加标/顶空平衡法测定实验水中甲烷亨利常数

水中溶存甲烷含量是水环境与资源调查的重要指标之一.目前实验室测量该项指标时,通常是利用甲烷在水中的理论亨利常数.而甲烷在不同类型水中的亨利常数并不相同,若追求更高精度的测量,需要先行测定甲烷的亨利常数.本文以实验原液水中溶解甲烷为主要研究对象,提出测定原液水中甲烷亨利常数的加标/顶空平衡法.研制了气液平衡配液装置,研究了5 L封闭体系的气液平衡时间.系统推导了气液等体积和非等体积情况下,根据气相甲烷浓度和不同平衡体系的MaddV求解甲烷亨利常数的关系式.并利用该方法实测出1个大气压25℃时实验原液水的甲烷亨利常数为64226792 Pa·L/mol,最后通过MCH4addV与MaddV比较法对实验结果进行了验证.     

非饱和土中水流入渗和气体排出过程的求解

采用孔隙介质力学分析方法,把土体骨架、孔隙水和孔隙气分别作为独立的研究对象,结合孔隙水和孔隙气在气液交界面上满足的力学条件建立耦合方程,求解非饱和土中孔隙水的入渗和孔隙气体的排出过程。对标准砂进行的一维有压水流入渗试验和计算表明,孔隙气的排出过程影响孔隙水的渗流运动。数值计算与试验结果拟合较好。     

层状非均质结构包气带入渗过程单相流与两相流数值模拟对比研究

包气带水分入渗过程受多种因素的影响。定量研究层状非均质岩性结构和入渗速率对其影响,有助于解决根据不同条件选择单相流模型或水气二相流模型模拟包气带水分入渗过程的问题。结合填埋场等场地地层条件及污废水入渗特征,分别建立了“上细下粗”和“上粗下细”包气带层状非均质岩性结构水分入渗单相流和水气二相流模型,探讨不同层状非均质岩性结构条件下模型的适用性。在“上粗下细”岩性结构模型基础上,进一步探究入渗速率对水气两相运移结果的影响。基于论文模型研究表明:（1）在包气带岩性结构为“上细下粗”的条件下,气相的影响基本可以忽略,可直接采用单相流模型对包气带水分运移进行模拟;在“上粗下细”岩性结构和本次模型设定的底部压力保持不变及污废水泄漏前场地未接受降水入渗补给等条件下,当包气带上下层介质渗透率比值大于16倍时,气相会对水相运移产生明显影响,且下层介质渗透率越小、上下层介质渗透率比值越大,单相流与两相流的运移结果差别越大,需要采用水气二相流模型模拟包气带水分运移。（2）在包气带“上粗下细”岩性结构条件下,入渗速率越大,气相对水流入渗的阻滞作用越明显,此时包气带水分运移模拟应采用水气二相流模型。     

考虑气-液交界面的非饱和土有效应力公式

在本构关系中如何确定有效应力是非饱和土力学界的重要课题之一。将非饱和土简化为气、液、固三相及其交界面组成的集合体。基于热力学原理,在Helmholtz自由能中考虑力-水耦合特性,将各相及其交界面的质量、动量、能量、熵守恒方程及相应的限制条件与自由能函数的物质导数联立代入熵不等式,根据该不等式适用所有热力学状态的条件推导出考虑气-液交界面面积密度的有效应力公式,并在利用该公式确定有效应力参数时将气-液交界面的面积密度表示为基质吸力与饱和度的函数。最后,利用已有文献中3种土的多阶段减、增湿三轴剪切试验结果,验证了该有效应力参数表达式相较于已有文献表达式在描述干湿循环下有效应力参数与基质吸力关系时的优势。     

基于hydrus和modflow在化工园区地下水污染预测

以山西省孝义市某化工园区为研究区域,建立水文地质概念模型和数学模型。应用HYDRUS-1D软件,模拟源强连续注入状态下污染物穿透包气带所用的时间。利用Visal Modflow,建立地下水流模型和溶质运移模型,模拟预测污染物进入地下水后对地下水环境的影响,通过模拟实现了土壤包气带—地下水系统运移模拟与污染评价的耦合,是对传统污染物迁移预测分析方法的改良和完善。研究结果表明,污染物大约590 d左右穿透包气带进入地下水,10 a后影响面积达到80~90 hm~2,园区建设将对地下水环境造成较大污染,应做好防治措施。     

水气二相渗流耦合模型及其应用

本文建立了非饱和带水气二相渗流的耦合模型,并采用IMPES(隐式求解压力方程,显式求解饱和度)求解方法对该模型进行了求解。在此基础上,将该模型应用于沁水盆地TL煤层气井水气运移、产出的模拟计算,利用该井1999年2月9日～5月6日的水气排采资料,通过历史拟合计算,对影响该井水气产量的主要参数(如渗透率、表皮系数、相对渗透率等)进行了校正、识别,预测了该井未来20年的水气产量动态变化特征。     

南海北部神狐区域 SH2 站位甲烷水合物成藏动力学模拟研究

南海北部神狐区域海底的高丰度水合物储层与生物成因为主的甲烷气源表明该区域很可能是一种特殊的复合型海洋水合物系统,其成藏动力学机制有待进一步的研究和澄清。建立了一个耦合沉积层地质属性-流体流动过程-水合物反应动力学的传输-反应模型,区别了两种不同类型的水合物形成(分解)动力学过程:(1)在通常情况下溶解甲烷和游离气共同形成水合物,(2)特殊情况下游离气直接生成水合物,结果表明在神狐海域热力学环境下游离气形成水合物速度比溶解甲烷快约4倍,气体含量和动力学常数比值越大生成水合物越快,而对比水合物分布的模拟结果与实测数据表明该区域水合物储层聚集和产状很可能受到了其他地质活动的影响。     

填埋场中气体运移的非稳定耦合渗流数学模型

基于多孔介质渗流力学和流固耦合理论，建立了填埋场内挥发性气体在土壤中迁移气－固耦合数学模型，并根据数学模型的非线性特征，采用摄动法求出模型的拟解析解。通过解析求解研究了挥发性气体在土壤中耦合与非耦合渗流情况下孔隙压力分布动态特征，为预测和预报挥发性气体在土壤中的扩散状况，以及对环境污染的治理，控制污染的扩散理论了理论依据。     

危废渣库高浓度氟化物在非均质含水层中的迁移模拟分析

近年来,随着水电铝技术的发展,国际先进水平的400ka系列铝电解槽工艺技术已成为水电铝项目的核心技术。水电铝项目中电解槽渣含有大量氟化物,是典型的危险废物,危废渣库防渗及泄漏问题成为了地下水污染防治及保护的重点。本文以某水电铝厂区危废渣库地下水环境影响评价为例,通过对研究区进行水文地质调查及分析基础上,建立研究区渗流模型及污染物迁移模型,在此基础上设定不同情景并模拟不同防渗条件下危废渣库泄漏的污染羽状物迁移情况。研究结果表明高浓度氟化物迁移方向及扩散面积主要受含水层非均质性、危废渣库泄漏持续时间及防渗效果等因素的影响。     

水流入渗和气体驱替过程二维问题的耦合求解

采用孔隙介质力学分析方法,把土体骨架、孔隙水和孔隙气体分别作为独立的研究对象,结合孔隙水和孔隙气体在气、液交界面上的力学条件建立耦合方程,研究非饱和土中孔隙水的入渗和孔隙气体的排出过程,为水流入渗问题的求解提供了一种新的方法。将此种方法应用于二维水流入渗问题的数值求解,利用简单的工况校验了这种计算方法的可靠性。通过对砂体和粉煤灰断面进行的二维水流入渗计算表明,孔隙气体的排出过程影响孔隙水的入渗运动。     

Enhanced CE-QUAL-W2 model to predict the fate and transport of volatile organic compounds in water body: Gheshlagh reservoir as case study

Intentional and/or accidental volatile organic compound (VOC) spill into water bodies may lead to severe contamination and health problems in water infrastructures. The importance and widespread use of petroleum products and the threats posed by these products on surface water resources in Iran necessitates the access to numerical hydrodynamic and water quality simulation models with appropriate capabilities. Simulation the fate and transport of VOC in both flowing and standing water bodies is a fairly complex problem. In this research, CE-QUAL-W2 model is modified to simulate the fate and transport of VOC [i.e., Methyl tert-butyl ether (MTBE), benzene] in standing and flowing water bodies. The performance of the modified CE-QUAL-W2 model is evaluated in a MTBE pollution spill at Khalife-Tarkhan river along the headwaters of Gheshlagh reservoir, Kordestan, Iran. The results show the modified CE-QUAL-W2 model’s capability to depict the spatial and temporal variation of MTBE in comparison with recorded data from MTBE spill event of Gheshlagh reservoir. Based on the simulation results of modified CE-QUAL-W2 model, reservoir cleanup time in different meteorological and hydrological scenarios is evaluated. The results show Gheshlagh reservoir cleanup time reduced in scenarios that included air temperature reduction, wind speed increasing, and high inflow condition.     

Modeling of air stripping from volatile organic compounds in biological treatment processes

The removal of volatile organic compounds from biological treatment processes occurs through several mechanisms. These include biodegradation, adsorption onto solids, and air stripping or volatilization to the atmosphere. Volatilization results in fugitive emissions to the atmosphere, which is largely uncontrolled. Recent regulations have called for increased evaluation and control of inadvertent volatile organic compounds emissions from treatment processes. The use oxygen as a parallel volatile compound is extremely useful for prediction of volatile organic compounds removal by air stripping. In this study, the simultaneous biodegradation and air stripping of volatile organic compounds, based on steady state mass balance are examined and a general approach to estimating the dominant removal mechanism is developed. A Monte Carlo simulation technique was used to estimate air stripping over a wide range of operating conditions. Several volatile organic compounds were selected for this study. The results showed the values drived from the model correspond with the experimental data for benzene, toluene, methylene chloride, trichloroethylene, and methyl isobutyl ketone.     

A compartment model for the mass transfer inside a conventional flotation cell

A model is developed by taking into account the simultaneous mechanisms of true flotation and entrainment in a conventional flotation cell. The total volume of the cell is divided into three compartments: pulp collection zone, pulp quiescent zone and froth region, with the mechanisms being modeled as occurring at the same time but originating at different places: true flotation from the collection zone and entrainment from the quiescent one. A particle is referred to as suspended in water or attached to an air bubble, depending upon its original state before crossing the pulp–froth interface (whether or not it remains in that state all the way to the concentrate launder). The model is obtained by solving a set of equations describing the mass conservation of solids and water between adjacent compartments. The principal mass transfer factors are identified as: the flotation rate constant, the mean residence time in the collection zone, the froth recovery of attached particles, the degree of entrainment through the froth and the water recovery from the feed to the concentrate. The development presented here allows the intricate nature of the mass transfer in a flotation cell to be reduced to one single equation, overcoming the need of numerical methods for simulation purposes. Moreover, it is shown that reliable prediction of grade and recovery can be obtained without detailed information on the pulp hydrodynamics or on any froth sub-process either than drainage, bubble bursting and bubble coalescence.     

裂隙岩体渗流耦合传热分析

以地下裂隙岩体在裂隙水—孔隙水和温度场之间耦合作用为研究对象,对热和流体流动控制方程采用有限容积数值方法进行离散求解,设置了六种裂隙水—孔隙水流速方案,给出了部分无量纲温度场,并分析了传热与流动原因。分析结果表明：岩体内裂隙水—孔隙水引发的热质迁移对裂隙岩体的温度场分布有重要影响;当裂隙岩体内发生地下裂隙水—孔隙水渗流、及热量的转移时,会产生渗流场、温度场之间的耦合作用;裂隙内水流渗透速度是影响岩体温度的主要因素,孔隙内水流渗透速度是影响岩体温度的次要因素,温差主要发生在裂隙水边界层处。     

Finite element modelling of transport of organic chemicals through soils

Aquifer contamination by organic chemicals in subsurface flow through soils due to leaking underground storage tanks filled with organic fluids is an important groundwater pollution problem. The problem involves transport of a chemical pollutant through soils via flow of three immiscible fluid phases: namely air, water and an organic fluid. In this paper, assuming the air phase is under constant atmospheric pressure, the flow field is described by two coupled equations for the water and the organic fluid flow taking interphase mass transfer into account. The transport equations for the contaminant in all the three phases are derived and assuming partition equilibrium coefficients, a single convective – dispersive mass transport equation is obtained. A finite element formulation corresponding to the coupled differential equations governing flow and mass transport in the three fluid phase porous medium system with constant air phase pressure is presented. Relevant constitutive relationships for fluid conductivities and saturations as function of fluid pressures lead to non-linear material coefficients in the formulation. A general time-integration scheme and iteration by a modified Picard method to handle the non-linear properties are used to solve the resulting finite element equations. Laboratory tests were conducted on a soil column initially saturated with water and displaced by p-cymene (a benzene-derivative hydrocarbon) under constant pressure. The same experimental procedure is simulated by the finite element programme to observe the numerical model behaviour and compare the results with those obtained in the tests. The numerical data agreed well with the observed outflow data, and thus validating the formulation. A hypothetical field case involving leakage of organic fluid in a buried underground storage tank and the subsequent transport of an organic compound (benzene) is analysed and the nature of the plume spread is discussed.     

地表水污染源识别方法研究进展

地表水污染源的准确识别对于突发水污染事件中制定补救策略、确定责任方具有重要的指导意义。从污染源识别的基本问题出发,综述了地表水污染源识别的两类方法,一类是数学模拟法,包括直接求解法和间接求解法,直接求解法又包括解析法和正则化方法,间接求解法又包括模拟优化法、概率统计法及耦合算法;另一类是足迹分析法。在此基础上,系统地讨论了污染源识别的不确定性,包括污染源信息、观测数据、地表水模型、水动力条件、污染物性质5个方面。并指出地表水污染源识别的不确定性和时效性是制约其应用价值的关键因素,需要在方法耦合、识别效率提高、不确定性分析及污染物性质等方面做进一步的研究。     

地表水污染源识别方法研究进展

地表水污染源的准确识别对于突发水污染事件中制定补救策略、确定责任方具有重要的指导意义。从污染源识别的基本问题出发,综述了地表水污染源识别的两类方法,一类是数学模拟法,包括直接求解法和间接求解法,直接求解法又包括解析法和正则化方法,间接求解法又包括模拟优化法、概率统计法及耦合算法;另一类是足迹分析法。在此基础上,系统地讨论了污染源识别的不确定性,包括污染源信息、观测数据、地表水模型、水动力条件、污染物性质5个方面。并指出地表水污染源识别的不确定性和时效性是制约其应用价值的关键因素,需要在方法耦合、识别效率提高、不确定性分析及污染物性质等方面做进一步的研究。     

大坝泄洪下游水体溶解气体超饱和理论分析及应用

根据溶解气体的传输过程,对大坝泄洪导致下游水体溶解气体浓度超饱和现象进行了理论分析.引入溶解气体的有效饱和浓度、气泡被卷吸进入水体的有效水深等参数,认为下游水体中溶解气体的来源不仅依赖于大气在自由水表面的传质,而更多地依赖于气体在气泡界面的传质.把难以测量的气体传质系数、气泡尺寸等参数与水流的紊动特性参数建立定量关系,以美国Ice Harbor大坝为例,采用该定量关系式计算了下游水体中溶解气体浓度的分布,实测结果验证了理论分析的合理可靠性.     

A quantitative interpretation of recent experimental results on stable carbon isotope fractionation by aerobic CH4-oxidizing bacteria

A quantitative model of recent laboratory experiments on carbon isotope fractionation by methane-oxidizing bacteria is proposed. The simulated experimental apparatus consists of a bacterial culture with a constant liquid volume, a gas headspace and a methane bubbling mechanism. The relative effects of bacterial growth and transport phenomena that do not depend on cell density are clarified. In all calculations, gas-liquid mass transfer is defined by unconstrained model parameters. Limited mass transfer from the culture into the headspace, rather than the incomplete dissolution of substrate-rich bubbles, seems to have caused an apparent decrease in the measured carbon isotope fractionation. The experimenters attributed this fractionation shift to a growing imbalance among kinetic rates as methane consumption by bacteria increases. Model predictions support this interpretation but also show that changes in carbon isotope fractionation in the course of the experiments cannot be unambiguously correlated with bacterial cell density unless gas-liquid mass transfer parameters are calibrated. Simulations of other laboratory experiments indicate that a reported change in carbon isotope fractionation could, in part at least, be the result of experimental conditions rather than the emergence of a different methane oxidation pathway postulated by the experimenters. A careful evaluation of mass transfer from the liquid culture into the gas headspace is warranted in this type of experiments since isotope fractionation factors are likely to be used in a wide variety of environmental contexts.