Coupled Reactive Transport Modeling of Redox Processes in a Nitrate-Polluted Sandy Aquifer

The reactive transport modeling of a complicated suite of reactions apparent in the aquifer during the application of N-containing fertilizers is reported. The unconfined sandy aquifer can be subdivided into an oxic zone which contains groundwater with oxygen and nitrate and an anoxic zone characterized by elevated iron and sulfate concentrations in groundwater. Oxygen and nitrate are being reduced by pyrite and organic matter that commonly apparent in the aquifer. The oxidation of pyrite is modeled using the local equilibrium approach, whereas decomposition of organic matter, with the adoption of kinetic approach. The system is buffered by dissolution of aluminum and iron oxides. The modeling process is a two-step procedure. First, the processes are modeled in the one-dimensional (1D) column using PHREEQC code. Subsequently, the calibrated and verified data were copied and used in two-dimensional (2D) PHAST model. Prior to the performance of reactive transport modeling operations with PHAST, a reliable flow model was executed. Finally, predictions are made for the distribution of water chemistry for the year 2008. Model predicts that sulfate derived from the ongoing pyrite oxidation is reduced by the dissolved organic carbon at the higher depth and forms pyrite by the reaction with iron. The results of this study highlight the importance of understanding the interplay between the transport and chemical reactions that occur during the input of nitrate to the aquifer. Reactive transport modeling incorporating the use of a newly developed code PHAST have proved to be a powerful tool for analyzing and quantifying such interactions.     

Numerical Modelling of Dissolving and Driving Exploitation of Potash Salt in the Qarhan Playa ? A Coupled Model of Reactive Solute Transport and Chemical Equilibrium in a Multi-component Underground Brine System

Firstly, the macroscopic chemical equilibrium state of a series of chemical reactions between intercrystal brine and its media salt layer （salt deposit） in Qarhan Salt Lake was studied by using the Pitzer theory. The concept of macroscopic solubility product and its relation with accumulated ore dissolving ratio were presented, which are used in the numerical model of dissolving and driving exploitation of potassium salt in Qarhan Salt Lake. And secondly, with a model forming idea of transport model for reacting solutes in the multi-component fresh groundwater system in porous media being a reference, a two-dimensional transport model coupled with a series of chemical reactions in a multi-component brine porous system （salt deposits） was developed by using the Pitzer theory. Meanwhile, the model was applied to model potassium/magnesium transport in Qarhan Salt Lake in order to study the transfer law of solid and liquid phases in the dissolving and driving process and to design the optimal injection/abstraction strategy for dissolving and capturing maximum Potassium/ Magnesium in the mining of salt deposits in Qarhan Salt Lake.     

地下水和土壤环境中雌激素运移和归宿的研究进展

环境内分泌干扰物已成为引起全球关注的环境问题;地下水和包气带土壤中雌激素的富集、运移和归宿关系到人类和生态健康。本文通过对环境雌激素的性质、分类、检测方法等方面进行综述,揭示其对生物体乃至环境的多种危害和风险,针对地下水和土壤环境特征分析其迁移转化过程、理解其控制和治理技术方法,进而为降低雌激素的生态和环境风险提供指导。通过论述研究环境雌激素的重要意义,提出对雌激素对地下水系统污染防控可能研究领域进行系统展望。     

Diffusive Reactive Transport of Multicomponent Chemicals Under Coupled Thermal, Hydraulic, Chemical and Mechanical Conditions

This paper presents an investigation of the reactive transport of multicomponent chemicals in clays under coupled thermal, hydraulic, chemical and mechanical framework, considering the diffusion processes in detail. More specifically, combined effects due to the electrochemical and the thermal diffusion potentials are investigated. A theoretical framework for coupling thermal diffusion, i.e. the Soret effect, with electrochemical diffusion in a multi-ionic system is provided. An explicit form of a definition for the thermal diffusion coefficient in a multicomponent chemical transport model is developed. Chemical transport is linked to an advanced geochemical model, PHREEQC (version 2), in order to include chemical reactions. The effects of the combined diffusion potentials on the reactive transport of multicomponent chemicals are investigated by a series of numerical simulations of coupled thermal, hydraulic and chemical behaviour.     

地下水溶质迁移模拟研究进展

在地下水的相关研究中,农药和石油等地下水污染、土地盐碱化、海水入侵等诸多实际问题主要的研究方法都涉及地下水溶质迁移模拟. 相比地下水水流模拟的相对完善,对溶质迁移的模拟比较薄弱且迁移过程本身复杂性较高,目前地下水溶质迁移的研究工作还处在全面发展的阶段. 文中阐述了反映地下水溶质迁移机理和过程的数学模型,综述了溶质迁移模拟在地下水污染物防治、土地盐碱化、海水入侵、石油和放射性废物扩散等问题的诸多应用,归类了目前溶质迁移模拟所使用的对流迁移、对流-弥散模拟等主要数值方法,并对这些方法的优缺点和应用实例做了总结. 最后,分析了目前溶质迁移模拟中存在的不足,展望了未来在参数确定、裂隙介质运移机理和多相介质条件下运移模拟可能取得的突破.     

Sensitivity Analysis of a Combined Groundwater Flow and Solute Transport Model Using Local-Grid Refinement: A Case Study

Combining groundwater flow models with solute transport models represents a common challenge in groundwater resources assessments and contaminant transport modeling. Groundwater flow models are usually constructed at somewhat larger scales (involving a coarser discretization) to include natural boundary conditions. They are commonly calibrated using observed groundwater levels and flows (if available). The groundwater solute transport models may be constructed at a smaller scale with finer discretization than the flow models in order to accurately delineate the solute source and the modeled target, to capture any heterogeneity that may affect contaminant migration, and to minimize numerical dispersion while still maintaining a reasonable computing time. The solution that is explored here is based on defining a finer grid subdomain within a larger coarser domain. The local-grid refinement (LGR) implemented in the Modular 3D finite-difference ground-water flow model (MODFLOW) code has such a provision to simulate groundwater flow in two nested grids: a higher-resolution sub-grid within a coarse grid. Under the premise that the interface between both models was well defined, a comprehensive sensitivity and uncertainty analysis was performed whereby the effect of a parameter perturbation in a coarser-grid model on transport predictions using a higher-resolution grid was quantified. This approach was tested for a groundwater flow and solute transport analysis in support of a safety evaluation of the future Belgian near-surface radioactive waste disposal facility. Our reference coarse-grid groundwater flow model was coupled with a smaller fine sub-grid model in two different ways. While the reference flow model was calibrated using observed groundwater levels at a scale commensurate with that of the coarse-grid model, the fine sub-grid model was used to run a solute transport simulation quantifying concentrations in a hypothetical well nearby the disposal facility. When LGR coupling was compared to a one-way coupling, LGR was found to provide a smoother flow solution resulting in a more CPU-efficient transport solution. Parameter sensitivities performed with the groundwater flow model resulted in sensitivities at the head observation locations. These sensitivities identified the recharge as the most sensitive parameter, with the hydraulic conductivity of the upper aquifer as the second most sensitive parameter in regard to calculated groundwater heads. Based on one-percent sensitivity maps, the spatial distribution of the observations with the highest sensitivities is slightly different for the upper aquifer hydraulic conductivity than for recharge. Sensitivity analyses were further performed to assess the prediction scaled sensitivities for hypothetical contaminant concentrations using the combined groundwater flow and solute transport models. Including all pertinent parameters into the sensitivity analysis identified the hydraulic conductivity of the upper aquifer as the most sensitive parameter with regard to the prediction of contaminant concentrations.     

Permeable Reactive Barrier for Groundwater Pollution Remediation: An Review

As an in situ, simple and passive technology, Permeable Reactive Barrier (PRB) is becoming widely used in groundwater remediation. Based on its definition and development process, the development of PRB can be divided into two stages: The traditional zero-valent iron PRB before 2000 and the PRB composed of novel mixed media after 2000. With the rapid worsening of groundwater pollution, the increasing application of PRB and the rapid development of materials science, the development of PRB technology in future will be mainly focused on the investigation of mixed and novel media, the design of mixed PRBs, the combination of PRB technology with other remediation technology, and the long term monitoring and management of PRB projects.     

地下水渗透反应格栅技术发展综述

面对日益严重的地下水污染,地下水渗透反应格栅技术作为一种原位、简易、被动技术在地下水污染修复中被广泛研究和应用。依据渗透反应格栅技术的定义及发展历程,渗透反应格栅技术的发展大致可以分为2个阶段,即2000年以前的传统零价铁渗透反应格栅阶段和2000年以后的新型复合介质渗透反应格栅阶段。伴随地下水污染形势的日益复杂化,以及渗透反应格栅技术的不断应用和材料科学等其他学科的飞速发展,未来渗透反应格栅技术的发展将主要集中于复合介质与新介质的开发、组合式渗透反应格栅技术的研发、渗透反应格栅技术与其他修复技术的联用以及渗透反应格栅工程的长期监测及管理。     

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。     

高效纤维素降解菌系的构建

筛选出能产生不同纤维素酶的10株纤维素降解菌, 系统地分析了各菌株的EG、CBH和BG酶等3类纤维素酶活.经各菌株优化组合、混合培养, 构建了一组由5株细菌(LCB03、LCB12、LCB52、LCD12和LCD51)组成、能协同作用的复合微生物菌系.经生理生化和分子水平鉴定, 这5株细菌分别为Pseudomonas citronellolis(香茅醇假单胞菌)、Stenotrophomonas malto-philia(嗜麦芽寡食单胞菌)、Pseudomonas aeruginosa(铜绿假单胞菌)、Pseudomonas aeruginosa(铜绿假单胞菌)和Flavobacterium mizutaii(水氏黄杆菌).复合菌系的各菌株可产生不同类型的纤维素酶, 且各类酶可以协同作用有效分解天然纤维素, 在纤维素类污染的治理与资源化利用中具有很好的应用前景.      

地下水流动对砷迁移的影响: 大同盆地试验场的观测与模拟

地下水流动特征对水文地球化学特征具有重要控制作用, 研究分析了大同盆地地下水流动特征对高砷水迁移的影响.以山阴县桑干河南岸地下水试验场(SYFS)的监测数据为基础, 建立了河岸带三维非稳定地下水流模型.结果表明, 灌溉在很大程度上影响着地下水位动态变化.灌溉活动减慢了地下水埋深和水平地下水流速, 加速了不同岩性地层之间的垂向水量交换.粉土(L1、L2、L3和L4)、粘土1(L5)和砂1(L6)之间始终存在由上至下的垂向水量交换, 粘土2(L7)、砂2(L8)、粘土3(L9)和砂3(L10)以水平水量交换为主.灌溉水和大气降水从地表向下垂直入渗至含水层的过程中, 推动了地表和包气带沉积物中的砷逐渐向下迁移; 到达含水层后, 水平交换量占主导, 地下水在水平方向上频繁的水量交换促使As在含水层中发生水平迁移.      

基于实码遗传算法的地下水污染物运移参数反演

介绍了采用实数编码遗传算法优化反演地下水污染物运移参数的基本步骤,不仅求解了弥散系数,而且反演得到了地下水运动速度。算例表明,采用遗传算法———特征有限元离散方法反演地下水污染物运移参数是可行的。     

Degradation of Tetrachloroethene by Several Co-metabolism Substrates in Groundwater

Tetrachloroethene （PCE） is biodegraded by reductive dechlorination with co-metabolism substrates under anaerobic conditions. By inoculating sludge from an anaerobic pool, a biodegradation test of PCE is conducted in the anaerobic condition. In the test, several substrates including methanol, ethanol, formate, acetate, lactate and glucose, are conducive to the conversion from PCE to TCE and 1,1-DCE. The results show the microbe can be cultivated well under the anaerobic circumstances of mixture of sewage （sludge） and soil with the index of COD after eleven days. Degradation of PCE accords with one order reaction kinetics equation. The sequence of the reaction rate constant is Kacetate 〉Kglucose 〉 Klactate 〉 Kethanol 〉 Kformate 〉 Kmethanol, and acetate is an outstanding co-metabolism substratum whose reaction rate constant is 0.6632d^-1.     

电感耦合等离子体质谱法测定地下水中44个元素

采用电感耦合等离子体质谱法(ICP-MS)同时测定地下水中44个元素。结果表明,ICP-MS可同时测定地下水中44个元素,方法检出限为0.002～0.981μg/L,大多数元素的精密度(RSD,n=10)均小于10%,加标回收率在90.0%～110.0%,符合中国地质调查局地质调查技术标准对无机组分测试质量控制的要求。方法应用于直接测定元素浓度范围在ng/L～mg/L级的实际地下水样品,快速、简便,结果准确。     

修复石油类污染地下水的PRB反应介质研究

以石油类污染地下水为研究对象,选用颗粒活性炭、草炭土、粒径为1 mm和3 mm的页岩陶粒、泥岩陶粒、高岭土、聚乙烯醇、细砂和白砂等9种材料进行PRB反应介质筛选及其性能研究。筛选实验结果表明,草炭土去除地下水中总石油烃的效果最好;动态吸附实验结果表明,在吸附1 h时,草炭土去除总石油烃已经达到动态平衡;通过热处理改性,草炭土去除石油烃效果得到提高,在130℃、热处理2 h去除石油烃效果最好;颗分后吸附实验结果表明,在粒径2 mm范围内,草炭土吸附效果均十分显著。在此基础上进行吸附石油烃前后草炭土的微观结构观察及理化性质分析。以上研究表明,草炭土作为PRB反应介质处理石油类污染地下水具有良好的应用前景。     

Speciation Analysis for Iodine in Groundwater Using High Performance Liquid Chromatography-Inductively Coupled Plasma-Mass Spectrometry (HPLC-ICP-MS)

Methods based on high performance liquid chromatography coupled with inductively coupled plasma-mass spectrometry (HPLC-ICP-MS) for iodine speciation analysis are described. Experiments were performed relating to iodine species, preservative medium and time. The concentration and pH of the buffer are also discussed in relation to separation efficiency. The developed methods allowed the fast and sensitive determination of iodine species with detection limits of 0.025 μg l⁻¹ (as 1) for both iodide and iodate with < 5% relative standard deviation (RSD) for 50 nmol l⁻¹. Attempts were made to quantify total organo-iodine by size-exclusion chromatography (SEC). By way of example, a number of groundwater samples were analysed by these methods, revealing that iodide is the main iodine species in the sampled waters, but that high concentrations of organo-iodine compounds were observed in some samples as well. In summary, the total concentration and the dominant species of iodine in aquatic freshwater environments is easily and accurately measured using this new method.     

地下水中三氯乙烯-苯酚的好氧共代谢的实验研究

以苯酚作为三氯乙烯（TCE）降解的共代谢基质,用瓦勃氏微量呼吸测压仪（简称瓦呼仪）作为测试手段,分析了经苯酚驯化后的混合微生物对苯酚、TCE的降解特性;并讨论了以苯酚作为共代谢基质时TCE降解的可能性。实验结果表明：未驯化的活性污泥不能降解TCE; 经苯酚驯化后的活性污泥,当TCE的质量浓度为50 μg/L时其降解效果较好,TCE的氧化率达3369%;TCE的质量浓度为100 μg/L时其降解效果较差,其氧化率仅为3.2%;苯酚和TCE共代谢降解时,苯酚的存在促进了TCE的降解,当苯酚质量浓度为40 mg/L、TCE质量浓度为50 μg/L时共代谢降解效果最好,TCE的氧化率为79.11%。