基于转移概率随机模拟的DNAPL运移二维和三维数值模拟对比研究

非均质介质的空间维度变化对重非水相流体（DNAPL） 的运移具有重要的影响。在充分考虑地质体的空间连续 性、不对称性以及各向异性等特征的基础上,采用基于马尔可夫链的转移概率（transition probability） 模型来构建非均质 随机场。该文通过TMVOC-MP软件来模拟DNAPL在非均质介质中的运移规律,探讨非均质随机场的水平空间连续性、 空间维度变化以及侧向运移过程对DNAPL运移的影响。结果表明,介质的水平空间连续性越好,DNAPL在水平方向的 迁移范围越大,在垂向的迁移范围越小;相比于三维模型,二维模型中DNAPL在水平方向的展布更大、在透镜体上的蓄 积量更多,在实际应用中以二维模型代替三维模型会加大模拟结果与实际污染情况之间的误差;侧向运移过程削弱了单 个平面的非均质性对DNAPL运移的控制,当存在侧向运移时,DNAPL绕过透镜体所运移的距离以及在透镜体上的蓄积 量会相应减小。     

稳定流场中饱和均质土壤盐分迁移的传递函数解

通过对淹灌条件下砂质壤土的盐水入渗试验,以传递函数模型作为数学模拟的工具,探讨了对流占优运移机制下土壤盐分的迁移特征,得到了盐分在45cm土层的迁移时间概率分布函数与迁移时间概率密度函数及土壤盐分平均孔隙流速和水动力弥散系数,进行了盐分出流过程的数学模拟,同时对描述稳定流场中土壤盐分对流迁移特征的有关参量进行了初步分析。     

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.     

基于流网单元的污染物优势运移数值模型

垃圾填埋场滤出液、入侵海水、核废物及生产生活废水等污染物随地下水的迁移威胁人类生存。地下水渗流的随机性导致溶质运移问题更加复杂。根据流网特点,利用流线与水头等势线对求解域进行离散,基于质量守恒原理建立流网单元内溶质浓度求解的隐式有限体积差分格式。基于多孔介质孔隙流速分布规律,利用蒙特卡洛法建立流管单元随机流速场进行溶质运移过程的数值模拟,最后根据数值模拟和模型试验的结果对比,验证了数值模拟方法的准确性。基于流网单元的数值模型中沿流线方向的物质交换由对流和扩散共同作用,而流管间的物质交换只有扩散作用,因此,可在不使用弥散系数下进行污染物运移的模拟。引入随机方法确定流管内流速为研究非均匀流场中染污物的优势迁移提供了新的思路。     

渗透系数升尺度对非均质含水层溶质迁移影响研究

区域非均质含水层地下水污染物迁移模拟中尺度选择十分关键。以下辽河平原浑河洪积扇为例,依据钻孔资料用T-PROGS软件生成非均质渗透系数场,以此模拟污染物在三维非均质含水层中不同离散网格尺寸以及不同迁移模型条件下的迁移情况,结果表明不同迁移模型条件下网格尺寸大小对污染物迁移的影响较大,双域模型条件下污染物浓度穿透曲线出现明显的"拖尾"现象,穿透曲线"拖尾"转折点浓度与模型参数有关。在近源处网格尺寸的变化对双域模型的影响大于对对流—弥散模型的影响。     

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。     

去耦合方法求解非均质地区地下水中多组分反应-运移模型

近些年来地下水中多组分反应-运移模型在地球科学及环境领域开始得到应用,但其求解较为复杂,为了提高计算效率,可以采用去耦合化方法处理,从而使模型求解得到简化。针对自然界中广泛存在的非均质地质体,提出该类条件下的去耦合化方法,即根据水-岩间、水溶组分间反应的不同,将整个研究区划分为若干子区域,获得对应的去耦合化矩阵。对化学场中各子区域间相邻边界进行设定,达到简化模型求解的目的。最后,以一维非均质介质中基于热力学平衡的反应-运移问题作为算例,基于以上方法进行求解,并与该算例经PHAST软件所示的结果较为一致。结果表明,基于去耦合化方法获得的各离子浓度随时间演变和沿空间分布特征与PHAST所示的结果较为一致,显示该方法在非均质区域模拟溶质运移等方面具有较好的适用性。     

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。     

连续时间随机游动理论模拟多孔介质中溶质运移的研究进展

近年来,基于连续时间随机游动(Continuous Time Random Walk, CTRW)理论所建立的模拟非均质多孔介质中溶质运移的方法已在大量的数值实验、室内实验、野外实验中得到了广泛的验证,为非均质多孔介质中的溶质运移行为提供了一种有效的模拟方法。简述了提出和发展CTRW的研究背景、基础理论以及与经典的对流-弥散方程等其他模拟方法的关系,综述了该理论在模拟溶质运移中的发展和应用,分析了实际应用中的关键问题,并展望了将其进一步发展应用于模拟反应性溶质运移的前景。     

层状非均质性对CO_2在盖层中迁移泄漏规律的影响

盖层密封性能对CO_2地质封存工程的容量、经济性、安全性具有重要影响。盖层岩石具有明显的层状非均质特点,而这种层状非均质特点直接影响CO_2在盖层中的迁移与泄漏过程,从而影响盖层的密封性能。现有研究考虑了各向同性的非均质性对盖层密封性能的影响,但并未针对层状非均质性盖层展开相应的研究。建立了考虑孔隙度、渗透率和毛管压力参数变化关系的均质、非层状非均质和层状非均质3种盖层地质模型,并采用TOUGH2对统一边界条件的不同地质模型开展了数值模拟对比研究,分析了CO_2进入盖层、盖层内迁移和穿透盖层而形成缓慢泄漏的全过程。模拟结果表明:3种模型中,自由态CO_2饱和度分布与孔隙度、渗透率的分布基本一致;与均值模型相比,非层状非均质性会加速CO_2在盖层中的迁移,而层状非均质性将会阻碍CO_2在盖层中的迁移,增加穿透时间;与均质模型和非层状非均质模型相比,层状非均质模型将会大大降低CO_2的穿透盖层以后的泄漏速率和泄漏总量。针对建模和数值模拟过程中遇到的问题,提出了盖层地质建模过程中的一些局限性。其结果为更加客观和定量地评价CO_2在盖层内迁移规律及泄漏量奠定了一定的基础。     

一维均质与非均质土柱中溶质迁移的分数微分对流-弥散模拟

分数微分对流-弥散方程(FADE)是模拟溶质迁移问题的新理论,但应用FADE来模拟溶质迁移时能否克服弥散的尺度效应尚待验证。利用长土柱实验资料结合FADE的解析解拟合推求FADE的弥散系数,并分析其与尺度之间的相关关系。研究结果表明,FADE的弥散系数具有随尺度增大而增大的现象,且均质土柱中FADE的弥散系数尺度效应小于非均质土柱中弥散系数尺度效应。在均质土柱中,弥散系数与尺度之间成指数相关关系,在非均质土柱中,弥散系数与尺度之间成幂相关关系。考虑了弥散系数分别与迁移时间和迁移距离呈线性递增两种相关关系,进而分别构建了3种考虑弥散尺度效应的FADE模型,并提出了求解的差分方法。利用上述3种考虑弥散尺度效应的FADE来模拟和预测不同空间位置处的溶质迁移过程。结果表明,对均质土柱中的溶质迁移可得到较好的模拟结果;对于非均质土柱,其模拟结果与实测结果仍然存在一定的差异。     

溶质入渗土工合成衬垫的化学-渗透特性研究

溶质在土工合成衬垫（GCL）长期入渗过程中具有明显的化学-渗透特性。室内渗透试验表明：阳离子之间的置换效应对GCL衬垫渗透系数影响较大,10 mM的CaCl2溶液使渗透系数上升至2.5×10-11 m/s,而30 mM的CaCl2溶液使渗透系数上升至5.6×10-11 m/s。渗透液体浓度的增加缩短了溶质穿透GCL的时间,且预饱和处理试剂对GCL渗透系数的变化影响较大,采用蒸馏水作为预饱和试剂处理GCL衬垫对其渗透系数的影响明显小于CaCl2溶液;建立了考虑膜效应和离子交换效应条件下溶质运移耦合动力学模型,并对GCL穿透试验过程中溶质浓度的变化进行了预测,仿真计算结果表明,10 mM和30 mM两种CaCl2溶液渗透条件下,Ca2+浓度变化的试验结果和计算结果均相吻合,验证了耦合动力学模型的可靠性;从Ca2+浓度及流量穿透曲线分布可知,化学-渗透效应可有效地延缓溶质的迁移速度。随着溶质浓度的降低,阻滞作用更显著。因此,在分析GCL衬垫中溶质入渗特征时,必须考虑化学-渗透效应的影响。     

土石混合介质中非反应性阴离子运移试验研究

为探讨化学物质在土石混合介质中的运移过程和机理,采用饱和稳态流下的Cl-1混合置换试验,测定水流和溶质运移过程,分析土石混合介质的溶质穿透曲线特征及碎石组成和含量对运移过程的影响。选用CXTFIT2.1的平衡和物理非平衡对流弥散模型,对参数弥散系数D和滞留因子R进行反求。结果显示:不同土石比的D变异较大:0.258~22.31 cm2/h。R的波动范围为0.6~1.54;碎石含量影响土石介质的溶质运移过程表现为平均孔隙流速、弥散系数、弥散度均与土石比成负指数的幂函数关系。对碎石粒径与溶质运移参数进行相关分析发现,小粒径的碎石含量增加,则孔隙流速和弥散系数有减少的趋势,而大于10 mm的碎石有利于溶质的运移。通过土石介质的非反应性阴离子的混合置换试验研究,可以为非均一介质中化学物质运移提供参考。     

Quantification of electrical resistance to estimate NaCl behavior in a column under controlled conditions

Accurate prediction of solute transport processes in surface water and its underlying bed is an important task not only for proper management of the surface water but also for pollution control in these water bodies. Key issue in this task is an estimation of parameters as diffusion coefficient and velocity for solute transport both in water body and in the underlying bed. This estimation would greatly help us to understand the deposition and release mechanism of solute across the water-bed interface. In this study, a column experiment was conducted in laboratory to estimate the velocity and diffusion coefficient of sodium chloride (NaCl) in water body and underlying sand layer (bed). The column used with a diameter of 30 cm and a height of 100 cm, was filled with sand at the lower half part and water at the upper half part. Total 64 stainless steel electrodes were installed on its surface around. The sodium chloride solution was injected from the top of the column, and electrical resistance between electrodes was monitored for 71 h. Then the dimensionless resistance breakthrough curve was fitted with one dimensional analytic solution for solute transport and the related diffusion coefficient and velocity parameters were estimated. The results show that the NaCl transport velocity was high in the water body but extremely low in the underlying sand layer (bed). The diffusion coefficient estimated in sand layer coincides with those reported well. This indicates that the electrical resistance based solute transport parameter estimation method is not only effective but also has an advantage of multipoints monitoring. This is useful both in mapping solute transport parameter for solute transport process analysis and in providing parameter input for solute transport numerical modeling.     

Simulation of chloride transport in an aggregated soil using three conceptual models

Breakthrough curves (BTCs) of chloride displaced through columns of loessial soil aggregates of different sizes were measured under saturated steady flow conditions. The data were simulated using three conceptual models. Model I (CDE) assumed that all soil water was mobile and physical equilibrium existed in the system. Model II (two-region model) partitioned the soil water into mobile and immobile regions, and convective diffusive solute transport was limited to the mobile water region. Model III (two-flow region model) also divided the soil water into two regions based on their flow velocities, but both of the regions had a non-zero flow rate. Transfer of the chloride solute between the two soil water regions was assumed to occur at a rate proportional to the difference in solute concentration. The two unknown parameters in model I, three in model II, and four in model III were estimated by fitting the experimental data. The three models could well describe all the BTCs measured for columns packed with all the aggregate sizes at the low pore water velocity (0.68 cm/h); however, the values of the fitted parameters varied greatly. The Peclet numbers derived from both the two-region (model II) and two-flow region (model III) models behaved similarly and increased with increases in aggregate size. But the Peclet numbers derived from the convection dispersion equation (model I) were about two orders of magnitude greater than those derived from the other two models. The mobile water fraction obtained for the two-flow region model decreased with increases of aggregate size. The mass transfer coefficient decreased with an increase in pore water velocity due to the shorter residence time of the chloride solute in the soil columns.     

Preferential water and solute transport through sandy soil containing artificial macropores

Macropores resulting from soil pedogenesis and biological activity play important roles in soil water and chemical transport. Numerous studies have examined individual macropores and the effects of their size on solute transport, but few have assessed the effects of macropore continuity and of neighboring macropores. This paper describes a laboratory investigation of the effects of macropores, with varying degrees and types of continuity, on the transport and distribution of solutes in a sandy soil from the northern Loess Plateau, China. Breakthrough curves were obtained from 60 cm tall, 2-D columns containing standardized artificial macropores using an input solution of 1,190 mg/L KBr and 100 mg/L FD&C Blue #1 under a constant hydraulic head of 8 cm. The types of macropore were: open at both the surface and bottom of the soil column (O–O); open at the surface, closed at the bottom (O–C); and closed at the surface, open at the bottom (C–O). Columns with no macropores served as a control. In the O–O columns the solution reached the bottom 10–50 times faster than in any other treatment, bypassing most of the soil matrix. The presence of an O–C macropore resulted in weak retardation and much deeper penetration of the bromide and FD&C Blue #1 solution than in the control columns. However, the C–O macropore had little effect on either breakthrough curves or solute distributions. In further experiments that considered neighboring macropores effects, an inclined macropore strongly affected solute concentrations in the profile around a nearby vertical macropore. It was concluded that the length, type and position of single macropores, and the presence of neighboring macropores, all affect soil water flow and solute infiltration parameters in a sandy loam soil.     

Assessment of advective–dispersive contaminant transport in heterogeneous aquifers using a meshless method

Groundwater solute transport phenomena typically occur in water-bearing zones with heterogeneous solute dispersive characteristics and/or media hydraulic properties. A radial basis function collocation method (RBFCM)-based numerical method was developed in order to investigate the ability of RBFCM to accurately portray solute transport phenomena under heterogeneous conditions. Simulations were performed for 1-D and 2-D transport scenarios in which scale-dependent dispersivity fields were taken into consideration and compared with available analytical solutions. Different radial basis functions (RBFs) were employed for assessing the sensitivity of the present method on the selected RBFs. The simulation results were also compared with the results of MT3DMS which is a modular three-dimensional transport model with alternative solution schemes including the method of characteristics, the implicit central finite difference and the third order total variation diminishing finite volume. The proposed model was also used to simulate a real case condition where solute transport through a two-layer soil medium had been investigated experimentally. The results showed that RBFCM represented a powerful tool for predicting the solute transport occurrence under heterogeneous conditions with high accuracy.     

注入时间和静水压力对孔隙热储层中Cl-运移影响

迄今为止,注入时间和静水压力对溶质在深层承压地热水中的运移规律影响研究少有报道。通过模拟35℃的低温地热环境,开展了注入时间1,2,3,4,5 h以及静水压力0,6,9 MPa条件下Cl^-的运移柱模拟试验。采用CXTFIT 2.1软件进行数值模拟,探讨了孔隙型热储砂土中Cl^-的运移规律和影响因素。结果表明：在模拟的低温孔隙型热储层中,不同注入时间和静水压力下,Cl^-的运移曲线均呈正态对称分布,一维对流弥散(CDE)模型也可较好地表征其穿透曲线,因此溶质扩散过程符合菲克定律。注入时间的不同,会引起Cl^-的穿透曲线、运移参数发生变化,这与不同注入时间条件下溶质注入总量、柱内溶质浓度差以及分子扩散能力不同有关。在不同静水压力条件下,弥散系数从0 MPa的25.22 cm²/h增加到9MPa的36.13 cm²/h,分子扩散系数、机械弥散系数以及弥散度也随之增大,因此溶质的弥散作用随静水压力的增大而增强。研究结果对于丰富地下水的溶质运移理论具有重要意义。