Movement of contaminants in karstified carbonate rocks

Dynamic flow systems and transport of contaminants in karstic aquifers result from the actions of physical and chemical processes involving aqueous systems containing certain contaminants. These processes are elaborated, and pertinent mathematical and chemical equations are discussed, herein. Contaminant transport in karstic aquifers can be mathematically expressed by the basic equations evaluated primarily for the flow in porous, highly permeable aquifers. The effects of advection, hydrodynamic dispersion, and dilution are elaborated as physical processes that effect the movement of contaminants through groundwater in permeable rocks. Physical and chemical mechanisms that govem contaminant movement and groundwater flow through fractured media are proposed as the basis of an approximate scenario of contaminant transport through karstified carbonate rocks.     

Effect of chemical reactions on the hydrologic properties of fractured and rubbelized glass media

Understanding the effect of chemical reactions on the hydrologic properties of geological media, such as porosity, permeability and dispersivity, is critical to many natural and engineered sub-surface systems. Influence of glass corrosion (precipitation and dissolution) reactions on fractured and rubbelized (crushed) forms HAN28 and LAWBP1, two candidate waste glass forms for a proposed immobilized low-activity waste (ILAW) disposal facility at the Hanford, WA site, was investigated. Flow and tracer transport experiments were conducted using fractured and rubbelized forms, before and after subjecting them to corrosion using vapor hydration testing (VHT) at 200 °C temperature and 200 psig pressure, causing the precipitation of alteration products. Data were analyzed using analytical expressions and CXTFIT, a transport parameter optimization code, for the estimation of the hydrologic characteristics before and after VHT. It was found that glass reactions significantly influence the hydrologic properties of ILAW glass media. Hydrologic properties of rubbelized glass decreased due to precipitation reactions, whereas those of fractured glass media increased due to reaction which led to unconfined expansion of fracture aperture. The results are unique and useful to better understand the effect of chemical reactions on the hydrologic properties of fractured and rubbelized stony media in general and glass media in particular.     

Hybrid analytical and finite element numerical modeling of mass and heat transport in fractured rocks with matrix diffusion

Quantification of mass and heat transport in fractured porous rocks is important to areas such as contaminant transport, storage and release in fractured rock aquifers, the migration and sorption of radioactive nuclides from waste depositories, and the characterization of engineered heat exchangers in the context of enhanced geothermal systems. The large difference between flow and transport characteristics in fractures and in the surrounding matrix rock means models of such systems are forced to make a number of simplifications. Analytical approaches assume a homogeneous system, numerical approaches address the scale at which a process is operating, but may lose individual important processes due to averaging considerations. Numerical stability criteria limit the contrasts possible in defining material properties. Here, a hybrid analytical–numerical method for transport modeling in fractured media is presented. This method combines a numerical model for flow and transport in a heterogeneous fracture and an analytical solution for matrix diffusion. By linking the two types of model, the advantages of both methods can be combined. The methodology as well as the mathematical background are developed, verified for simple geometries, and applied to fractures representing experimental field conditions in the Grimsel rock laboratory.     

基于离散裂隙网络模型的核素粒子迁移数值模拟研究

高放废物地质处置过程中涉及的核素在围岩裂隙地下水中的迁移问题已引起广泛关注,数值模拟是研究核素粒子运移的重要方法。目前裂隙介质中渗流模型主要是等效连续介质模型、双重介质模型和离散裂隙网络模型。对于岩体尺度裂隙地下水的流动,离散裂隙网络模型能充分表现裂隙介质的各向异性、不连续性等特征。因此,针对裂隙介质准确概化及核素迁移模拟等难点,文章结合Monte Carlo随机生成裂隙方法、裂隙渗流有限元算法和高放射性核素衰变方程等方法,依据花岗岩深钻孔裂隙统计数据,采用离散裂隙网络模型对内蒙古阿拉善高放废物地质处置预选区展开了核素粒子迁移数值模拟研究,并讨论了实例预测分析结果。结果显示:针对设定的地质模型,核素粒子从中心运移到边界的迁移路径长度平均为1293.35 m,粒子运移到边界耗费的时间平均为1.70E+11 d。     

Precipitation of calcium carbonate and calcium phosphate under diffusion controlled mixing

Multi-component mineral precipitation in porous, subsurface environments is challenging to simulate or engineer when in situ reactant mixing is controlled by diffusion. In contrast to well-mixed systems, the conditions that favor mineral precipitation in porous media are distributed along chemical gradients, which evolve spatially due to concurrent mineral precipitation and modification of solute transport in the media. The resulting physical and chemical characteristics of a mixing/precipitation zone are a consequence of coupling between transport and chemical processes, and the distinctive properties of individual chemical systems. We examined the spatial distribution of precipitates formed in “double diffusion” columns for two chemical systems, calcium carbonate and calcium phosphate. Polyacrylamide hydrogel was used as a low permeability, high porosity medium to maximize diffusive mixing and minimize pressure- and density-driven flow between reactant solutions. In the calcium phosphate system, multiple, visually dense and narrow bands of precipitates were observed that were reminiscent of previously reported Liesegang patterns. In the calcium carbonate system, wider precipitation zones characterized by more sparse distributions of precipitates and a more open channel structure were observed. In both cases, formation of precipitates inhibited, but did not necessarily eliminate, continued transport and mixing of the reactants. A reactive transport model with fully implicit coupling between diffusion, chemical speciation and precipitation kinetics, but where explicit details of nucleation processes were neglected, was able to qualitatively simulate properties of the precipitation zones. The results help to illustrate how changes in the physical properties of a precipitation zone depend on coupling between diffusion-controlled reactant mixing and chemistry-specific details of precipitation kinetics.     

离散裂隙渗流方法与裂隙化渗透介质建模

流体渗流模拟的连续介质方法通常适用于多孔地质体，并不一定适用于裂隙岩体，由于裂隙分布及其特征与孔隙差异较大。若流体渗流主要受裂隙的控制，对于一定尺寸的裂隙岩体，多孔介质假设则较难刻划裂隙岩体的渗流特征。离散裂隙渗流方法不但可直接用于模拟裂隙岩体非均质性和各向异性等渗流特征，而且可用其确定所研究的裂隙岩体典型单元体及其水力传导（渗透）张量大小。主要讨论了以下问题：（1）饱和裂隙介质中一般的离散流体渗流模拟；（2）裂隙岩体中的REV（典型单元体）及其水力传导（渗透）张量的确定；（3）利用离散裂隙网络流体渗流模型研究裂隙方向几何参数对水力传导系数和REV的影响；（4）在二维和三维离散裂隙流体渗流模型中对区域大裂隙和局部小裂隙的处理方法。调查结果显示离散裂隙流体渗流数学模型可用来评价不同尺度上的裂隙岩体的水力特征，以及裂隙方向对裂隙化岩体的水力特征有着不可忽视的影响。同时，局部小裂隙、区域大裂隙应当区别对待，以便据其所起的作用及水力特征，建立裂隙化岩体相应的流体渗流模型。     

模拟裂隙多孔介质中变饱和渗流的广义等效连续体方法

描述了一种计算裂隙多孔介质中变饱和渗流的广义等效连续体方法。这种方法忽略裂隙的毛细作用,设定一个与某孔隙饱和度相对应的综合饱和度极限值,并假定：（1）如果裂隙多孔介质的综合饱和度小于该极限值,水只在孔隙中存在并流动,而裂隙中则没有水的流动;（2）如果综合饱和度等于或大于该极限值,水将进入裂隙,并在裂隙内运动。分析比较了等效连续体模型的不同计算方法,并给出了一个模拟裂隙岩体中变饱和渗流与传热耦合问题的应用算例。结果表明,所述方法具有一般性,可以有效地模拟裂隙多孔介质中变饱和渗流的基本特征。     

断裂多孔岩石中的复杂反应流体动力学

:断裂多孔介质中的流体流动和组分输运过程对于理解金属成矿过程、油气运移、污染物质的输运和分布十分重要 ,近 2 0年来得到了广泛的研究。文中综述了这一领域的进展 ,涉及断裂多孔介质中的流体流动和组分输运的连续介质模型、多孔介质和断裂多孔介质的渗透率关系 ,特别是重点介绍了渗滤理论及其在断裂多孔介质中的流体流动和组分输运中的应用     

Influence of flow velocity on conservative solute transport in sets of parallel fractures with fracture skin

Analysis of contaminant transport through fractured crystalline rocks has received considerable attention, particularly with regard to subsurface nuclear waste repositories. Most of the studies have employed the dual continuum approach, with the fractures and the rock matrix as the two continuums, assuming that fractures control the overall conductivity of the rock and the porous matrix just provides storage. However, field observations of rock fractures have shown that the real situation can be very complex. Based on some recent investigations, it has been reported that the portion of the rock matrix adjacent to many open fractures is physically and chemically altered. These alterations, referred to as the fracture skin, can have different sorption and diffusion properties compared to those of the undisturbed rock matrix and this may influence the transport of solutes through such formations. In the present study, a numerical model is developed to simulate conservative solute transport in a fractured crystalline rock formation using the triple continuum approach ?? with the fracture, fracture skin and the rock matrix as the three continuums. The model is solved using a fully implicit finite difference scheme. Contaminant migration in the fractured formation with and without skin has been simulated. It is observed that contaminant penetration along the fracture is enhanced at large flow velocities. The effect of flow velocity on conservative solute transport is investigated for different fracture apertures and fracture skin thicknesses. The influence of flow velocity on contaminant transport is demonstrated to be more with change in fracture aperture than with change in skin thickness.     

Fluorite deposition in hydrothermal systems

During the formation of fluorite deposits fluorite is precipitated either as a consequence of changes in temperature and pressure along the flow path of hydrothermal solutions or due to fluid mixing, or as the result of the interaction of hydrothermal solutions with wall rocks.A decrease in temperature in the flow direction is the most appealing, though still unproven, mechanism of fluorite deposition in Mississippi Valley fluorite deposits.Mixing can produce solutions which are either undersaturated or supersaturated with respect to fluorite. The most important parameters are the temperature, the salinity, and the calcium and fluoride concentration of the fluids prior to mixing.A variety of wall rock reactions can lead to fluorite precipitation. Among these reactions which increase the pH of initially rather acid (pH ≤ 3) hydrothermal solutions are apt to be particularly important.     

Review: The state-of-art of sparse channel models and their applicability to performance assessment of radioactive waste repositories in fractured crystalline formations

Laboratory and field experiments done on fractured rock show that flow and solute transport often occur along flow channels. ‘Sparse channels’ refers to the case where these channels are characterised by flow in long flow paths separated from each other by large spacings relative to the size of flow domain. A literature study is presented that brings together information useful to assess whether a sparse-channel network concept is an appropriate representation of the flow system in tight fractured rock of low transmissivity, such as that around a nuclear waste repository in deep crystalline rocks. A number of observations are made in this review. First, conventional fracture network models may lead to inaccurate results for flow and solute transport in tight fractured rocks. Secondly, a flow dimension of 1, as determined by the analysis of pressure data in well testing, may be indicative of channelised flow, but such interpretation is not unique or definitive. Thirdly, in sparse channels, the percolation may be more influenced by the fracture shape than the fracture size and orientation but further studies are needed. Fourthly, the migration of radionuclides from a waste canister in a repository to the biosphere may be strongly influenced by the type of model used (e.g. discrete fracture network, channel model). Fifthly, the determination of appropriateness of representing an in situ flow system by a sparse-channel network model needs parameters usually neglected in site characterisation, such as the density of channels or fracture intersections.     

Permeability and stress in crystalline rocks

Groundwater from crystalline rocks is a significant resource in many areas of the world. It is also an important medium for contaminant transport from, for example, deep nuclear waste repositories. Stress distributions in fractured rocks are important in controlling groundwater flow in several ways: (i) palaeostress fields are responsible for the evolution of fracture systems which transmit groundwater; (ii) current in situ stress fields will influence the shape and aperture of fractures; (iii) humans can influence the natural stress field in a rock mass to enhance fracture flows. The significance of stresses for groundwater flow can be investigated by field techniques (hydraulic fracturing), laboratory techniques (stress cells) or by numerical modelling.     

深井地下灌注数值模型SWIFT

深井地下灌注是一种有效处理工业废液的方法,随着认识的不断深入和技术的不断提高,将成为未来我国对难处理、高毒性废液实行最终处理的重要选择之一。SWIFT数值模型能够同时模拟灌注层中水流运动、热量运移、盐分运移和放射性核素运移过程,并且能够充分考虑深部灌注层高温高压等特殊地质环境。其多方面的模拟功能不但适用于深井灌注的数值模拟,还可用于海水入侵、高放射性核废料填埋的模拟分析。在美国,该数值模型已经被用于多个深井灌注项目的数值模拟。对SWIFT进行了较全面的介绍,并指出该模型使用过程中应特别注意的几个问题。     

Evaluation of retention properties of a semi-synthetic fractured block from modelling at performance assessment time scales (Äspö Hard Rock Laboratory, Sweden)

Modelling of radionuclide transport in fractured media is a primary task for safety evaluation of a deep nuclear waste repository. A performance assessment (PA) model has been derived from site characterization data with the aim of improving confidence for quantifying transport of sorbing radionuclides at a safety time scale of 10⁶ y. The study was conducted on a 200?×?200?×?200 m semi-synthetic fractured block, providing a realistic system derived from the Äspö Hard Rock Laboratory (Sweden) dataset. The block includes 5,632 fractures ranging from 0.5 to 100 m in length and a heterogeneous matrix structure (fracture coating, gouge, mylonite, altered and non-altered diorite). The PA model integrates steady-state flow conditions and transport of released radionuclides during the safety time scale. An original simulation method was developed involving Eulerian flow and transport within fracture planes with a mixed hybrid finite element scheme and a semi-analytical source term to account for heterogeneous matrix diffusion. Total mass flux of radionuclides (conservative to strongly sorbing) was computed. A method to simplify the system was demonstrated, leading to a major path of 12 fractures. This is mainly due to the low connectivity of the fracture network. Matrix diffusion and sorption proved to have major impact on block retention properties for PA conditions.     

Characterization of fracture connectivity in a siliciclastic bedrock aquifer near a public supply well (Wisconsin, USA)

In order to protect public supply wells from a wide range of contaminants, it is imperative to understand physical flow and transport mechanisms in the aquifer system. Although flow through fractures has typically been associated with either crystalline or carbonate rocks, there is growing evidence that it can be an important component of flow in relatively permeable sandstone formations. The objective of this work is to determine the role that fractures serve in the transport of near-surface contaminants such as wastewater from leaking sewers, to public supply wells in a deep bedrock aquifer. A part of the Cambrian aquifer system in Madison, Wisconsin (USA), was studied using a combination of geophysical, geochemical, and hydraulic testing in a borehole adjacent to a public supply well. Data suggest that bedrock fractures are important transport pathways from the surface to the deep aquifer. These fractured intervals have transmissivity values several orders of magnitude higher than non-fractured intervals. With respect to rapid transport of contaminants, high transmissivity values of individual fractures make them the most likely preferential flow pathways. Results suggest that in a siliciclastic aquifer near a public supply well, fractures may have an important role in the transport of sewer-derived wastewater contaminants.     

非饱和裂隙岩体渗流的统计模型研究方法

常规方法研究非饱和裂隙介质往往采用宏观连续体的概念,然而现场试验证明,非饱和裂隙岩体中的渗流具有相当的非均质性。天然裂隙岩体的非饱和渗流是发生在三维裂隙网络中的多场非等温流,要在不完整的信息基础上刻画和表现介质的不均匀性,通常借助随机模拟的手段。将三维裂隙系统近似为概化的二维非均匀多孔介质的二维平面裂隙。采用模拟退火法将取自各种来源的信息资料通过建立适当的目标函数汇集至模型之中,以此模拟裂隙的空间特征。     

Hydrogeochemical Evaluation of Heavy Metal Loadings to Waters and Sediments by Leachate: A Case Study from the Golbasi Waste Disposal Site,Ankara, Turkey

At sites of groundwater contamination, predictions of contaminant behavior and evaluation of remedial strategies depend on identification and characterization of the geochemical processes affecting contaminant migration. Heavy-metal loadings to waters and sediments by leachate from the Golbasi waste disposal site in Ankara, Turkey, have been evaluated quantitatively using hydrogeochemical modeling. The groundwater of the waste disposal area, characterized by high concentrations of Ca, K, Cl, Cd, Pb, Zn, Cu, B, Ni, SO₄, and NO₃, contaminates the waters and sediments in the down-gradient area, Eymir Lake and a swamp along the flow path. An advective mass transport duration is ～15 years for unretarded contaminants to move from the waste disposal well area to the southern shoreline of Eymir Lake. Mixing calculations suggest that the down-gradient groundwater is formed by mixing of 40 to 72% upgradient groundwater and 28 to 60% waste-disposal-area groundwater, as well as Eymir Lake surface-water ion concentrations formed by mixing of down-gradient groundwater (3%-25%) and swamp-water ion concentrations (75-97%) along the flow path. An evaluation of the changes in concentration of trace ion-related precipitation/dissolution and exchange reactions between water and sediments for the formation of both Eymir Lake surface-water composition and the down-gradient groundwater composition indicate considerable trace-ion content of the clays (exchangers) and related reactions in the system. These results suggest that the amounts of contaminants removed from or added both to the down-gradient groundwater and to surface waters through mixing, dilution, and evaporation processes are rather small. The amounts of ions in the waters at the present stage of the contamination process are predominantly governed by exchange and dissolution/precipitation reactions.     

Geologic, hydrologic, and geochemical interpretations of mineral deposits as analogs for understanding transport of environmental contaminants

Base- and precious-metal mineral deposits comprise anomalous concentrations of metals and associated elements, which may be useful subjects for study as analogs for migration of environmental contaminants. In the geologic past, hydrothermal mineral deposits formed at the intersection of favorable geologic, hydrologic and geochemical gradients. In the present, weathering of these sulfide-rich deposits occurs as a result of the interplay between rates of oxygen supply versus rates of ground or surface-water flow. Transport and spatial dispersion of elements from a mineral deposit occurs as a function of competing rates of water flow versus rates of attenuation mechanisms such as adsorption, dilution, or (co)precipitation. In this paper we present several case studies from mineralized and altered sedimentary and crystalline aquifers in the western United States to illustrate the geologic control of ground-water flow and solute transport, and to demonstrate how this combined approach leads to a more complete understanding of the systems under study as well as facilitating some capability to predict major flow directions in aquifers.     

Numerical modelling of Alpine deep flow systems: a management and prediction tool for an exploited geothermal reservoir (Lavey-les-Bains, Switzerland)

The geothermal site of Lavey-les-Bains, Switzerland is an Alpine deep flow system in fractured crystalline rocks. Groundwater analyses since 1973 reveal a mixing process between a deep warm component (68°C and TDS 1.4 g/L) and cold shallow water. The production rate of the new deep well P600, installed in 1997, has amplified this mixing process in well P201, for which a decline in temperature and TDS has been observed. Numerical hydrogeological two-dimensional and three-dimensional models of heat, flow and mass transport have been developed to reproduce the geothermal system and to forecast the long-term exploitation potential of the geothermal resource. The computed temperature of the deep inferred reservoir (100–130°C) is in agreement with the geothermometers, whereas the simulated thermal water flux (5,400–9,000 m³/day) is probably underestimated. Different fluid production scenarios can reproduce the decline and stabilization phases of temperatures in the geothermal field since 1997. For P201, the mixing ratio calculated before and during the exploitation of P600 is comparable with observed data; the modelled temperature tends towards stabilization in P201 at 56°C after 10–15 years of production at P600. Another proposed new well is likely to reduce the thermal output of the existing wells.     

非均质介质中地下水流动与溶质运移模拟——问题与挑战

对大空间尺度和长时间跨度的地下水流动及污染物质运移进行预测的需求, 使水文地质研究面临异乎寻常的挑战.这些需求来自于对核废料地质储放方法的安全性评价、地下水污染状况评价及其治理方案的选择.流动系统的非均质性是地下水流动及物质运移模拟中最主要的困难之一, 这种困难来自对非均质系统进行特征描述(通过原位观测实现)、概念化及模拟.评述了非均质介质中流动运移模拟的一些重要问题与挑战, 讨论了解决的途径.讨论的主题包括: 动力流动的沟道化, 示踪剂穿透曲线, 裂隙岩石中流体流动的多尺度, 观测的不同尺度, 模拟、预测与非均质性以及系统特征描述和预测性模拟的分析.