非均质土柱中溶质迁移的连续时间随机游走模拟

非均质介质中溶质迁移往往出现非费克现象,传统的对流弥散方程(ADE)则难以较好地描述这种现象.采用连续时间的随机游走理论(CTRW)研究1250cm长一维非均质土柱中溶质运移问题,探讨CTRW模型中参数及非费克迁移的变化特征.研究结果表明,β值的大小与介质的非均质特征有关,非均质性越强,β值越小,但β值具有相对的稳定性,然而ADE的弥散系数则具有随尺度增大而增大的现象.对于介质非均质性较强和非费克现象较明显的溶质穿透曲线,尤其是在拖尾部分,与ADE相比,CTRW具有较高的模拟精度.     

多尺度非均质多孔介质中溶质运移的蒙特卡罗模拟

探讨了将蒙特卡罗(Monte Carlo)方法应用于多尺度非均质含水层中溶质运移模拟的方法。所研究的含水层由两种具有不同渗透系数统计特征的多孔介质所组成,每一种多孔介质是非均质的,且其渗透系数场符合平稳假设,而整个模拟区的渗透系数是非平稳的。Monte Carlo方法要求参数是平稳的,因此,分别对两种多孔介质产生若干随机渗透系数场后,用两种方法进行组合,并进行溶质运移的模拟计算。通过对计算结果的分析,综合考虑计算精度、计算时间等因素,得出了处理多尺度非均质多孔介质中溶质运移问题的较好方法。     

岩溶区地下水数值模拟研究进展

岩溶含水介质的不均一性导致岩溶地下水流动、溶质运移和热量迁移的数学模拟研究成为地下水模拟的难点。本文综述了岩溶区地下水流模拟的几种方法,重点阐述了等效多孔介质法、双重连续介质法和三重介质法的定义、发展过程和适用范围,并回顾了这几种方法的研究成果。从等效多孔介质法到三重介质法,模拟精度不断提高,适用范围也逐渐由大区域实际问题向小区域理论研究过渡。介绍了溶质运移模拟和热迁移模拟的研究方法及实例。溶质运移模拟以对流弥散方程为基础,其中尺度效应是溶质运移模拟的重点研究问题;热量迁移模拟应考虑地下热水密度变化对地下热水运动的影响。溶质运移模拟和热量迁移模拟往往是将迁移模型和已经调试成功的地下水流动模型相耦合,从而达到模拟溶质及热量迁移的目的。由于溶质运移和热量迁移的复杂性,现阶段水流模型多数处于等效多孔介质模型阶段。综合理论及实际应用,指出精确刻画裂隙及管道和注重基础数学算法是岩溶水数值模拟进步的关键。      

地下多组分反应溶质运移数值模拟:地质资源和环境研究的新方法

地下多组分反应溶质运移数值模拟(RTM)是解释地球系统中的耦合过程和不同时空尺度对其影响的重要工具。RTM是研究地球科学基础理论、地质资源和环境等复杂地球化学过程的一个新方法,可用于如废物处置安全性评估、地下水污染研究、二氧化碳地质储存、金属矿床的地浸开采等的研究中。笔者首先回顾了反应溶质溶质运移模拟的发展历史,然后总结了反应溶质运移模拟的发展现状,再从耦合过程、空间尺度、裂隙和非均质介质处理角度说明了反应溶质运移模拟所面临的挑战。结合地下水质的演化、生物降解、CO2地质储存等具体实例讨论了反应溶质运移模拟的广泛应用前景,探讨了反应溶质运移模拟的未来发展方向。     

宏观各向异性多孔介质中流体变形及溶质运移

为深入探究含水层中多孔介质的不规则形态和分布对于地下水流场及溶质运移的作用,根据沉积环境中已被发现的倾斜交叉分层地质单元结构,人为构造多孔介质双层交叉鱼骨结构,使其形成宏观各向异性水力传导特征,通过数值模拟研究该结构及其空间位置对于流场和溶质运移的影响。研究发现:宏观各向异性多孔介质引发了螺旋状流动,导致流线的拉伸和折叠,使得溶质羽发生不规则变形,显著提升了非反应性溶质的稀释程度;宏观各向异性结构和溶质羽在三维空间中的垂向相对位置对于溶质运移具有显著影响。     

多孔介质渗透系数的空间尺度效应研究进展

多孔介质渗透系数的空间尺度问题是一个与地下流体运动和溶质运移的数值模拟密切相关的应用性课题,广泛的应用需求和新的计算方法使其成为近年的热门课题之一。它涉及到相互联系的两个方面：①非均质介质场渗透系数空间尺度行为的分析与模拟;②将局部测量尺度下的试验参数转化为数值模拟网格尺度下的参数输入值的升尺度（ｕｐｓｃａｌｉｎｇ）方法和计算模型。首先介绍了该课题在概念上的拓展及其物理含义,进而以方法为主线,对这一领域具有代表性的研究成果进行了分类和评述,讨论了该课题的研究对地下水流和溶质运移的模拟分析乃至整个多孔介质流体运动研究的意义。     

多孔介质渗流力学理论研究现状及发展趋势

多孔介质广泛存在于地下岩土结构、工程材料、生物体中,由于多孔介质微结构的复杂性,多孔介质渗流问题受到广泛关注。总结介绍了多孔介质渗流理论在国内外的研究现状,对多孔介质的描述、渗流问题的研究方法以及多孔介质中溶质运移、热量运移以及数值模型等方面的研究进展作了评述,并就多孔介质渗流理论在环境、农业、生态等领域的应用与发展方向提出看法。     

基于图像法的多孔介质双分子反应溶质运移模拟

采用图像分析法确定溶质浓度,以硫酸铜和EDTA二钠作为双分子反应物,在多孔介质模型中开展了不同粒径(1.52.0,2.53.0,3.54.0 mm)和流量(1.0,1.5,2.0 mL/s)下反应性溶质运移实验,探讨了应用不完全混合的对流弥散模型(IM-ADRE)对双分子反应溶质运移的模拟和预测,并进行了参数敏感性分析。结果表明:图像分析法可准确获取多孔介质中显色反应性溶质的浓度,灰度值与浓度的决定系数R²大于0.96;用IM-ADRE模型能够准确预测双分子反应性溶质硫酸铜和EDTA二钠在3种不同多孔介质中的运移过程,误差低于3.71%;实验条件的改变对IM-ADRE模型参数D、m和β₀的影响显著,说明模型参数依赖于环境条件,其变化规律需要根据实际环境条件进一步率定,便于IM-ADRE模型的进一步推广应用。     

含水层非均质性不同刻画方法对地下水流和溶质运移预测的影响

为探讨含水层非均质性不同刻画方法对地下水流和溶质运移预测的影响,基于非均质含水层砂箱实验,分别用传统等效均质模型、克立金插值和水力层析刻画含水层渗透系数场,并探讨了先验信息对水力层析结果的影响.将不同方法估算的渗透系数场用以预测地下水流和溶质运移过程,以此判断不同方法估算结果的优劣,分析含水层非均质性对地下水流和溶质运移的影响.结果表明:与克立金插值法相比,水力层析法可以更好地刻画含水层非均质性,较准确地预测地下水流和溶质运移过程;钻孔岩心渗透系数样本值作为先验信息可以提高水力层析法估算结果的精度;传统等效均质模型无法准确预测地下水流和溶质运移过程.含水层非均质性的增强将导致溶质污染羽分布形态和运移路径的空间变异性增强,并且优势通道直接决定溶质的分布及运移路径.      

多尺度有限单元法求解非均质多孔介质中的三维地下水流问题

应用多尺度有限单元法模拟非均质多孔介质中的三维地下水流问题。与传统有限单元法相比，多尺度有限单元法的基函数具有能反映单元内参数变化的优点，所以这种方法能在大尺度上抓住解的小尺度特征获得较精确的解。在介绍多尺度有限单元法求解非均质多孔介质中三维地下水流问题的基本原理之后，对参数水平方向渐变垂直方向突变的非均质多孔介质中的三维地下水流和Borden实验场的三维地下水流分别用多尺度有限单元法和传统等参有限单元法进行了计算，结果表明在模拟高度非均质多孔介质中的三维地下水流问题时，多尺度有限单元法比传统有限单元法有效，既节省计算量又有较高的精度；在模拟非均质性弱的多孔介质中的三维地下水流问题时，多尺度有限单元法虽然也能在大尺度上获得较为精确的解，但效果不明显。     

Three-Dimensional Numerical Method of Moments for Linear Equilibrium-Adsorbing Solute Transport in Physically and Chemically Nonstationary Formations

A Lagrangian perturbation method is applied to develop a method of moments for reactive solute flux through a three-dimensional, nonstationary flow field. The flow nonstationarity may stem from medium nonstationarity, finite domain boundaries, and/or fluid pumping and injecting. The reactive solute flux is described as a space–time process where time refers to the solute flux breakthrough in a control plane at some distance downstream of the solute source and space refers to the transverse displacement distribution at the control plane. The analytically derived moments equations for solute transport in a nonstationary flow field are too complicated to solve analytically; therefore, a numerical finite difference method is implemented to obtain the solutions. This approach combines the stochastic model with the flexibility of the numerical method to boundary and initial conditions. The approach provides a tool to apply stochastic theory to reactive solute transport in complex subsurface environments. Several case studies have been conducted to investigate the influence of the physical and chemical heterogeneity of a medium on the reactive solute flux prediction in nonstationary flow field. It is found that both physical and chemical heterogeneity significantly affect solute transport behavior in a nonstationary flow field. The developed method is also applied to an environmental project for predicting solute flux in the saturated zone below the Yucca Mountain Project area, demonstrating the applicability of the method in practical environmental projects.     

单裂隙介质中的溶质运移研究综述

总结了有关单裂隙介质中溶质运移的基本特点和实验研究的成果,得出影响单裂隙介质中溶质运移的几个重要因素,例如骨架扩散、弥散、表面吸附等,介绍了几个具有代表性的数学模型,同时对模型的有效性和局限性进行了初步讨论.     

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.     

纵向弥散作用与渗透介质非均质性定量关系的模拟研究

在地下水污染模拟预报中,弥散参数是很难确定的一个模型参数。因实验室小尺度弥散规律一般不能用于大尺度弥散过程,而野外示踪试验却耗资大、周期长,限制了其实用性。文中利用随机数值模拟手段、基于随机理论的蒙特卡罗方法及序贯高斯模拟技术来生成渗透系数随机场,并研究渗透系数对数场的方差、相关长度以及变异函数类型在不同尺度上对纵向弥散度的影响,进而建立纵向弥散度与随机分布渗透系数场的方差和相关长度的统计定量关系,并与Gelhar理论计算结果进行比较。数值模拟结果表明,经过一定迁移距离后纵向弥散度与随机分布渗透系数对数场的方差和相关长度具有良好的线性统计关系,与Gelhar理论公式表达的关系类型类似。但对于较大的方差,纵向弥散度模拟结果明显大于Gelhar理论计算值,而对于较大相关长度在迁移距离不很大时,纵向弥散度模拟结果明显小于Gelhar理论计算值。本研究可为野外大尺度地下水污染预报模型中水动力弥散参数的确定提供方法借鉴。     

土壤水力特性空间变异的试验研究进展

土壤水力特性的空间变异是影响土壤中水分及溶质运移动态的主要因素.70年代以来国内外有关学者就土壤水力特性空间变异进行了大量的试验研究,通过对试验结果分析,得出了许多可供参考的结论,如水力特性空间变异尺度随研究区域尺度的增大而增大,且两者呈一定的比例关系,大多数水力特性遵从对数正态和正态分布,这些结论对于研究区域溶质(污染物)的迁移动态以及区域水盐动态预报十分重要的参考价值.     

Transverse Dispersion of a Kinetically Sorbing Solute

A recursion formulation for the transverse spreading of a solute is developed, and under conditions of steady flow in a stratified aquifer, the transport of a linearly sorbing solute undergoing nonequilibrium sorption is studied. The effect of spatial variability in the velocity field and the sorption kinetics are modeled to see the combined effect of the two processes on the spreading of the solute injected at a point in the aquifer. The main result of this work is a transport model based on a discrete formulation that includes local dispersion and leads to nonasymptotic behavior in the spreading of the plume in a direction normal to the mean flow velocity.     

Coupled hydrogeological and reactive transport modelling of the Simpevarp area (Sweden)

The Simpevarp area is one of the alternative sites being considered for the deep geological disposal of high level radioactive waste in Sweden. In this paper, a coupled regional groundwater flow and reactive solute transport model of the Simpevarp area is presented that integrates current hydrogeological and hydrochemical data of the area. The model simulates the current hydrochemical pattern of the groundwater system in the area. To that aim, a conceptual hydrochemical model was developed in order to represent the dominant chemical processes. Groundwater flow conditions were reproduced by taking into account fluid-density-dependent groundwater flow and regional hydrogeologic boundary conditions. Reactive solute transport calculations were performed on the basis of the velocity field so obtained. The model was calibrated and sensitivity analyses were carried out in order to investigate the effects of heterogeneities of hydraulic conductivity in the subsurface medium. Results provided by the reactive transport model are in good agreement with much of the measured hydrochemical data. This paper emphasizes the appropriateness of the use of reactive solute transport models when water-rock interaction reactions are involved, and demonstrates what powerful tools they are for the interpretation of hydrogeological and hydrochemical data from site geological repository characterization programs, by providing a qualitative framework for data analysis and testing of conceptual assumptions in a process-oriented approach.     

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.