共查询到19条相似文献，搜索用时 234 毫秒
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PHREEQC在地下水溶质反应-运移模拟中的应用 总被引：7，自引：2，他引：7
由于地下水污染的加剧,对地下水中污染物运移规律的研究日益受到重视。地下水中的溶质在运移过程中伴随着溶质组分间的化学反应,因此需要建立地下水溶质运移与化学反应的耦合模型。PHREEQC是近年来发展起来的描述局部平衡反应、动态生物化学反应的水文地球化学模拟软件。本文利用该模拟软件对一维地下水流动过程中溶质离子交换反应和动态氧化还原反应进行了模拟。结果表明,PHREEQC能够成功地进行溶质运移情况下复杂水化学反应模拟,但对于复杂地下水流和溶质运动的情况,有必要耦合其它的地下水流动和溶质运移软件来共同完成。 相似文献
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利用室内一维饱和垂直土柱对保守性溶质运移和反应性溶质运移分别进行了试验,并用水文地球化学模拟软件PHREEQC模拟了保守性溶质Cl-的运移以及K+、Ca2+、Na+、Mg2+4种主要阳离子的反应运移过程,分析了土壤中发生的离子交换吸附和盐分运移过程,进一步模拟分析了不同入流溶液种类、次序以及有无置换反应情况下出流溶液的差别。结果表明:这些条件的不同均会对出流溶液的种类和浓度产生明显影响,表明水文地球化学反应对地下水中污染物的迁移会产生很大影响,在相关领域的研究中不宜忽略。 相似文献
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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 总被引：1，自引：0，他引：1
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。 相似文献
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波浪会促进海水中溶质向海底沉积物运移,但已有研究大多未考虑海床（海底沉积物）变形效应的影响。为揭示波浪作用下海床土变形对溶质运移过程的影响机制,构建了考虑海床土变形影响的溶质运移计算模型,对波浪作用下溶质向砂质海底沉积物中的运移过程进行模拟。结果表明:海床土变形会增大孔隙水流速,进而增大溶质纵向水动力弥散系数,增强溶质运移的机械弥散作用,促进溶质向沉积物中运移;考虑海床变形时的溶质最大纵向水动力弥散系数可达不考虑海床变形时的8.5倍,约为分子扩散系数的545倍;海床土剪切模量越小,土体变形效应越明显,对溶质运移过程的影响越大;海床土饱和度的降低,会进一步加速波浪作用下溶质向海底沉积物的运移过程。 相似文献
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为了研究岩体裂隙网络中矿物溶解-沉淀的变化规律及其对溶质运移的影响,联合矿物溶解-沉淀动力学模型、渗流模型和溶质运移模型建立了岩体裂隙网络矿物溶解-沉淀-迁移模型,经过水溶液络合物计算和矿物成分分析,对研究区域方解石溶解-沉淀作用及溶质运移进行了数值模拟。得出的结论主要有:(1)受裂隙网络分布的影响,溶质运移分布极不均匀,溶质主要通过连通的裂隙从上游向下游迁移;(2)考虑方解石的溶解-沉淀作用之后,在溶解区域溶质浓度增加,在沉淀区域溶质浓度减少;(3)通过对比分析,可知方解石溶解-沉淀受水溶液中CO23-浓度影响较大。 相似文献
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岩溶区地下水数值模拟研究进展 总被引：2，自引：2，他引：0
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。 相似文献
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土壤中污染物迁移转化规律的数值模拟研究 总被引：2，自引：0，他引：2
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。 相似文献
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土壤中水分和溶质运移一直是土壤-水环境系统中的研究热点,也是目前仍未得到很好解决的问题.将分形理论应用于土壤水分溶质运移机制的研究,探讨其领域中的众多复杂问题,是一种全新的思路和方法.在对土壤结构定量化的分形表征进行简要阐述的基础上,重点介绍了分形理论在水分特征曲线和水力传导度等土壤水分运动基本参数的分形模型、土壤水分运移过程模拟、土壤溶质运移的非费克现象、弥散度的尺度效应以及溶质运移机制研究方面所取得的一系列成果,并就分形理论今后在土壤水分、溶质运移研究中的应用作了展望. 相似文献
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地球化学作用是影响岩土类多孔介质中流体流动、传质、传热的重要因素之一。基于Fredlund所提出的非饱和土四相理论,将地球化学作用所产生的溶解/沉淀视为一个独立相,在一定的假设基础上,利用溶质浓度对介质孔隙度、含水率进行修正,从而建立起传质过程与介质水力性质之间的关系,改进了传统模型中传质过程与流体密度、黏度之间单一的耦合关系;并以此为基础建立了考虑地球化学作用下饱和-非饱和介质中多组分、多相流体渗流场-浓度场-温度场耦合的数学模型。通过在实验室内对反应性煤矸石进行渗透实验的结果对笔者所建模型进行了验证,结果表明：综合考虑溶解作用时所测点处渗流速度与未考虑耦合作用的结果相比增大0.58倍;单独考虑溶解/沉淀相时,所测点处渗流速度与未考虑密度耦合作用时的结果相比增大0.44倍。水流的实际渗透速度与在使用考虑溶解/沉淀相计算模型时的结果吻合较好。 相似文献
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Peter C. Lichtner 《Geochimica et cosmochimica acta》1985,49(3):779-800
A time-space continuum model for transport of hydrothermal fluids in porous media is presented which provides for simultaneous, reversible and irreversible chemical reactions involving liquids, gases and minerals. Homogeneous and heterogeneous reactions are incorporated in the model in a similar fashion through source/sink terms added to the continuity equation. The model provides for moving reaction fronts through surfaces of discontinuity across which occur jump discontinuities in the various field variables satisfying generalized Rankine-Hugoniot relations. Reversible reactions including aqueous complexing, oxidation-reduction reactions, mineral precipitation and dissolution reactions and adsorption are explicitly accounted for by imposing chemical equilibrium constraints in the form of mass action equations on the transport equations. This is facilitated by partitioning the reacting species into primary and secondary species corresponding to a particular representation of the stoichiometric reaction matrix referred to as the canonical representation. The transport equations for the primary species combined with homogeneous and heterogeneous equilibria result in a system of coupled, nonlinear algebraic/partial differential equations which completely describe the evolution of the system in time. Spatially separated phase assemblages are accommodated in the model by altering the set of independent variables across surfaces of discontinuity. Constitutive relations for the fluid flux corresponding to primary species are obtained describing transport of both neutral and charged species by advection, dispersion and diffusion. Numerical implementation of the transport equations is considered and both explicit and implicit finite difference algorithms are discussed. Analytical expressions for the change in porosity and permeability with time are obtained for an assemblage of minerals reacting reversibly with a hydrothermal fluid under quasi-steady state conditions. Fluid flow is described by Darcy's law employing a phenomenological expression relating permeability and porosity. Finally an expression for the local retardation factor of solute species is derived for the case of advective transport in a single spatial dimension which accounts for the effects of homogeneous and heterogeneous equilibria including adsorption on the rate of advance of a reaction front. The condition for the formation of shock waves is given. 相似文献
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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. 相似文献
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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. 相似文献
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`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。 相似文献
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Surface reaction versus diffusion control of mineral dissolution and growth rates in geochemical processes 总被引：2，自引：0，他引：2
The kinetics of chemical reactions at mineral surfaces and the rates of diffusion of species in an aqueous phase are coupled in many geochemical systems. Analytical solutions to equations describing coupled mineral dissolution/growth and solute transport in both transient and steady-state systems are used to delimit regimes of pure reaction control, pure transport control and mixed kinetic control of mass-transfer rates. The relative significance of the two processes depends on the magnitudes of the diffusion coefficients and rate constants as functions of temperature, and the degree of disequilibrium in the system. In addition, the system geometry, the ratio of mineral surface area to diffusion cross-section, and the porosity and tortuosity of the medium through which aqueous species diffuse affect reaction vs. diffusion control. In general, diffusion control increases with increasing temperature and increasing distance over which diffusion occurs. Calculations for the mixed kinetic regime in transient systems demonstrate that the relative significance of diffusion and surface reaction varies with reaction progress, and approaches a limiting value as equilibrium is approached. This limiting value may be appropriate to natural water-rock interactions that occur at conditions that are close to equilibrium. This result permits extension of simple models for irreversible mass transfer in homogeneous systems to systems in which mass-transfer kinetics are controlled by coupled surface reactions and mass transport. Criteria are established for time and length scales and fluid velocity limits on the validity of the continuum hypothesis and the local equilibrium assumption in mass-transport modeling. 相似文献
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典型天然粗粒盐渍土盐胀微观机制分析 总被引：7，自引：0，他引：7
为研究经多次冻融循环后天然粗粒盐渍土的盐胀特性及盐胀机制,对取自甘肃河西走廊地区嘉安一级公路沿线的某天然料场的粗粒盐渍土进行了室内基本工程性质试验和大尺寸多次冻融循环盐胀模型试验,并对经过多次冻融循环试验以后的天然盐渍土进行水盐迁移及扫描电镜分析。试验结果表明,粗粒盐渍土在降温阶段土体产生盐胀后亦会出现下陷,最终土体溶陷量大于盐胀量,冻融循环次数的增加会使粗粒盐渍土大颗粒骨架塌陷破坏及一维土柱体从上而下表现出热筛效应;多次冻融循环后的水分盐分在粗粒土柱剖面中的迁移呈现出不完全对应的分布关系。 相似文献
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大变形黏土防渗层中的污染物迁移和转化规律研究 总被引：1，自引：0，他引：1
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。 相似文献