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Summary of Externally-Driven Cavern Oil Mixing Research at SNL Including Work Performed at ASU/Notre Dame and UMass-Dartmouth

Webb, Stephen W.

Sandia National Laboratories is investigating oil mixing in underground storage caverns as part of the Strategic Petroleum Reserve (SPR) program. Oil mixing in caverns can be classified as internally - driven or externally driven. In externally - driven mixing, which is addressed in this report, processes external to the cavern and the underground environment such as the introduction and removal of fluids can cause mixing of the oil. Miscible and immiscible mixing processes are discussed. As part of this investigation, research into the fundamental mixing processes for layered caverns has been conducted by Professor H.J.S. Fernando and associates at Arizona State University (ASU) (2006 - 2009) and at the University of Notre Dame (2010 - 2012) for miscible mixing from jets. Additional research for immiscible mixing at an interface due to fluid injection was conducted at the University of Massachusetts - Dartmouth. The results of the research conducted at Sandia National Laboratories and at ASU/Notre Dame and UMass - Dartmouth are summarized in this report.

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Water recovery using waste heat from coal fired power plants

Morrow, Charles; Dwyer, Brian P.; Webb, Stephen W.; Altman, Susan J.

The potential to treat non-traditional water sources using power plant waste heat in conjunction with membrane distillation is assessed. Researchers and power plant designers continue to search for ways to use that waste heat from Rankine cycle power plants to recover water thereby reducing water net water consumption. Unfortunately, waste heat from a power plant is of poor quality. Membrane distillation (MD) systems may be a technology that can use the low temperature waste heat (<100 F) to treat water. By their nature, they operate at low temperature and usually low pressure. This study investigates the use of MD to recover water from typical power plants. It looks at recovery from three heat producing locations (boiler blow down, steam diverted from bleed streams, and the cooling water system) within a power plant, providing process sketches, heat and material balances and equipment sizing for recovery schemes using MD for each of these locations. It also provides insight into life cycle cost tradeoffs between power production and incremental capital costs.

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SPR salt wall leaching experiments in lab-scale vessel : data report

Webb, Stephen W.

During cavern leaching in the Strategic Petroleum Reserve (SPR), injected raw water mixes with resident brine and eventually interacts with the cavern salt walls. This report provides a record of data acquired during a series of experiments designed to measure the leaching rate of salt walls in a labscale simulated cavern, as well as discussion of the data. These results should be of value to validate computational fluid dynamics (CFD) models used to simulate leaching applications. Three experiments were run in the transparent 89-cm (35-inch) ID diameter vessel previously used for several related projects. Diagnostics included tracking the salt wall dissolution rate using ultrasonics, an underwater camera to view pre-installed markers, and pre- and post-test weighing and measuring salt blocks that comprise the walls. In addition, profiles of the local brine/water conductivity and temperature were acquired at three locations by traversing conductivity probes to map out the mixing of injected raw water with the surrounding brine. The data are generally as expected, with stronger dissolution when the salt walls were exposed to water with lower salt saturation, and overall reasonable wall shape profiles. However, there are significant block-to-block variations, even between neighboring salt blocks, so the averaged data are considered more useful for model validation. The remedial leach tests clearly showed that less mixing and longer exposure time to unsaturated water led to higher levels of salt wall dissolution. The data for all three tests showed a dividing line between upper and lower regions, roughly above and below the fresh water injection point, with higher salt wall dissolution in all cases, and stronger (for remedial leach cases) or weaker (for standard leach configuration) concentration gradients above the dividing line.

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Analysis of micromixers and biocidal coatings on water-treatment membranes to minimize biofouling

Altman, Susan J.; Clem, Paul; Cook, Adam; Hart, William E.; Hibbs, Michael; Ho, Clifford K.; Jones, Howland D.T.; Sun, Amy C.; Webb, Stephen W.

Biofouling, the unwanted growth of biofilms on a surface, of water-treatment membranes negatively impacts in desalination and water treatment. With biofouling there is a decrease in permeate production, degradation of permeate water quality, and an increase in energy expenditure due to increased cross-flow pressure needed. To date, a universal successful and cost-effect method for controlling biofouling has not been implemented. The overall goal of the work described in this report was to use high-performance computing to direct polymer, material, and biological research to create the next generation of water-treatment membranes. Both physical (micromixers - UV-curable epoxy traces printed on the surface of a water-treatment membrane that promote chaotic mixing) and chemical (quaternary ammonium groups) modifications of the membranes for the purpose of increasing resistance to biofouling were evaluated. Creation of low-cost, efficient water-treatment membranes helps assure the availability of fresh water for human use, a growing need in both the U. S. and the world.

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Joint physical and numerical modeling of water distribution networks

Mckenna, Sean A.; Ho, Clifford K.; Cappelle, Malynda A.; Webb, Stephen W.; O'Hern, Timothy J.

This report summarizes the experimental and modeling effort undertaken to understand solute mixing in a water distribution network conducted during the last year of a 3-year project. The experimental effort involves measurement of extent of mixing within different configurations of pipe networks, measurement of dynamic mixing in a single mixing tank, and measurement of dynamic solute mixing in a combined network-tank configuration. High resolution analysis of turbulence mixing is carried out via high speed photography as well as 3D finite-volume based Large Eddy Simulation turbulence models. Macroscopic mixing rules based on flow momentum balance are also explored, and in some cases, implemented in EPANET. A new version EPANET code was developed to yield better mixing predictions. The impact of a storage tank on pipe mixing in a combined pipe-tank network during diurnal fill-and-drain cycles is assessed. Preliminary comparison between dynamic pilot data and EPANET-BAM is also reported.

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Convection in underground oil caverns: The role of double diffusion

2007 Proceedings of the ASME/JSME Thermal Engineering Summer Heat Transfer Conference - HT 2007

Fernando, H.J.S.; Ching, C.Y.; Zhao, Z.; Pol, S.; Webb, Stephen W.

The US Strategic Petroleum Reserve (SPR) stores oil in large underground salt caverns. This oil has compositional and thermal gradients induced by geothermal heating from both the bottom surface and side walls. Temperature layering has been recorded in SPR oil caverns, which is hypothesized to be predominantly due to double-diffusive layering that occurs when a stable compositional gradient is heated from below. Initial results of a laboratory experimental program aimed at studying dynamics of such double-diffusive layers in the context of SPR are described in this paper. Of particular interest are the thickness of converting layers, layer evolution (migration/merging) and conditions for the formation/non-formation of double-diffusive layers. Copyright © 2007 by ASME.

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Training Protocols for the Detection of Explosive Vapors in Interior Spaces

Phelan, James M.; Webb, Stephen W.

Computational fluid dynamics simulations for dispersal of explosive vapors in interior spaces have been performed including details of typical ventilation systems. The interior spaces investigated include an office area, a single-family house, and a warehouse store. Explosive vapor sources are defined in the various interior spaces, and contours of the vapor concentration in the interior spaces relative to the source concentration are presented for relative concentrations down to 10-5. Training protocols for detection of explosive vapors in interior spaces should include an awareness of the time to equilibrium evident in these simulations as well as the significance of ventilation zones.3

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High-fidelity simulation of the influence of local geometry on mixing in crosses in water distribution systems

Restoring Our Natural Habitat - Proceedings of the 2007 World Environmental and Water Resources Congress

Webb, Stephen W.

Network simulation models for water distribution systems typically assume the mixing at pipe intersections is complete and instantaneous. Recent data show that mixing may be incomplete at pipe junctions (pipe crosses and tees) under most conditions. In general, computational fluid dynamic (CFD) simulations agree with the experimental data, establishing confidence in the CFD approach for application to other situations. However, in the case of unequal inlet flow rates and equal outlet flow rates in a cross, the simulation results and experimental data show significantly different results. The reasons for this discrepancy are investigated, and a revised model is developed that is consistent with the experimental data. © 2007 ASCE.

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The impact of natural convection on near-field TH processes in the fractured rock at Yucca Mountain

Proceedings of the 11th International High Level Radioactive Waste Management Conference, IHLRWM

Birkholzer, J.T.; Halecky, N.; Webb, Stephen W.; Peterson, P.F.; Bodvarsson, G.S.

The heat output of the radioactive waste proposed to be emplaced at Yucca Mountain will strongly affect the thermal-hydrological (TH) conditions in and near the geologic repository for thousands of years. Recent computational fluid dynamics (CFD) analysis has demonstrated that the emplacement tunnels (drifts) will act as important conduits for gas flows driven by natural convection. As a result, vapor generated from boiling/evaporation of formation water near elevated-temperature sections of the drifts may effectively be transported to cooler end sections (where no waste is emplaced), would condense there, and subsequently drain into underlying rock units. To study these processes, we have developed a new simulation method that couples existing tools for simulating TH conditions in the fractured formation with modules that approximate natural convection in heated emplacement drifts. The new method is applied to evaluate the future TH conditions at Yucca Mountain in a three-dimensional model domain comprising a representative emplacement drift and the surrounding fractured rock.

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Evaluating the moisture conditions in the fractured rock at Yucca Mountain: The impact of natural convection processes in heated emplacement drifts

Vadose Zone Journal

Birkholzer, J.T.; Webb, Stephen W.; Halecky, N.; Peterson, P.F.; Bodvarsson, G.S.

The energy output of the high-level radioactive waste to be emplaced in the proposed geologic repository at Yucca Mountain, NV, will strongly affect the thermal-hydrological (TH) conditions in the near-drift fractured rock. Heating of rock water to above-boiling conditions will induce large water saturation changes and flux perturbations close to the waste emplacement tunnels (drifts) that will last several thousand years. Understanding these perturbations is important for the performance of the repository, because they could increase, for example, the amount of formation water seeping into the open drifts and contacting waste packages. Recent computational fluid dynamics analysis has demonstrated that the drifts will act as important conduits for gas flows driven by natural convection. As a result, vapor generated from boiling of formation water near elevated-temperature sections of the drifts may effectively be transported to cooler end sections (where no waste is emplaced), where it would condense and subsequently drain into underlying rock units. Thus, natural convection processes have great potential for reducing the near-drift moisture content in heated drift sections, which has positive ramifications for repository performance. To study these processes, we have developed a new simulation method that couples existing tools for simulating TH conditions in the fractured formation with modules that approximate natural convection and evaporation conditions in heated emplacement drifts. The new method is applied to evaluate the impact of in-drift natural convection on the future TH conditions at Yucca Mountain in a three-dimensional model domain comprising a representative emplacement drift and the surrounding fractured rock. © Soil Science Society of America.

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Numerical simulations of lab-scale brine-water mixing experiments

Webb, Stephen W.; Khalil, Imane

Laboratory-scale experiments simulating the injection of fresh water into brine in a Strategic Petroleum Reserve (SPR) cavern were performed at Sandia National Laboratories for various conditions of injection rate and small and large injection tube diameters. The computational fluid dynamic (CFD) code FLUENT was used to simulate these experiments to evaluate the predictive capability of FLUENT for brine-water mixing in an SPR cavern. The data-model comparisons show that FLUENT simulations predict the mixing plume depth reasonably well. Predictions of the near-wall brine concentrations compare very well with the experimental data. The simulated time for the mixing plume to reach the vessel wall was underpredicted for the small injection tubes but reasonable for the large injection tubes. The difference in the time to reach the wall is probably due to the three-dimensional nature of the mixing plume as it spreads out at the air-brine or oil-brine interface. The depth of the mixing plume as it spreads out along the interface was within a factor of 2 of the experimental data. The FLUENT simulation results predict the plume mixing accurately, especially the water concentration when the mixing plume reaches the wall. This parameter value is the most significant feature of the mixing process because it will determine the amount of enhanced leaching at the oil-brine interface.

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Measurement and modeling of energetic-material mass transfer to soil-pore water - Project CP-1227 final technical report

Webb, Stephen W.; Phelan, James M.; Hadgu, Teklu; Stein, Joshua; Sallaberry, Cedric J.

Military test and training ranges operate with live-fire engagements to provide realism important to the maintenance of key tactical skills. Ordnance detonations during these operations typically produce minute residues of parent explosive chemical compounds. Occasional low-order detonations also disperse solid-phase energetic material onto the surface soil. These detonation remnants are implicated in chemical contamination impacts to groundwater on a limited set of ranges where environmental characterization projects have occurred. Key questions arise regarding how these residues and the environmental conditions (e.g., weather and geostratigraphy) contribute to groundwater pollution. This final report documents the results of experimental and simulation model development for evaluating mass transfer processes from solid-phase energetics to soil-pore water.

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Measurement and modeling of energetic material mass transfer to soil pore water : Project CP-1227 : FY04 annual technical report

Webb, Stephen W.; Stein, Joshua

Military test and training ranges operate with live fire engagements to provide realism important to the maintenance of key tactical skills. Ordnance detonations during these operations typically produce minute residues of parent explosive chemical compounds. Occasional low order detonations also disperse solid phase energetic material onto the surface soil. These detonation remnants are implicated in chemical contamination impacts to groundwater on a limited set of ranges where environmental characterization projects have occurred. Key questions arise regarding how these residues and the environmental conditions (e.g., weather and geostratigraphy) contribute to groundwater pollution impacts. This report documents interim results of a mass transfer model evaluating mass transfer processes from solid phase energetics to soil pore water based on experimental work obtained earlier in this project. This mass transfer numerical model has been incorporated into the porous media simulation code T2TNT. Next year, the energetic material mass transfer model will be developed further using additional experimental data.

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Effect of Weather on Landmine Chemical Signatures for Different Climates

Proceedings of SPIE - The International Society for Optical Engineering

Webb, Stephen W.; Phelan, James M.

Buried landmines are often detected through their chemical signature in the thin air layer, or boundary layer, right above the soil surface by sensors or animals. Environmental processes play a significant role in the available chemical signature. Due to the shallow burial depth of landmines, the weather also influences the release of chemicals from the landmine, transport through the soil to the surface, and degradation processes in the soil. The effect of weather on the landmine chemical signature from a PMN landmine was evaluated with the T2TNT code for three different climates: Kabul, Afghanistan, Ft. Leonard Wood, Missouri, USA, and Napacala, Mozambique. Results for TNT gas-phase and solid-phase concentrations are presented as a function of time of the year.

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In-drift natural convection analysis of the low temperature operating mode design

Proposed for publication in Nuclear Technology.

Itamura, Michael; Francis, Nicholas D.; Webb, Stephen W.

Yucca Mountain has been designated as the nation's high-level radioactive waste repository, and the U.S. Department of Energy has been approved to apply to the U.S. Nuclear Regulatory Commission for a license to construct a repository. The temperature and humidity inside the emplacement drift will affect the degradation rate of the waste packages and waste forms as well as the quantity of water available to transport dissolved radionuclides out of the waste canister. Thermal radiation and turbulent natural convection are the main modes of heat transfer inside the drift. This paper presents the result of three-dimensional computational fluid dynamics simulations of a segment of emplacement drift. The model contained the three main types of waste packages and was run at the time that the peak waste package temperatures are expected. Results show that thermal radiation is the dominant mode of heat transfer inside the drift. Natural convection affects the variation in surface temperature on the hot waste packages and can account for a large fraction of the heat transfer for the colder waste packages. The paper also presents the sensitivity of model results to uncertainties in several input parameters. The sensitivity study shows that the uncertainty in peak waste package temperatures due to in-drift parameters is <3 C.

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CFD calculation of internal natural convection in the annulus between horizontal concentric cylinders

Proceedings of the ASME Summer Heat Transfer Conference

Webb, Stephen W.; Francis, Nicholas D.; Itamura, Michael; James, Darryl L.

Thermally-induced natural convection heat transfer in the annulus between horizontal concentric cylinders has been studied using the commercial code Fluent. The boundary layers are meshed all the way to the wall because forced convection wall functions are not appropriate. Various one-and two-equation turbulence models have been considered. Overall and local heat transfer rates are compared with existing experimental data.

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Modification of TOUGH2 for Enhanced Coal Bed Methane Simulations

Webb, Stephen W.

The GEO-SEQ Project is investigating methods for geological sequestration of CO{sub 2}. This project, which is directed by LBNL and includes a number of other industrial, university, and National Laboratory partners, is evaluating computer simulation models including TOUGH2. One of the problems to be considered is Enhanced Coal Bed Methane (ECBM) recovery. In this scenario, CO2 is pumped into methane-rich coal beds. Due to adsorption processes, the CO2 is sorbed onto the coal, which displaces the previously sorbed methane (CH4). The released methane can then be recovered, at least partially offsetting the cost of CO2 sequestration. Modifications have been made to the EOS7R equation of state in TOUGH2 to include the extended Langmuir isotherm for sorbing gases, including the change in porosity associated with the sorbed gas mass. Comparison to hand calculations for pure gas and binary mixtures shows very good agreement. Application to a CO{sub 2} well injection problem given by Law et al. (2002) shows good agreement considering the differences in the equations of state.

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Measurement and Modeling of Energetic Material Mass Transfer to Soil Pore Water - Project CP-1227 Annual Technical Report

Phelan, James M.; Webb, Stephen W.; Romero, Joseph V.; Barnett, James; Bohlken, Fawn A.

Military test and training ranges operate with live fire engagements to provide realism important to the maintenance of key tactical skills. Ordnance detonations during these operations typically produce minute residues of parent explosive chemical compounds. Occasional low order detonations also disperse solid phase energetic material onto the surface soil. These detonation remnants are implicated in chemical contamination impacts to groundwater on a limited set of ranges where environmental characterization projects have occurred. Key questions arise regarding how these residues and the environmental conditions (e.g. weather and geostratigraphy) contribute to groundwater pollution impacts. This report documents interim results of experimental work evaluating mass transfer processes from solid phase energetics to soil pore water. The experimental work is used as a basis to formulate a mass transfer numerical model, which has been incorporated into the porous media simulation code T2TNT. Experimental work to date with Composition B explosive has shown that column tests typically produce effluents near the temperature dependent solubility limits for RDX and TNT. The influence of water flow rate, temperature, porous media saturation and mass loading is documented. The mass transfer model formulation uses a mass transfer coefficient and surface area function and shows good agreement with the experimental data. Continued experimental work is necessary to evaluate solid phase particle size and 2-dimensional effects, and actual low order detonation debris. Simulation model improvements will continue leading to a capability to complete screening assessments of the impacts of military range operations on groundwater quality.

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Effect of Weather on the Predicted PMN Landmine Chemical Signature for Kabul, Afghanistan

Webb, Stephen W.; Phelan, James M.

Buried landmines are often detected through the chemical signature in the air above the soil surface by mine detection dogs. Environmental processes play a significant role in the chemical signature available for detection. Due to the shallow burial depth of landmines, the weather influences the release of chemicals from the landmine, transport through the soil to the surface, and degradation processes in the soil. The effect of weather on the landmine chemical signature from a PMN landmine was evaluated with the T2TNT code for Kabul, Afghanistan. Results for TNT and DNT gas-phase and soil solid-phase concentrations are presented as a function of time of the day and time of the year.

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CFD Calculation of Internal Natural Convection in the Annulus between Horizontal Concentric Cylinders

Francis Jr., N.D.; Itamura, Michael; Webb, Stephen W.

The objective of this heat transfer and fluid flow study is to assess the ability of a computational fluid dynamics (CFD) code to reproduce the experimental results, numerical simulation results, and heat transfer correlation equations developed in the literature for natural convection heat transfer within the annulus of horizontal concentric cylinders. In the literature, a variety of heat transfer expressions have been developed to compute average equivalent thermal conductivities. However, the expressions have been primarily developed for very small inner and outer cylinder radii and gap-widths. In this comparative study, interest is primarily focused on large gap widths (on the order of half meter or greater) and large radius ratios. From the steady-state CFD analysis it is found that the concentric cylinder models for the larger geometries compare favorably to the results of the Kuehn and Goldstein correlations in the Rayleigh number range of about 10{sup 5} to 10{sup 8} (a range that encompasses the laminar to turbulent transition). For Rayleigh numbers greater than 10{sup 8}, both numerical simulations and experimental data (from the literature) are consistent and result in slightly lower equivalent thermal conductivities than those obtained from the Kuehn and Goldstein correlations.

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Development of a Risk-Based Performance Assessment Method for Long-Term Cover Systems--Application to the Monticello Mill Tailings Repository

Ho, Clifford K.; Arnold, Bill W.; Cochran, John R.; Webb, Stephen W.

A probabilistic, risk-based performance-assessment methodology is being developed to assist designers, regulators, and involved stakeholders in the selection, design, and monitoring of long-term covers for contaminated subsurface sites. This report presents an example of the risk-based performance-assessment method using a repository site in Monticello, Utah. At the Monticello site, a long-term cover system is being used to isolate long-lived uranium mill tailings from the biosphere. Computer models were developed to simulate relevant features, events, and processes that include water flux through the cover, source-term release, vadose-zone transport, saturated-zone transport, gas transport, and exposure pathways. The component models were then integrated into a total-system performance-assessment model, and uncertainty distributions of important input parameters were constructed and sampled in a stochastic Monte Carlo analysis. Multiple realizations were simulated using the integrated model to produce cumulative distribution functions of the performance metrics, which were used to assess cover performance for both present- and long-term future conditions. Performance metrics for this study included the water percolation reaching the uranium mill tailings, radon flux at the surface, groundwater concentrations, and dose. Results of this study can be used to identify engineering and environmental parameters (e.g., liner properties, long-term precipitation, distribution coefficients) that require additional data to reduce uncertainty in the calculations and improve confidence in the model predictions. These results can also be used to evaluate alternative engineering designs and to identify parameters most important to long-term performance.

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Modification of TOUGH2 to Include the Dusty Gas Model for Gas Diffusion

Webb, Stephen W.

The GEO-SEQ Project is investigating methods for geological sequestration of CO{sub 2}. This project, which is directed by LBNL and includes a number of other industrial, university, and national laboratory partners, is evaluating computer simulation methods including TOUGH2 for this problem. The TOUGH2 code, which is a widely used code for flow and transport in porous and fractured media, includes simplified methods for gas diffusion based on a direct application of Fick's law. As shown by Webb (1998) and others, the Dusty Gas Model (DGM) is better than Fick's Law for modeling gas-phase diffusion in porous media. In order to improve gas-phase diffusion modeling for the GEO-SEQ Project, the EOS7R module in the TOUGH2 code has been modified to include the Dusty Gas Model as documented in this report. In addition, the liquid diffusion model has been changed from a mass-based formulation to a mole-based model. Modifications for separate and coupled diffusion in the gas and liquid phases have also been completed. The results from the DGM are compared to the Fick's law behavior for TCE and PCE diffusion across a capillary fringe. The differences are small due to the relatively high permeability (k = 10{sup -11} m{sup 2}) of the problem and the small mole fraction of the gases. Additional comparisons for lower permeabilities and higher mole fractions may be useful.

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A simple extension of two-phase characteristic curves to include the dry region

Water Resources Research

Webb, Stephen W.

Two-phase characteristic curves are necessary for the simulation of water and vapor flow in porous media. Existing functions such as van Genuchten [1980], Brooks and Corey [1966], and Luckner et al. [1989] have significant limitations in the dry region as the liquid saturation goes to zero. This region, which is important in a number of applications, including liquid and vapor flow and vapor-solid sorption, has been the subject of a number of previous investigations. Most previous studies extended standard capillary pressure curves into the adsorption region to zero water content and required a refitting of the revised curves to the data. In contrast, the present method provides for a simple extension of existing capillary pressure curves without the need to refit the experimental data. Therefore previous curve fits can be used, and the transition between the existing fit and the relationship in the adsorption region is easily calculated. The data-model comparison shows good agreement. This extension is a simple and convenient way to extend existing curves to the dry region.

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Enhanced Vapor-Phase Diffusion in Porous Media - LDRD Final Report

Webb, Stephen W.

As part of the Laboratory-Directed Research and Development (LDRD) Program at Sandia National Laboratories, an investigation into the existence of enhanced vapor-phase diffusion (EVD) in porous media has been conducted. A thorough literature review was initially performed across multiple disciplines (soil science and engineering), and based on this review, the existence of EVD was found to be questionable. As a result, modeling and experiments were initiated to investigate the existence of EVD. In this LDRD, the first mechanistic model of EVD was developed which demonstrated the mechanisms responsible for EVD. The first direct measurements of EVD have also been conducted at multiple scales. Measurements have been made at the pore scale, in a two- dimensional network as represented by a fracture aperture, and in a porous medium. Significant enhancement of vapor-phase transport relative to Fickian diffusion was measured in all cases. The modeling and experimental results provide additional mechanisms for EVD beyond those presented by the generally accepted model of Philip and deVries (1957), which required a thermal gradient for EVD to exist. Modeling and experimental results show significant enhancement under isothermal conditions. Application of EVD to vapor transport in the near-surface vadose zone show a significant variation between no enhancement, the model of Philip and deVries, and the present results. Based on this information, the model of Philip and deVries may need to be modified, and additional studies are recommended.

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Using TOUGH2 to model capillary barriers

Webb, Stephen W.

Ross (1990) developed an analytical relationship to calculate the diversion length of a tilted fine-over-coarse capillary barrier. Oldenburg and Pruess compared TOUGH2 simulation results to the diversion length predicted by Ross` formula using upstream and harmonic weighting. The results were mixed. The qualitative agreement is reasonable but the quantitative comparison is poor, especially for upstream weighting. The proximity of the water table to the fine-coarse interface at breakthrough has been proposed as a possible reason for the poor agreement. In the present study, the Oldenburg and Pruess problem is extended to address the water table issue. When the water table is sufficiently far away from the interface at breakthrough, good qualitative and quantitative agreement is obtained using upstream weighting.

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Gas-phase diffusion in porous media: Comparison of models

Webb, Stephen W.

Two models are commonly used to analyze gas-phase diffusion in porous media in the presence of advection, the Advective-Dispersive Model (ADM) and the Dusty-gas Model (DGM). The ADM, which is used in TOUGH2, is based on a simple linear addition of advection calculated by Darcy`s law and ordinary diffusion using Fick`s law with a porosity-tortuosity-gas saturation multiplier to account for the porous medium. Another approach for gas-phase transport in porous media is the Dusty-Gas Model. This model applies the kinetic theory of gases to the gaseous components and the porous media (or dust) to combine transport due to diffusion and advection that includes porous medium effects. The two approaches are compared in this paper.

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Pore-scale modeling using TOUGH2

Webb, Stephen W.

TOUGH2 is a porous media code which is widely-used for simulating flow and transport in fractured and porous media. TOUGH2 is generally employed using REV (Representative Elementary Volume) size elements or larger volumes. However, because TOUGH2 solves mass, momentum, and energy conservation equations, it can also be used for any size volumes as long as the proper constitutive relationships are included. The present paper discusses application of TOUGH2 to pore-scale modeling of enhanced vapor diffusion in porous media, and the changes and approximations that were employed.

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Modeling the effect of excavation-disturbed-zone porosity increase on groundwater inflow to an underground repository

Webb, Stephen W.

The excavation of underground radioactive waste repositories produces conditions where the repository is underpressured relative to the surrounding host rock, resulting in groundwater inflow to the repository. Groundwater has been shown to enhance gas generation from emplaced waste forms, which in turn expedites repository pressurization. Repository pressurization from waste-generated gas results in an increased driving force for dissolved radionuclide movement away from the repository. Repository excavation also produces a zone surrounding the repository having disturbed hydrologic and geomechanical properties. Within this disturbed rock zone (DRZ), intrinsic permeability and porosity change over time due to the formation of microfractures and grain boundary dilation. Additionally, elastic and inelastic changes in pore volume, driven by excavation-related stress redistribution, may cause variations in the near-field fluid pressure and fluid saturation distributions that influence groundwater flow toward the repository excavation. Increased permeability, decreased pore-fluid pressure, and partially saturated conditions within the DRZ also contribute to enhancing potential release pathways away from the repository. Freeze et al. describe an enhanced version of TOUGH2 (called TOUGH28W) and its application to model the coupled processes of gas generation, multiphase flow and geomechanical deformation at the Waste Isolation Pilot Plant (WIPP) repository. This paper describes a new application of TOUGH28W that couples time-dependent DRZ property changes with multiphase groundwater flow around an underground excavation at WIPP. The results are relevant not only to other salt repositories, but also to repositories in other geologic formations where groundwater inflow and DRZ effects are a concern.

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Review of enhanced vapor diffusion in porous media

Webb, Stephen W.

Vapor diffusion in porous media in the presence of its own liquid has often been treated similar to gas diffusion. The gas diffusion rate in porous media is much lower than in free space due to the presence of the porous medium and any liquid present. However, enhanced vapor diffusion has also been postulated such that the diffusion rate may approach free-space values. Existing data and models for enhanced vapor diffusion, including those in TOUGH2, are reviewed in this paper.

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Prediction of the TNT signature from buried UXO/landmines

Webb, Stephen W.

The detection and removal of buried unexploded ordnance (UXO) and landmines is one of the most important problems facing the world today. Numerous detection strategies are being developed, including infrared, electrical conductivity, ground-penetrating radar, and chemical sensors. Chemical sensors rely on the detection of TNT molecules, which are transported from buried UXO/landmines by advection and diffusion in the soil. As part of this effort, numerical models are being developed to predict TNT transport in soils including the effect of precipitation and evaporation. Modifications will be made to TOUGH2 for application to the TNT chemical sensing problem. Understanding the fate and transport of TNT in the soil will affect the design, performance and operation of chemical sensors by indicating preferred sensing strategies.

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Pore-scale modeling of transient and steady-state vapor diffusion in partially-saturated porous media

Webb, Stephen W.

Vapor diffusion in porous media in the presence of its own liquid may be enhanced due to pore-scale processes, such as condensation and evaporation across isolated liquid islands. Webb and Ho (1997) developed a mechanistic pore-scale model of these processes under steady-state conditions in which condensation and evaporation on the liquid island were equal. The vapor diffusion rate was significantly enhanced by these liquid island processes by up to an order of magnitude compared to a dry porous media. However, vapor transport by diffusion is often complicated by transient effects, such as in drying applications, in which net evaporation of liquid may further augment the vapor flux from diffusion. The influence of transient effects on the enhancement factors for vapor diffusion is evaluated in this paper. In addition, the effect of vapor pressure lowering on the enhancement factor and on porescale vapor fluxes is shown.

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Pore-scale modeling of enhanced vapor diffusion in porous media

Webb, Stephen W.

Vapor diffusion in porous media in the presence of its liquid has often been analyzed like air diffusion. The diffusion rate is much lower than in free space due to the presence of the porous medium and any liquid present. However, enhanced vapor diffusion has also been postulated such that the diffusion rate may approach free-space values. The mechanisms postulated to lead to this enhancement include condensation/evaporation across isolated liquid islands in the porous media and an increased temperature gradient in the gas phase. In order to try to understand the mechanisms involved in such an enhancement, pore-scale models have been developed. Vapor diffusion in the presence of liquid islands has been evaluated for a one-dimensional pore network under a concentration gradient. The simulations show that significant enhancement of vapor diffusion is indeed possible in the presence of liquid islands, while air diffusion decreases slightly. While the present pore-scale model indicates that enhanced vapor diffusion is possible, only experimental data can confirm the relevant processes.

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Prediction of tilted capillary barrier performance

Webb, Stephen W.

Capillary barriers, consisting of tilted fine-over-coarse layers under unsaturated conditions, have been suggested as landfill covers to divert water infiltration away from sensitive underground regions, especially for arid and semi-arid regions. The Hydrological Evaluation of Landfill Performance (HELP) computer code is an evaluation tool for landfill covers used by designers and regulators. HELP is a quasi-two-dimensional model that predicts moisture movement into and through the underground soil and waste layers. Processes modeled within HELP include precipitation, runoff, evapotranspiration, unsaturated vertical drainage, saturated lateral drainage, and leakage through liners. Unfortunately, multidimensional unsaturated flow phenomena that are necessary for evaluating tilted capillary barriers are not included in HELP. Differences between the predictions of the HELP and those from a multidimensional unsaturated flow code are presented to assess the two different approaches. Comparisons are presented for the landfill covers including capillary barrier configurations at the Alternative Landfill Cover Demonstration (ALCD) being conducted at Sandia.

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Comparison of Ross` capillary barrier diversion formula with detailed numerical simulations

Webb, Stephen W.

Ross developed an analytical relationship to calculate the diversion length of a tilted fine-over-coarse capillary barrier. Oldenburg and Pruess compared simulation results using upstream and harmonic weighting to the diversion length predicted by Ross formula with mixed results; the qualitative agreement is reasonable but the quantitative comparison is poor, especially for upstream weighting. The proximity of the water table to the fine-coarse interface at breakthrough is a possible reason for the poor agreement. In the present study, the Oldenburg and Pruess problem is extended to address the water table issue. When the water table is sufficiently far away from the interface at breakthrough, good qualitative and quantitative agreement is obtained using upstream weighting.

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Selection of a numerical unsaturated flow code for tilted capillary barrier performance evaluation

Webb, Stephen W.

Capillary barriers consisting of tilted fine-over-coarse layers have been suggested as landfill covers as a means to divert water infiltration away from sensitive underground regions under unsaturated flow conditions, especially for arid and semi-arid regions. Typically, the HELP code is used to evaluate landfill cover performance and design. Unfortunately, due to its simplified treatment of unsaturated flow and its essentially one-dimensional nature, HELP is not adequate to treat the complex multidimensional unsaturated flow processes occurring in a tilted capillary barrier. In order to develop the necessary mechanistic code for the performance evaluation of tilted capillary barriers, an efficient and comprehensive unsaturated flow code needs to be selected for further use and modification. The present study evaluates a number of candidate mechanistic unsaturated flow codes for application to tilted capillary barriers. Factors considered included unsaturated flow modeling, inclusion of evapotranspiration, nodalization flexibility, ease of modification, and numerical efficiency. A number of unsaturated flow codes are available for use with different features and assumptions. The codes chosen for this evaluation are TOUGH2, FEHM, and SWMS{_}2D. All three codes chosen for this evaluation successfully simulated the capillary barrier problem chosen for the code comparison, although FEHM used a reduced grid. The numerical results are a strong function of the numerical weighting scheme. For the same weighting scheme, similar results were obtained from the various codes. Based on the CPU time of the various codes and the code capabilities, the TOUGH2 code has been selected as the appropriate code for tilted capillary barrier performance evaluation, possibly in conjunction with the infiltration, runoff, and evapotranspiration models of HELP. 44 refs.

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Gas-phase diffusion in porous media: Evaluation of an advective- dispersive formulation and the dusty-gas model including comparison to data for binary mixtures

Webb, Stephen W.

Two models for gas-phase diffusion and advection in porous media, the Advective-Dispersive Model (ADM) and the Dusty-Gas Model (DGM), are reviewed. The ADM, which is more widely used, is based on a linear addition of advection calculated by Darcy`s Law and ordinary diffusion using Fick`s Law. Knudsen diffusion is often included through the use of a Klinkenberg factor for advection, while the effect of a porous medium on the diffusion process is through a porosity-tortuosity-gas saturation multiplier. Another, more comprehensive approach for gas-phase transport in porous media has been formulated by Evans and Mason, and is referred to as the Dusty- Gas Model (DGM). This model applies the kinetic theory of gases to the gaseous components and the porous media (or ``dust``) to develop an approach for combined transport due to ordinary and Knudsen diffusion and advection including porous medium effects. While these two models both consider advection and diffusion, the formulations are considerably different, especially for ordinary diffusion. The various components of flow (advection and diffusion) are compared for both models. Results from these two models are compared to isothermal experimental data for He-Ar gas diffusion in a low-permeability graphite. Air-water vapor comparisons have also been performed, although data are not available, for the low-permeability graphite system used for the helium-argon data. Radial and linear air-water heat pipes involving heat, advection, capillary transport, and diffusion under nonisothermal conditions have also been considered.

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Effect of explicit representation of detailed stratigraphy on brine and gas flow at the Waste Isolation Pilot Plant

Webb, Stephen W.

Stratigraphic units of the Salado Formation at the Waste Isolation Pilot Plant (WIPP) disposal room horizon includes various layers of halite, polyhalitic halite, argillaceous halite, clay, and anhydrite. Current models, including those used in the WIPP Performance Assessment calculations, employ a ``composite stratigraphy`` approach in modeling. This study was initiated to evaluate the impact that an explicit representation of detailed stratigraphy around the repository may have on fluid flow compared to the simplified ``composite stratigraphy`` models currently employed. Sensitivity of model results to intrinsic permeability anisotropy, interbed fracturing, two-phase characteristic curves, and gas-generation rates were studied. The results of this study indicate that explicit representation of the stratigraphy maintains higher pressures and does not allow as much fluid to leave the disposal room as compared to the ``composite stratigraphy`` approach. However, the differences are relatively small. Gas migration distances are also different between the two approaches. However, for the two cases in which explicit layering results were considerably different than the composite model (anisotropic and vapor-limited), the gas-migration distances for both models were negligible. For the cases in which gas migration distances were considerable, van Genuchten/Parker and interbed fracture, the differences between the two models were fairly insignificant. Overall, this study suggests that explicit representation of the stratigraphy in the WIPP PA models is not required for the parameter variations modeled if ``global quantities`` (e.g., disposal room pressures, net brine and gas flux into and out of disposal rooms) are the only concern.

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The effect of stratigraphic dip on brine inflow and gas migration at the Waste Isolation Pilot Plant

Webb, Stephen W.

The natural dip of the Salado Formation at the Waste Isolation Pilot Plant (WIPP), although regionally only about 111, has the potential to affect brine inflow and gas-migration distances due to buoyancy forces. Current models, including those in WIPP Performance Assessment calculations, assume a perfectly horizontal repository and stratigraphy. With the addition of buoyancy forces due to the dip, brine and gas flow patterns can be affected. Brine inflow may increase due to countercurrent flow, and gas may preferentially migrate up dip. This scoping study has used analytical and numerical modeling to evaluate the impact of the dip on brine inflow and gas-migration distances at the WIPP in one, two, and three dimensions. Sensitivities to interbed permeabilities, two-phase curves, gas-generation rates, and interbed fracturing were studied.

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Preliminary analysis of NAPL behavior in soil-heated vapor extraction for in-situ environmental restoration

Webb, Stephen W.

Simulations of soil-heated vapor extraction have been performed to evaluate the NAPL removal performance as a function of borehole vacuum. The possibility of loss of NAPL containment, or NAPL migration into the unheated soil, is also evaluated in the simulations. A practical warning sign indicating migration of NAPL into the unheated zone is discussed.

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Modeling of capillary barriers and comparison to data

Webb, Stephen W.

Measurements of capillary barrier performance have been conducted in above-grade wooden structures (boxes) configured to measure the water balance. The capillary-barrier portion of the boxes is 6.0 m long, 2.0 m wide, and 1.2 m high with a slope of 5%. A coarse-grained material was placed in the bottom 25-cm of the box with a 90-cm deep fine-grained material (local soil) on top. A region for laterally diverted water to accumulate and drain was created in the last 1.0 m of the box. The soil at the top is terraced into five, 1.4 m long, level intervals to prevent runoff when adding water. Water is added uniformly to the entire top of the box at a rate of about 66 l/day, or an infiltration rate of 1.7 m/year. The top of the box is covered with fiber-reinforced plastic to minimize evaporation of water, discourage plant growth, and prevent rainfall from contacting the soil. Five drains are spaced along the bottom of the coarse layer. These drains discretize the coarse layer into five collection regions to provide a means of identifying the breakthrough location into the coarse layer. A drain is also located in the downdip collection region of the box. Soil moisture changes were measured in the fine-grained material with a frequency-domain reflectometry (FDR) probe, which was calibrated using soil from the field site at a known moisture content and density.

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The effect of stratigraphic dip on multiphase flow at the Waste Isolation Pilot Plant

Webb, Stephen W.

The Waste Isolation Pilot Plant (WIPP) is a US Department of Energy research and development facility for the underground disposal of transuranic waste from US defense-related activities. The WIPP repository is located within the Salado Formation, which is comprised of beds of pure and impure halite with thin interbeds of anhydrite and related clay seams. This formation is brine saturated with a pore pressure of approximately 12.5 MPa at the repository horizon. The Salado Formation dips gently southeast, on the average approximately 1{degree}, with steeper dips locally. Elevated repository pressures, caused by gas generated as emplaced waste corrodes and degrades, may drive brine and gas out of the repository into the surrounding formation. Stratigraphic dip may cause increased brine inflow to the repository through countercurrent flow in the interbeds and enhanced gas migration distances in the updip direction due to buoyancy. Two-dimensional simulations of isolated WIPP repository room have been performed using TOUGH2 for horizontal and 1{degree} dipping stratigraphy. The impact of dip on multiphase flow at the WIPP may be significant. With dip, an additional mechanism for brine inflow may occur, namely the formation of a cell of countercurrent brine and gas flow in the interbeds. The additional volume of brine inflow resulting from the countercurrent flow cell may be of similar magnitude to brine inflow without dip. Therefore, dip must be included in any repository model to include the countercurrent brine inflow mechanism. Gas migration may also be significantly influenced due to dip. Gas migration distances may increase dramatically with preferential migration updip.

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Summary of applications of TOUGH2 to the evaluation of multiphase flow processes at the WIPP

Webb, Stephen W.

The Waste Isolation Pilot Plant (WIPP) is a US Department of Energy (DOE) research and development facility for the underground disposal of transuranic waste in southeastern New Mexico. The WIPP repository is located 655 m below the land surface in the lower portion of the Salado Formation, which is comprised of beds of pure and impure halite with thin interbeds of anhydrite and related clay seams. The regional dip of the Salado Formation is approximately 1{degree} southeast in the vicinity of the repository. The proposed waste storage area has eight waste disposal panels, each of which will contain seven rooms. The repository is designed to follow a single stratigraphic horizon. Due to the dip, the north end of the repository will be about 10 meters higher than the south end. Waste that is emplaced in the disposal rooms will generate gas due to microbial degradation, anoxic corrosion, and radiolysis. Brine inflow to the rooms from the surrounding Salado Formation may significantly influence the gas generation rate and the total amount of gas generated. The salt surrounding the repository will creep in response to the excavation, reducing the room volume. Gas generation in the room may increase the pressure sufficiently to drive brine and gas into the surrounding Salado Formation. Migration of gas and brine in the Salado is an important factor in evaluating the performance of the repository. The studies summarized in this paper have. been performed to evaluate brine and gas flow processes in the WIPP disposal system and to identify some of the important processes. These studies are done in support of, but are not part of, the formal Performance Assessment (PA) effort. Because of probabilistic and system-scale requirements, the PA effort uses the Sandia-developed BRAGFLO (BRine And Gas FLOw) code for multiphase flow calculations.

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Prediction of single-component NAPL behavior for the TEVES Project using T2VOC

Webb, Stephen W.

Detailed simulations have been performed for the TEVES (Thermal Enhanced Vapor Extraction System) Project using the TOUGH2 code considering air, water, and a single-component NAPL. A critical parameter varied in the simulations is the borehole vacuum which directly affects air flow through the system and indirectly influences soil temperatures and water and NAPL fluid masses. Contaminant migration from the heated zone into the unheated soil can occur if the borehole vacuum, or borehole flow rate, is not sufficient. Under these conditions, evaporation of liquids (water and NAPL) due to the heating can cause flow from the heated zone into the unheated soil. Insufficient air sweep may be indicated by a vapor dominated mass flow rate into the borehole, at least for the present configuration. Sufficient air flow through the heated zone must be provided to contain the contaminants within the heated zone.

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Brine inflow sensitivity study for Waste Isolation Pilot Plant boreholes: Results of one-dimensional simulations

Webb, Stephen W.

Brine inflow to the Waste Isolation Pilot Plant is important in assessing the performance of the repository, and a mechanistic model is needed for performance calculations. Brine inflow experiments are being conducted, and formation parameters such as the permeability and diffusivity are inferred from these data using a simplified one-dimensional radial, uniform property, single-phase Darcy flow model. This model has met with limited success in interpreting some of the recent data. Much of the data could not be satisfactorily fit with the above model because the brine inflow rate increases with time, so a more mechanistic model is being developed based on the TOUGH and TOUGH2 computer codes. These codes are much more complex than the simplified model and include a number of parameters that have not been measured. Therefore, a one-dimensional brine inflow sensitivity study has been undertaken to evaluate the importance of a number of these parameters in influencing the behavior of brine inflow to open boreholes. In addition, two-phase conditions have been included in the study, and the sensitivity of gas inflow rates and the formation pressure and saturation distributions after 1 year are examined. These results should be helpful in determining what additional measurements are necessary to assist in the development of a more mechanistic brine inflow model.

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Sensitivity studies for gas release from the Waste Isolation Pilot Plant (WIPP)

Webb, Stephen W.

Sensitivity studies have been conducted for the gas release from the Waste Isolation Pilot Plant (WIPP) using the TOUGH2 computer code with performance measures of peak repository pressure and gas migration distance at 1000 years. The effect of formation permeabilities including impermeable halite, two-phase characteristic curves including different models and residual saturations, and other variations was studied to determine their impact on the performance of the WIPP repository. 15 refs., 7 figs., 2 tabs.

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Calculation of natural convection boundary layer profiles using the local similarity approach including turbulence and mixed convection

Webb, Stephen W.

The Strategic Petroleum Reserve (SPR) cavern fluid velocity model for natural convection uses the Modified Local Similarity (MLS) method to analyze the boundary layer behavior. In order to use the MLS approach, boundary layer velocity and temperature profiles are calculated in terms of local similarity variables based on the natural convection equations. Modifications were made to the local similarity equations enabling consideration of turbulent flow and mixed convection conditions. The details of these changes are addressed in this report. 80 refs., 43 figs., 3 tabs.

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Oil velocities in the Weeks Island mine during oil recycle exercises

Webb, Stephen W.

As part of the Strategic Petroleum Reserve (SPR), the Weeks Island oil storage site is a converted salt mine that contains approximately 73 million barrels of oil overlying 0.5 million barrels of brine. The oil is contained on two levels of the converted mine which are connected by a number of shafts and openings. Oil recycle exercises are periodically conducted to test the oil fill and withdrawal systems in which oil is simultaneously injected and withdrawn from two different locations in the lower level, and brine may be transported around the lower level of the mine by the movement of the oil. 11 refs., 16 figs.

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66 Results
66 Results