On the selection of primary variables in numerical formulation for modeling multiphase flow in porous media

Selecting the proper primary variables is a critical step in efficiently modeling the highly nonlinear problem of multiphase subsurface flow in a heterogeneous porous-fractured media. Current simulation and ground modeling techniques consist of (1) spatial discretization of mass and/or heat conservation equations using finite difference or finite element methods; (2) fully implicit time discretization; (3) solving the nonlinear, discrete algebraic equations using a Newton iterative scheme. Previous modeling efforts indicate that the choice of primary variables for a Newton iteration not only impacts computational performance of a numerical code, but may also determine the feasibility of a numerical modeling study in many field applications. This paper presents an analysis and general recommendations for selecting primary variables in simulating multiphase, subsurface flow for one-active phase (Richards' equation), two-phase (gas and liquid) and three-phase (gas, water and nonaqueous phase liquid or NAPL) conditions. In many cases, a dynamic variable switching or variable substitution scheme may have to be used in order to achieve optimal numerical performance and robustness. The selection of primary variables depends in general on the sensitivity of the system of equations to the variables selected at given phase and flow conditions. We will present a series of numerical tests and large-scale field simulation examples, including modeling one (active)-phase, two-phase and three-phase flow problems in multi-dimensional, porous-fractured subsurface systems.     

Assessing microbial degradation of o-xylene at field-scale from the reduction in mass flow rate combined with compound-specific isotope analyses

In recent years, natural attenuation (NA) has evolved into a possible remediation alternative, especially in the case of BTEX spills. In order to be approved by the regulators, biodegradation needs to be demonstrated which requires efficient site investigation and monitoring tools. Three methods--the Integral Groundwater Investigation method, the compound-specific isotope analysis (CSIA) and a newly developed combination of both--were used in this work to quantify at field scale the biodegradation of o-xylene at a former gasworks site which is heavily contaminated with BTEX and PAHs. First, the Integral Groundwater Investigation method [Schwarz, R., Ptak, T., Holder, T., Teutsch, G., 1998. Groundwater risk assessment at contaminated sites: a new investigation approach. In: Herbert, M. and Kovar, K. (Editors), GQ'98 Groundwater Quality: Remediation and Protection. IAHS Publication 250, pp. 68-71; COH 4 (2000) 170] was applied, which allows the determination of mass flow rates of o-xylene by integral pumping tests. Concentration time series obtained during pumping at two wells were used to calculate inversely contaminant mass flow rates at the two control planes that are defined by the diameter of the maximum isochrone. A reactive transport model was used within a Monte Carlo approach to identify biodegradation as the dominant process for reduction in the contaminant mass flow rate between the two consecutive control planes. Secondly, compound-specific carbon isotope analyses of o-xylene were performed on the basis of point-scale samples from the same two wells. The Rayleigh equation was used to quantify the degree of biodegradation that occurred between the wells. Thirdly, a combination of the Integral Groundwater Investigation method and the compound-specific isotope analysis was developed and applied. It comprises isotope measurements during the integral pumping tests and the evaluation of delta13C time series by an inversion algorithm to obtain spatially integrated mean isotope values at the control planes. It was shown that the Rayleigh equation is applicable to spatially integrated mean isotope values in order to obtain the mean biodegradation between the consecutive control planes. All three approaches yielded consistently a 98-99% degradation of o-xylene.     

Axi-symmetric simulation of soil vapor extraction influenced by soil fracturing

Fracturing, either pneumatic or hydraulic, is a method to improve the performance of soil vapor extraction (SVE) in relatively low permeability soils (< 10(-5) cm/s). A two-dimensional model is presented to simulate trichloroethylene (TCE) soil vapor extraction modified by fracturing. Flow and transport is modeled using mobile macropore and micropore networks, which also have been identified in the literature as dual porosity, dual permeability, or heterogeneous flow models. In this model, fluids can flow in both the macropore and micropore networks. This represents a more general model compared to immobile micropore, mobile macropore models presented thus far in the literature for vapor flow and transport in two dimensions. The model considers pressure- and concentration-driven exchange between the macropore and micropore networks, concentration-driven exchange between the gas and sorbed phases within each network, and equilibrium exchange between the gas and water and a sorbed phase within each network. The parameters employed in an example simulation are based on field measurements made at a fractured site. Considered in the simulations were the influence of the volume percentage of fractures, the length of fractures, the relative location of the water table, and the influence of pulsed pumping. For these simulations, internetwork concentration-driven exchange most significantly affected mass removal. The volume percentage of fractures more significantly influence flow and mass removal than the length of fractures. The depth of the water table below the contamination plume only significantly influenced flow and mass removal when the water table was within 60 cm of the bottom of the contaminated soil in the vadose zone for the parameters considered in this study. Pulsed pumping was not found to increase the amount of mass removed in this study.     

Estimating fugitive dust emission rates using an environmental boundary layer wind tunnel

Emissions from fugitive dust due to erosion of “natural” wind-blown surfaces are an increasingly important part of PM₁₀ (particulate matter with sizes of 10 μm aerodynamic diameter) emission inventories. These inventories are particularly important to State Implementation Plans (SIP), the plan required for each state to file with the Federal government indicating how they will comply with the Federal Clean Air Act (FCAA). However, techniques for determining the fugitive dust contribution to over all PM₁₀ emissions are still in their developmental stages. In the past, the methods have included field monitoring stations, specialized field studies and field wind-tunnel studies. The measurements made in this paper allow for systematic determination of PM₁₀ emission rates through the use of an environmental boundary layer wind tunnel in the laboratory. Near surface steady-state concentration profiles and velocity profiles are obtained in order to use a control volume approach to estimate emission rates. This methodology is applied to soils retrieved from the nation's single largest PM₁₀ source, Owens (dry) Lake in California, to estimate emission rates during active storm periods. The estimated emission rates are comparable to those obtained from field studies and lend to the validity of this method for determining fugitive dust emission rates.     

基于集成全相关技术的水环境治理装备设计

针对现有水环境治理装备设计开发技术存在的不足，提出了一种融合全相关技术与CAD、CAE、CAM、CAPP技术的集成一体化装备系统设计开发方案，并给出了这种集成全相关技术的初步实现方法，而且进行了射流曝气器的设计应用。这种方法有望实现水环境治理装备系统完整、可靠的设计，并缩短了设计开发周期。     

运用CFD技术进行二段往复炉排焚烧炉二次风口的辅助设计

二次风口的合理布设是实现炉膛内气体混合均匀、反应完全的有效措施之一，运用CFD技术进行二段往复炉排焚烧炉二次风口的辅助设计，借助PHOENICS软件模拟二次风口对炉内流场的影响。通过模拟发现，二次风口的布设可明显提高烟气的湍流程度．前后墙各设一排直径为0．04m的二次风口可以实现最佳的炉膛流场工况。     

表面活性剂冲洗法治理非水卡流体污染多相流研究进展

表面活性剂冲洗法是一种治理土壤与地下水非水相流体（NAPLs）污染的有效技术。在简要介绍表面活性剂冲洗法去除作用机理的基础上，总结了近些年来与表面活性剂冲洗法多相流相关的国内外试验研究和模型研究成果，主要包括表面活性剂作用所引起的混溶驱替和不混溶驱替多相流问题，并指出目前研究中存在的问题和进一步探讨的方向。     

微细水雾除尘技术的实验研究

分析了煤矿并下呼吸性粉尘防治技术现状，并对水的超声雾化技术进行了实验研究，应用回归分析建立了超声雾化性能的数学模型。在分析微细水雾捕尘机理及捕尘水雾凝并沉降技术的基础上，设计了一集微细水雾捕尘-凝聚、凝并降尘-惯性沉降分离为一体的含尘气流净化系统，并对该系统的除尘效率进行了实验研究，建立了相应的数学模型。     

Migration of saline solutions in variably saturated porous media

Migration of concentrated NaNO3 solutions in homogeneous packs of pre-wetted silica sands was investigated using a light transmission system. Solutions of 5 molal NaNO3 were found to migrate downward 24-62% faster than pure water, in an unstable, fingered manner. This behavior was attributed primarily to a surface tension induced, non-zero apparent contact angle between the imbibing and the resident fluids. For saline solutions of similar surface tension to that of pure water (achieved by the addition of 2% methanol), the migration rates and plume shapes were comparable to that of water, demonstrating that density was not the primary source of the observed differences in migration patterns. At depths where resident saturation increased above residual, the migration process appeared to occur via film flow with slight changes in saturation (<4%), rather than in a series of abrupt jumps, as observed at shallower depths. A method for contact angle scaling was used to illustrate the effects of non-zero contact angles on capillary pressure-saturation curves.     

Human exposure to dioxins and furans: application of the substance flow analysis to health risk assessment

Substance Flow Analysis (SFA) is an important instrument that allows for the undertaking of environmental management for a specific contaminant. 'Control Analysis' is a tool that assesses the effect on a target flow of changes in flows forming part of a control basis set. The purpose of the present study was to perform a modeling of the annual PCDD/F flows in Tarragona Province and to apply the model for human health risk assessment. The validation of the model has been evaluated by comparing estimated fluxes with experimental values. Eleven subsystems, as well as a set of 88 flows of the system in Tarragona Province were considered. The total PCDD/F accumulation in Tarragona Province was between 62.6 and 159.5 g I-TEQ/y. Accumulation in sediments (27.9-74.6 g I-TEQ/y) and soils (35.0-80.8 g I-TEQ/y) are the two principal modes of deposition. Estimated flow in human adipose tissue means a mean intake of PCDD/F (via ingestion and inhalation) of 243 pg I-TEQ/person/day. The food chain pathway accounts for 99% of the total daily intake. As a result of the simulation, a 100% decrease in industrial emissions would cause a 1.7% reduction in the PCDD/F accumulation in humans. In turn, a 100% reduction of PCDD/Fs in the industrial waste waters would cause only an insignificant 0.1% decrease in the accumulation of PCDD/Fs in humans.