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A regional-scale particle-tracking method for nonstationary fractured media

Description: A regional scale transport model is introduced that is applicable to non-stationary and statistically inhomogeneous fractured media, provided that hydraulic flow, but not necessarily solute transport, can be approximated by equivalent continuum properties at some block scale. Upscaled flow and transport block properties are transferred from multiple fracture network realizations to a regional model with grid elements of equal size to that found valid for continuum approximation of flow. In the large-scale model, flow is solved in a stochastic continuum framework, whereas the transport calculations employ a random walk procedure. Block-wise transit times are sampled from distributions linked to each block-conductivity based on its underlying fracture network. To account for channeled transport larger than the block scale, several alternatives in sampling algorithm are introduced and compared. The most reasonable alternative incorporates a spatial persistence length in sampling the particle transit times; this tracer transport persistence length is related to interblock channeling, and is quantified by the number N of blocks. The approach is demonstrated for a set of field data, and the obtained regional-scale particle breakthroughs are analyzed. These are fitted to the one-dimensional advective-dispersive equation to determine an effective macroscale dispersion coefficient. An interesting finding is that this macroscale dispersion coefficient is found to be a linear function of the transport persistence, N, with a slope equal to a representative mean block-scale dispersion coefficient and a constant that incorporates background dispersion arising from the regional heterogeneous conductivity field.
Date: November 1, 2004
Creator: Ohman, Johan; Niemi, Auli & Tsang, Chin-Fu
Partner: UNT Libraries Government Documents Department

Subsurface Flow and Contaminant Transport Documentation and User's Guide

Description: This report documents a finite element code designed to model subsurface flow and contaminant transport, named FACT. FACT is a transient three-dimensional, finite element code designed to simulate isothermal groundwater flow, moisture movement, and solute transport in variably saturated and fully saturated subsurface porous media. The code is designed specifically to handle complex multi-layer and/or heterogeneous aquifer systems in an efficient manner and accommodates a wide range of boundary conditions. Additionally, 1-D and 2-D (in Cartesian coordinates) problems are handled in FACT by simply limiting the number of elements in a particular direction(s) to one. The governing equations in FACT are formulated only in Cartesian coordinates.
Date: July 28, 1999
Creator: Aleman, S.E.
Partner: UNT Libraries Government Documents Department

Colloid-Facilitated Plutonium Transport in Saturated Alluvium

Description: Natural groundwater colloids have been recognized as possible agents for enhancing the subsurface transport of strongly-sorbing radionuclides. To evaluate this mechanism, packed-bed column experiments were conducted comparing the simultaneous transport of dissolved plutonium (Pu), Pu sorbed onto natural colloids, 190-nm and 500-nm diameter fluorescent CML microspheres, and tritiated water in saturated alluvium. Experiments were conducted in two columns having slightly different porosities at two flow rates, resulting in average linear velocities (v{sub z}) of 0.6 to 3.65 cm/hr in one column and 0.57 to 2.85 cm/hr in the other. In all experiments, Pu associated with natural colloids transported through alluvium essentially unretarded, while dissolved Pu was entirely retained. These results were consistent with the strong sorption of Pu to alluvium and the negligible desorption from natural colloids, observed in separate batch experiments, over time scales exceeding those of the column experiments. Breakthroughs of natural colloids preceded tritiated water in all experiments, indicating a slightly smaller effective pore volume for the colloids. The enhancement of colloids transport over tritiated water decreased with v{sub z}, implying {approx} 40% enhancement at v{sub z} = 0. The 500-nm CML microspheres were significantly attenuated in the column experiments compared to the 190-nm microspheres, which exhibited slightly more attenuation than natural colloids.
Date: June 1, 2004
Creator: Abdel-Fattah, A.; Reimus, P.; Ware, S. & Haga, M.
Partner: UNT Libraries Government Documents Department

CARBON DIOXIDE SEPARATION BY PHASE ENHANCED GAS-LIQUID ABSORPTION

Description: A new process called phase enhanced gas-liquid absorption has been developed in its early stage. It was found that adding another phase into the absorption system of gas/aqueous phase could enhance the absorption rate. A system with three phases was studied. In the system, gas phase was carbon dioxide. Two liquid phases were used. One was organic phase. Another was aqueous phase. By addition of organic phase into the absorption system of CO{sub 2}-aqueous phase, the absorption rate of CO{sub 2} was increased significantly. CO{sub 2} finally accumulated into aqueous phase. The experimental results proved that (1) Absorption rate of carbon dioxide was enhanced by adding organic phase into gas aqueous phase system; (2) Organic phase played the role of transportation of gas solute (CO{sub 2}). Carbon dioxide finally accumulated into aqueous phase.
Date: May 1, 2004
Creator: Hu, Liang & Adeyiga, Adeyinka A.
Partner: UNT Libraries Government Documents Department

Conceptual evaluation of the potential role of fractures in unsaturated processes at Yucca Mountain

Description: A wide array of field observations, in situ testing, and rock and water sampling (and subsequent analyses) within the unsaturated zone of Yucca Mountain demonstrate the importance of fractures to flow and transport in the welded tuffs. The abundance of fractures and the spatial variability in their hydraulic properties, along with the heterogeneity within lithologic formations, make evaluation of unsaturated processes occurring within the potential repository horizon complex. Fracture mapping and field testing show that fractures are well connected, yet considerable variation is seen within and between units comprising the potential repository horizon with regard to fracture trace length, spacing, permeability, and capillarity. These variations have important implications for the distribution and movement of water and solutes through the unsaturated zone. Numerical models designed to assess such phenomena as unsaturated flow, transport, and coupled thermal-hydrological processes each require their own conceptual model for fracture networks, in order to identify the subset of all fractures that is relevant to the particular study. We evaluate several process-dependent conceptual models for fractures and identify the relevant fracture subsets related to these processes.
Date: April 4, 2002
Creator: Hinds, Jennifer J.; Bodvarsson, Gudmundur S. & Nieder-Westermann, Gerald H.
Partner: UNT Libraries Government Documents Department

A Resolution Analysis of Two Geophysical Imaging Methods for Characterizing and Monitoring Hydrologic Conditions in the Vadose Zone

Description: This project has been designed to analyze the resolution of two different geophysical imaging techniques (electrical resistivity tomography and cross-borehole ground penetrating radar) for monitoring subsurface flow and transport processes within the vadose zone. This is to be accomplished through a coupled approach involving large scale unsaturated flow modeling, petrophysical conversion of the resulting 2 and 3 Dimensional water content and solute concentration fields to geophysical property models and generation of synthetic geophysical data, followed by the inversion of the synthetic geophysical data. The resolution, strengths, and limitations of the geophysical techniques will then be ascertained through an analysis involving comparisons between the original hydrologic modeling results and inverted geophysical images. Increasing levels of complexity will be added to the models as the project progresses through the addition of heterogeneity in the original hydrologic property model, and by adding uncertainty to the petrophysical relationship that couples the geophysical model to the hydrologic modeling results.
Date: June 1, 2003
Creator: Alumbaugh, David L.
Partner: UNT Libraries Government Documents Department

Field-scale in situ measurements of vadose zone flow and transport using multiple tracers at INEEL Vadose Zone Research Park (VZRP) - EMSP5-02-06

Description: This study is aimed at obtaining a better understanding of vadose zone flow and transport processes at the field scale and establishing defensible links between laboratory- and field derived transport parameters for conservative and reactive elements in the vadose zone. The study site (Vadose Zone Research Park [VZRP] at INEEL) provides a three-dimensional instrumentation array strategically surrounding new infiltration ponds, and the Big Lost River, and intermittent stream proximal to the infiltration ponds. The proposed research will utilize the infiltration ponds and the Big Lost River to study the effects of fluid flux, water chemistry and degree of saturation on contaminant transport in the vadose zone. Our research plan has four major objectives: (1) evaluate the transport of conservative and reactive solute and colloid tracers through the vadose zone and local perched water zones; (2) examine isotopic variations of U and Sr and compare these to introduced sorbing and non- sorbing tracers; (3) develop and calibrate a conceptual flow and transport model, and (4) examine the effects of flow and geochemical transients on tracer and colloid transport.
Date: June 30, 2004
Creator: Hull, Lawrence
Partner: UNT Libraries Government Documents Department

Length Scale Correlations of Cellular Microstructures in Directionally Solidified Binary System

Description: In a cellular array, a range of primary spacing is found to be stable under given growth conditions. Since a strong coupling of solute field exists between the neighboring cells, primary spacing variation should also influence other microstructure features such as cell shape and cell length. The existence of multiple solutions is examined in this study both theoretically as well as experimentally. A theoretical model is developed that identifies and relates four important microstructural lengths, which are found to be primary spacing, tip radius, cell width and cell length. This general microstructural relationship is shown to be valid for different cells in an array as well as for other cellular patterns obtained under different growth conditions. The unique feature of the model is that the microstructure correlation does not depend on composition or growth conditions since these variables scale microstructural lengths to satisfy the relationship obtained in this study. Detailed directional solidification experimental studies have been carried out in the succinonitrile-salol system to characterize and measure these four length scales. Besides the validation of the model, experimental results showed additional scaling laws to be present. In the regime where only a cellular structure is formed, the shape of the cell, the cell tip radius and the length of the cell are all found to scale individually with the local primary spacing. The presence of multiple solutions of primary spacing is also shown to influence the cell-dendrite transition that is controlled not only by the processing variables (growth velocity, thermal gradient and composition) but also by the local cell spacing. The cell-dendrite transition was found not to be sharp, but occurred over a range of processing conditions. Two critical conditions have been identified such that only cells are present below lower critics condition, and only dendrites are formed above the upper ...
Date: August 1, 2002
Creator: Shen, Yunxue
Partner: UNT Libraries Government Documents Department

Tough2{_}MP: A parallel version of TOUGH2

Description: TOUGH2{_}MP is a massively parallel version of TOUGH2. It was developed for running on distributed-memory parallel computers to simulate large simulation problems that may not be solved by the standard, single-CPU TOUGH2 code. The new code implements an efficient massively parallel scheme, while preserving the full capacity and flexibility of the original TOUGH2 code. The new software uses the METIS software package for grid partitioning and AZTEC software package for linear-equation solving. The standard message-passing interface is adopted for communication among processors. Numerical performance of the current version code has been tested on CRAY-T3E and IBM RS/6000 SP platforms. In addition, the parallel code has been successfully applied to real field problems of multi-million-cell simulations for three-dimensional multiphase and multicomponent fluid and heat flow, as well as solute transport. In this paper, we will review the development of the TOUGH2{_}MP, and discuss the basic features, modules, and their applications.
Date: April 9, 2003
Creator: Zhang, Keni; Wu, Yu-Shu; Ding, Chris & Pruess, Karsten
Partner: UNT Libraries Government Documents Department

A theory for correlating the thermodynamic and structural properties of molten silicate solutions

Description: A theory of molten silicates is presented which takes into account the dependence of the free energy of cutting Si-O-Si bridging bonds on local structures of the two silicons in the bond. Resultant equations describe the thermodynamic properties of primary silicate solutions containing a mixture of bridges and cut bridges, and should ultimately provide a realistic measure of the distribution of silicon species which have i cut bridges (i = 1,2,3,4) from analyses of thermodynamic data.
Date: June 1, 1995
Creator: Blander, M. & Bloom, I.
Partner: UNT Libraries Government Documents Department

Length Scale Correlations of Cellular Microstructures in Directionally Solidified Binary System

Description: In a cellular array, a range of primary spacing is found to be stable under given growth conditions. Since a strong coupling of solute field exists between the neighboring cells, primary spacing variation should also influence other microstructure features such as cell shape and cell length. The existence of multiple solutions is examined in this study both theoretically as well as experimentally. A theoretical model is developed that identifies and relates four important microstructural lengths, which are found to be primary spacing, tip radius, cell width and cell length. This general microstructural relationship is shown to be valid for different cells in an array as well as for other cellular patterns obtained under different growth conditions. The unique feature of the model is that the microstructure correlation does not depend on composition or growth conditions since these variables scale microstructural lengths to satisfy the relationship obtained in this study. Detailed directional solidification experimental studies have been carried out in the succinonitrile-salol system to characterize and measure these four length scales. Besides the validation of the model, experimental results showed additional scaling laws to be present. In the regime where only a cellular structure is formed, the shape of the cell, the cell tip radius and the length of the cell are all found to scale individually with the local primary spacing. The presence of multiple solutions of primary spacing is also shown to influence the cell-dendrite transition that is controlled not only by the processing variables (growth velocity, thermal gradient and composition) but also by the local cell spacing. The cell-dendrite transition was found not to be sharp, but occurred over a range of processing conditions. Two critical conditions have been identified such that only cells are present below lower critics condition, and only dendrites are formed above the upper ...
Date: June 27, 2002
Creator: Shen, Yunxue
Partner: UNT Libraries Government Documents Department

Field-Scale In Situ Measurements of Vadose Zone Flow and Transport Using Multiple Tracers at INEEL Vadose Zone Research Park (VZRP)

Description: This study is aimed at obtaining a better understanding of vadose zone flow and transport processes at the field scale and establishing defensible links between laboratory- and field-derived transport parameters for conservative and reactive elements in the vadose zone. The study site (Vadose Zone Research Park [VZRP] at INEEL) provides a three dimensional instrumentation array strategically surrounding a new infiltration pond slated for initial use in the upcoming year, and the Big Lost River, and intermittent stream proximal to the infiltration ponds. The proposed research will utilize the infiltration ponds and the Big Lost River to study the effects of fluid flux, water chemistry and degree of saturation on contaminant transport in the vadose zone. Our research plan has four major objectives: (1) determine the transport of conservative and reactive solute and colloid tracers through the vadose zone and local perched water zones; (2) examine isotopic variations of U and Sr and compare these to introduced sorbing and non-sorbing tracers; (3) develop and calibrate a conceptual flow and transport model, and (4) examine the effects of flow and geochemical transients on tracer transport.
Date: December 1, 2004
Creator: Asmerom, Yemane
Partner: UNT Libraries Government Documents Department

Derivation of Equivalent Continuous Dilution for Cyclic, Unsteady Driving Forces

Description: This article uses an analytical approach to determine the dilution of an unsteadily-generated solute in an unsteady solvent stream, under cyclic temporal boundary conditions. The goal is to find a simplified way of showing equivalence of such a process to a reference case where equivalent dilution is defined as a weighted average concentration. This derivation has direct applications to the ventilation of indoor spaces where indoor air quality and energy consumption cannot in general be simultaneously optimized. By solving the equation we can specify how much air we need to use in one ventilation pattern compared to another to obtain same indoor air quality. Because energy consumption is related to the amount of air exchanged by a ventilation system, the equation can be used as a first step to evaluate different ventilation patterns effect on the energy consumption. The use of the derived equation is demonstrated by representative cases of interest in both residential and non-residential buildings.
Date: December 15, 2010
Creator: Laboratory, Lawrence Berkeley National; Technical University of Denmark, Department of Civil Engineering; Mortensen, Dorthe K.; Walker, Iain S. & Sherman, Max H.
Partner: UNT Libraries Government Documents Department

THERMODYNAMICS OF ELECTROLYTES. XI. PROPERTIES OF 3-2, 4-2, AND OTHER HIGH-VALENCE TYPES

Description: Various thermodynamic properties are considered for very high-valence 3-2 and 4-2 electrolytes in water at room temperature. These solutions show the behavior described by Davies in which ion pairing arises as the concentration increases follow by re-dissociation at still higher concentrations. Heat of dilution data, which extend below 10{sup -4} M, are interpreted with the same form of equation used earlier for 2-2 electrolytes. Activity and osmotic coefficient data do not extend to low enough concentration for independent, interpretation, but they are treated with the aid of conductance data in the more dilute range. Parameters are reported for A{ell}{sub 2}(SO{sub 4}){sub 3}, La{sub 2}(SO{sub 4}){sub 3}, In{sub 2}(SO{sub 4}){sub 3}, and several cyanoferrates. High-valence electrolytes show a special behavior at very low concentrations which was recognized by Bjerrum who showed in 1926 that purely electrostatic forces would yield an ion association. Davies showed that this association commonly reached a maximum at an intermediate concentration above which there was a re-dissociation. From one viewpoint, this ion association is an artifact of the linearization approximation in the Debye-Hueckel theory since a more exact statistical treatment yields agreement with experiment without assuming a separate associated species. If an association equilibrium is assumed for these electrolytes, it is found that the value of the association constant depends on the assumptions about the activity coefficients of the ions. To the extent that these effects are important for 2-2 electrolytes, they are discussed in paper III{sup 6} of this series. While in 3-2 and 4-2 electrolytes the effects are of the same nature as those in the 2-2 solutes, they occur at much lower concentration in the higher-valence solutes; consequently new problems arise in treating experimental data. Indeed, it is only the conductance and heat-of-dilution measurements, which extend down to 10{sup -5} M, that show clearly ...
Date: December 1, 1977
Creator: Pitzer, Kenneth S. & Silvester, Leonard F.
Partner: UNT Libraries Government Documents Department

Modeling cation diffusion in compacted water-saturatedNa-bentonite at low ionic strength

Description: Sodium bentonites are used as barrier materials for the isolation of landfills and are under consideration for a similar use in the subsurface storage of high-level radioactive waste. The performance of these barriers is determined in large part by molecular diffusion in the bentonite pore space. We tested two current models of cation diffusion in bentonite against experimental data on the relative apparent diffusion coefficients of two representative cations, sodium and strontium. On the 'macropore/nanopore' model, solute molecules are divided into two categories, with unequal pore-scale diffusion coefficients, based on location: in macropores or in interlayer nanopores. On the 'surface diffusion' model, solute molecules are divided into categories based on chemical speciation: dissolved or adsorbed. The macropore/nanopore model agrees with all experimental data at partial montmorillonite dry densities ranging from 0.2 (a dilute bentonite gel) to 1.7 kg dm{sup -3} (a highly compacted bentonite with most of its pore space located in interlayer nanopores), whereas the surface diffusion model fails at partial montmorillonite dry densities greater than about 1.2 kg dm{sup -3}.
Date: August 28, 2007
Creator: Bourg, Ian C.; Sposito, Garrison & Bourg, Alain C.M.
Partner: UNT Libraries Government Documents Department

Molecular Mechanisms of Scale Deposition

Description: Scales do not develop equally on different substrates, even when bulk physicochemical conditions are the same. The reason for these differential developments, one must presume, are due to subtle features of the near-surface region, either composition or structure. They intend to focus their studies on the structural aspects, including concerns about the molecular structures of solvated components that may be involved with the surface reactions. This approach is richly mechanistic in outlook. It involves concepts of stereo constraints on the chemical processes by which solutes exchange atoms or electrons with substrates. These constraints are a consequence of the more or less regular pattern of electropotential that exists at a crystalline surface. In principle, the electropotential pattern can be manipulated either through the substrate (more precisely by selecting or designing substrates that have desirable patterns) or through the components in the near-surface liquid which modify the basic substrate-induced patterns there.
Date: January 1, 1976
Creator: Michels, Donald E. & Keiser, Dennis D.
Partner: UNT Libraries Government Documents Department

POTENTIAL SCALE DEPENDENCE OF EFFECTIVE MATRIX DIFFUSION COEFFICIENT

Description: It is well known that matrix diffusion (mass transfer between fractures and the rock matrix through molecular diffusion) can significantly retard solute transport processes in fractured rock, and therefore is important for analyzing a variety of problems, including geological disposal of nuclear waste. Matrix-diffusion-coefficient values measured from small rock samples in the laboratory are generally used for modeling field-scale solute transport in fractured rock. However, by compiling results from a number of field tracer tests corresponding to different geological settings, this study demonstrates that the effective matrix diffusion coefficient at field scale is generally larger than that at lab scale and tends to increase with testing scale. Preliminary interpretations of this observation are also investigated. We found that this interesting scale dependence may be related to the complexity of flow-path geometry in fractured rock.
Date: March 13, 2006
Creator: Liu, H.; Zhou, Q. & Zhang, Y.
Partner: UNT Libraries Government Documents Department

Analysis of Alcove 8/Niche 3 Flow and Transport Tests

Description: The purpose of this report is to document analyses of the Alcove 8/Niche 3 flow and transport tests, with a focus on the large-infiltration-plot tests and compare pre-test model predictions with the actual test observations. The tests involved infiltration that originated from the floor of Alcove 8 (located in the Enhanced Characterization of Repository Block (ECRB) Cross Drift) and observations of seepage and tracer transport at Niche 3 (located in the Main Drift of the Exploratory Studies Facility (ESF)). The test results are relevant to drift seepage and solute transport in the unsaturated zone (UZ) of Yucca Mountain. The main objective of this analysis was to evaluate the modeling approaches used and the importance of the matrix diffusion process by comparing simulation and actual test observations. The pre-test predictions for the large plot test were found to differ from the observations and the reasons for the differences were documented in this report to partly address CR 6783, which concerns unexpected test results. These unexpected results are discussed and assessed with respect to the current baseline unsaturated zone radionuclide transport model in Sections 6.2.4, 6.3.2, and 6.4.
Date: September 1, 2006
Creator: Liu, H.H.
Partner: UNT Libraries Government Documents Department

Scale dependence of the effective matrix diffusion coefficient:Evidence and preliminary interpretation

Description: The exchange of solute mass (through molecular diffusion) between fluid in fractures and fluid in the rock matrix is called matrix diffusion. Owing to the orders-of-magnitude slower flow velocity in the matrix compared to fractures, matrix diffusion can significantly retard solute transport in fractured rock, and therefore is an important process for a variety of problems, including remediation of subsurface contamination and geological disposal of nuclear waste. The effective matrix diffusion coefficient (molecular diffusion coefficient in free water multiplied by matrix tortuosity) is an important parameter for describing matrix diffusion, and in many cases largely determines overall solute transport behavior. While matrix diffusion coefficient values measured from small rock samples in the laboratory are generally used for modeling field-scale solute transport in fractured rock (Boving and Grathwohl, 2001), several research groups recently have independently found that effective matrix diffusion coefficients much larger than laboratory measurements are needed to match field-scale tracer-test data (Neretnieks, 2002; Becker and Shapiro, 2000; Shapiro, 2001; Liu et al., 2003, 2004a). In addition to the observed enhancement, Liu et al. (2004b), based on a relatively small number of field-test results, reported that the effective matrix diffusion coefficient might be scale dependent, and, like permeability and dispersivity, it seems to increases with test scale. This scale-dependence has important implications for large-scale solute transport in fractured rock. Although a number of mechanisms have been proposed to explain the enhancement of the effective matrix diffusion coefficient, the potential scale dependence and its mechanisms are not fully investigated at this stage. The major objective of this study is to again demonstrate (based on more data published in the literature than those used in Liu et al. [2004b]) the potential scale dependence of the effective matrix-diffusion coefficient, and to develop a preliminary explanation for this scale-dependent behavior.
Date: April 30, 2006
Creator: Liu, Hui-Hai; Zhang, Yingqi & Molz, Fred J.
Partner: UNT Libraries Government Documents Department

MULTI-REGION REACTIVE TRANSPORT DUE TO STRONG ANISOTROPY IN UNSATURATED SOILS WITH EVOLVING SCALES OF HETEROGENEITY

Description: At Hanford, the prediction of field-scale flow and transport in the vadose zone beneath tank farms and other waste-management facilities provide as good example of the limitations of current conceptualizations. Contaminant plumes in Hanford's vadose zone typically show extensive lateral spreading with splitting along flow paths and multiple zones of high-contaminant concentrations, even in sediments that appear homogeneous and isotropic at the regional scale. Because of the limited success in predicting current contaminant distributions using existing conceptual models and approaches to parameterization, there is some uncertainty about predictions of future transport behavior. This is mostly because current parameter upscaling procedures result in overly smoothed descriptions of the hydraulic functions that cause many of the important details (e.g. extreme water and solute flux, anisotropy), known to be caused by finescale heterogeneity, to be ignored.
Date: June 1, 2005
Creator: Ward, Andy
Partner: UNT Libraries Government Documents Department

Geochemical & Physical Aquifer Property Heterogeneity: A Multiscale Sedimentologic Approach to Reactive Solute Transport

Description: This project is testing the hypothesis that sedimentary lithofacies determine the geochemical and physical hydrologic properties that control reactive solute transport (Figure 1). We are testing that hypothesis for one site, a portion of the saturated zone at the Hanford Site (Ringold Formation), and for a model solute, carbon tetrachloride (CT). The representative geochemical and physical aquifer properties selected for quantification in the proposed project are the properties that control CT transport: hydraulic conductivity (K) and reactivity (sorption distribution coefficient, Kd, and anaerobic transformation rate constant, kn). We are combining observations at outcrop analog sites (to measure lithofacies dimensions and statistical relations) with measurements from archived and fresh core samples (for geochemical experiments and to provide additional constraint to the stratigraphic model) from the Ringold Formation to place local-scale lithofacies successions, and their distinct hydrologic property distributions, into the basinal context, thus allowing us to estimate the spatial distributions of properties that control reactive solute transport in the subsurface.
Date: June 1, 2006
Creator: Murray, Chris; Allen-King, Richelle & Weissmann, Gary
Partner: UNT Libraries Government Documents Department

Origin of Scale-Dependent Dispersivity and Its Implications For Miscible Gas Flooding

Description: Dispersive mixing has an important impact on the effectiveness of miscible floods. Simulations routinely assume Fickian dispersion, yet it is well established that dispersivity depends on the scale of measurement. This is one of the main reasons that a satisfactory method for design of field-scale miscible displacement processes is still not available. The main objective of this project was to improve the understanding of the fundamental mechanisms of dispersion and mixing, particularly at the pore scale. To this end, microsensors were developed and used in the laboratory to measure directly the solute concentrations at the scale of individual pores; the origin of hydrodynamic dispersion was evaluated from first principles of laminar flow and diffusion at the grain scale in simple but geometrically completely defined porous media; techniques to use flow reversal to distinguish the contribution to dispersion of convective spreading from that of true mixing; and the field scale impact of permeability heterogeneity on hydrodynamic dispersion was evaluated numerically. This project solved a long-standing problem in solute transport in porous media by quantifying the physical basis for the scaling of dispersion coefficient with the 1.2 power of flow velocity. The researchers also demonstrated that flow reversal uniquely enables a crucial separation of irreversible and reversible contributions to mixing. The interpretation of laboratory and field experiments that include flow reversal provides important insight. Other advances include the miniaturization of long-lasting microprobes for in-situ, pore-scale measurement of tracers, and a scheme to account properly in a reservoir simulator (grid-block scale) for the contributions of convective spreading due to reservoir heterogeneity and of mixing.
Date: September 30, 2008
Creator: Bryant, Steven; Johns, Russ; Lake, Larry & Harmon, Thomas
Partner: UNT Libraries Government Documents Department

A quasilinear model for solute transport under unsaturated flow

Description: We developed an analytical solution for solute transport under steady-state, two-dimensional, unsaturated flow and transport conditions for the investigation of high-level radioactive waste disposal. The two-dimensional, unsaturated flow problem is treated using the quasilinear flow method for a system with homogeneous material properties. Dispersion is modeled as isotropic and is proportional to the effective hydraulic conductivity. This leads to a quasilinear form for the transport problem in terms of a scalar potential that is analogous to the Kirchhoff potential for quasilinear flow. The solutions for both flow and transport scalar potentials take the form of Fourier series. The particular solution given here is for two sources of flow, with one source containing a dissolved solute. The solution method may easily be extended, however, for any combination of flow and solute sources under steady-state conditions. The analytical results for multidimensional solute transport problems, which previously could only be solved numerically, also offer an additional way to benchmark numerical solutions. An analytical solution for two-dimensional, steady-state solute transport under unsaturated flow conditions is presented. A specific case with two sources is solved but may be generalized to any combination of sources. The analytical results complement numerical solutions, which were previously required to solve this class of problems.
Date: May 15, 2009
Creator: Houseworth, J.E. & Leem, J.
Partner: UNT Libraries Government Documents Department

Exact expressions and accurate approximations for the dependences of radius and index of refraction of solutions of inorganic solutes on relative humidity

Description: Light scattering by aerosols plays an important role in Earth’s radiative balance, and quantification of this phenomenon is important in understanding and accounting for anthropogenic influences on Earth’s climate. Light scattering by an aerosol particle is determined by its radius and index of refraction, and for aerosol particles that are hygroscopic, both of these quantities vary with relative humidity RH. Here exact expressions are derived for the dependences of the radius ratio (relative to the volume-equivalent dry radius) and index of refraction on RH for aqueous solutions of single solutes. Both of these quantities depend on the apparent molal volume of the solute in solution and on the practical osmotic coefficient of the solution, which in turn depend on concentration and thus implicitly on RH. Simple but accurate approximations are also presented for the RH dependences of both radius ratio and index of refraction for several atmospherically important inorganic solutes over the entire range of RH values for which these substances can exist as solution drops. For all substances considered, the radius ratio is accurate to within a few percent, and the index of refraction to within ~0.02, over this range of RH. Such parameterizations will be useful in radiation transfer models and climate models.
Date: March 15, 2010
Creator: Lewis, E.R. & Schwartz, S.
Partner: UNT Libraries Government Documents Department