质中非水相流体运移的数值模拟

针对多孔介质中水、气和非水相流体(NAPLs)的多相流动特点,建立了非水相流体(NAPLs)污染物迁移模型,分析了非水相流体在土壤非饱和区和地下水系统中的运移规律。通过有限元数值解对轻非水相流体和重非水相流体在土壤系统中的迁移过程进行模拟,得到了污染物的时空分布特征和污染范围。计算结果表明,数值模拟方法能够合理地描述非水相流体的运移过程和污染特征。土体渗透性和污染物残余饱和度是其重要影响因素。