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Earth Systems Science and Engineering (open access)

Earth Systems Science and Engineering

Providing the essential energy and water systems to support human needs while understanding and addressing their environmental consequences is a watershed problem for the 21st century. The LLNL Earth System Science and Engineering Program seeks to provide the scientific understanding and technological expertise to help provide solutions at both global and regional scales. Our work is highly collaborative with universities, laboratories and industrial partners across the world and involves observational data, laboratory experiments, and numerical simulations. The energy systems we have enjoyed for the last 100 years have resulted in the advanced standard of living in the developed world and a major emerging problem with climate change. Now we face a simultaneous realization that our reliance on fossil fuels is a source of conflict and economic disruption as well as causing potentially abrupt, even catastrophic global climate change. The climate and energy problem is perhaps the greatest challenge ever faced by mankind. Fossil fuel remains the least expensive and most available source of energy and the basis of our economy. The use of fossil fuels, especially over the last 100 years has led to a 30% increase in CO{sub 2} in the atmosphere. The problem is growing. The population of …
Date: February 21, 2006
Creator: Rotman, D A
Object Type: Report
System: The UNT Digital Library
K-alpha conversion efficiency measurments for x-ray scattering in inertial confinement fusion plasmas (open access)

K-alpha conversion efficiency measurments for x-ray scattering in inertial confinement fusion plasmas

The conversion efficiency of ultra short-pulse laser radiation to K-{alpha} x-rays has been measured for various chlorine-containing targets to be used as x-ray scattering probes of dense plasmas. The spectral and temporal properties of these sources will allow spectrally-resolved x-ray scattering probing with picosecond temporal resolution required for measuring the plasma conditions in inertial confinement fusion experiments. Simulations of x-ray scattering spectra from these plasmas show that fuel capsule density, capsule ablator density, and shock timing information may be inferred.
Date: November 21, 2006
Creator: Kritcher, A L; Neumayer, P; Urry, M K; Robey, H; Niemann, C; Landen, O L et al.
Object Type: Article
System: The UNT Digital Library
OFFICE OF SCIENCE AND TECHNOLOGY AND INTERNATIONAL, NATURAL BARRIERS THRUST OVERVIEW (open access)

OFFICE OF SCIENCE AND TECHNOLOGY AND INTERNATIONAL, NATURAL BARRIERS THRUST OVERVIEW

The Natural Barriers Thrust supports scientific studies of the natural system at the proposed repository site of Yucca Mountain. It stresses the realistic representation of the natural system with respect to processes and parameters, by means of laboratory, field, and modeling studies. It has the objectives to demonstrate that the natural barriers can make large contributions to repository performance, supporting the multiple-barrier concept for geological disposal of high-level radioactive waste; and to reduce the overall cost of repository development by elimination of unnecessary engineered components, given the demonstrated natural barriers performance. In this overview we enumerate the research projects within the Natural Barriers Thrust grouped under five elements: (1) Drift Seepage, (2) In-drift Environment, (3) Drift Shadow, (4) Unsaturated Zone Flow and Transport, and (5) Saturated Zone Flow and Transport. The long-term strategic plan of the Natural Barriers Thrust and some key results are also briefly described.
Date: February 21, 2006
Creator: Bodvarsson, B. & Tsang, Y.
Object Type: Report
System: The UNT Digital Library
PROGRAM FOR ENSURING HB-LINE DISSOLVER DILUTION FLOWS WHEN PROCESSING HIGH HYDROGEN MATERIAL (open access)

PROGRAM FOR ENSURING HB-LINE DISSOLVER DILUTION FLOWS WHEN PROCESSING HIGH HYDROGEN MATERIAL

None
Date: March 21, 2006
Creator: HALLMAN, DONALD
Object Type: Report
System: The UNT Digital Library
Use of molecular modeling to determine the interaction and competition of gases within coal for carbon dioxide sequestration, Annual Technical Progress Report: 2005 (open access)

Use of molecular modeling to determine the interaction and competition of gases within coal for carbon dioxide sequestration, Annual Technical Progress Report: 2005

Molecular modeling was employed to both visualize and probe our understanding of carbon dioxide sequestration within a bituminous coal. A large-scale (>20,000 atoms) 3D molecular representation of Pocahontas No. 3 coal was generated. This model was constructed based on a the review data of Stock and Muntean, oxidation and decarboxylation data for aromatic clustersize frequency of Stock and Obeng, and the combination of Laser Desorption Mass Spectrometry data with HRTEM, enabled the inclusion of a molecular weight distribution. The model contains 21,931 atoms, with a molecular mass of 174,873 amu, and an average molecular weight of 714 amu, with 201 structural components. The structure was evaluated based on several characteristics to ensure a reasonable constitution (chemical and physical representation). The helium density of Pocahontas No. 3 coal is 1.34 g/cm{sup 3} (dmmf) and the model was 1.27 g/cm{sup 3}. The structure is microporous, with a pore volume comprising 34% of the volume as expected for a coal of this rank. The representation was used to visualize CO{sub 2}, and CH{sub 4} capacity, and the role of moisture in swelling and CO{sub 2}, and CH{sub 4} capacity reduction. Inclusion of 0.68% moisture by mass (ash-free) enabled the model to swell by …
Date: April 21, 2006
Creator: Evanseck, Jeffrey D.; Madura, Jeffry D. & Mathews, Jonathan P.
Object Type: Report
System: The UNT Digital Library
Undulator Background in the Final Focus Test Beam Experiment with Polarized Positrons (open access)

Undulator Background in the Final Focus Test Beam Experiment with Polarized Positrons

In the proposed E-166 experiment at SLAC, 50 GeV electrons pass through a helical undulator, and produce circularly polarized photons, which interact with a tungsten target and generate longitudinally polarized positrons. The background is an important issue for an experiment under consideration. To address this issue, simulations were performed with the code GEANT3 to model the production of secondary particles from high-energy electrons hitting an undulator. The energy density of photons generated at the target has been analyzed. Results of the simulations are presented and discussed.
Date: September 21, 2006
Creator: Batygin, Yuri K.
Object Type: Article
System: The UNT Digital Library
Tracking Code for Microwave Instability (open access)

Tracking Code for Microwave Instability

To study microwave instability the tracking code is developed. For bench marking, results are compared with Oide-Yokoya results [1] for broad-band Q = 1 impedance. Results hint to two possible mechanisms determining the threshold of instability.
Date: September 21, 2006
Creator: Heifets, S.
Object Type: Article
System: The UNT Digital Library
Measurements of Rates, Asymmetries, and Angular Distributions in B -> K l+ l- and B -> K* l+ l- Decays (open access)

Measurements of Rates, Asymmetries, and Angular Distributions in B -> K l+ l- and B -> K* l+ l- Decays

This dissertation describes studies of the rare decays B{sub d} {yields} K{ell}{sup +}{ell}{sup -} and B{sub d} {yields} K*{ell}{sup +}{ell}{sup -}, where {ell}{sup +}{ell}{sup -} is either an e{sup +}e{sup -} or a {mu}{sup +}{mu}{sup -} pair. These decays are highly suppressed in the Standard Model, and could be strongly affected by physics beyond the Standard Model. The authors measure the total branching fractions {Beta}(B{sub d} {yields} K{ell}{sup +}{ell}{sup -}) = (0.34 {+-} 0.07 {+-} 0.03) x 10{sup -6}, {Beta}(B{sub d} {yields} K*{ell}{sup +}{ell}{sup -}) = (0.78{sub -0.17}{sup +0.19} {+-} 0.12) x 10{sup -6}. In addition, they measure the partial branching fractions, relative abundance of muons to electrons, direct CP asymmetry, dilepton forward-backward asymmetry, and longitudinal polarization of the K* in these modes. They also search for the lepton flavor-violating decays B{sub d} {yields} Ke{sup {+-}}{mu}{sup {-+}} and B{sub d} {yields} K*e{sup {+-}}{mu}{sup {-+}}. The measurements were performed at the SLAC PEP II storage ring running at the {Upsilon}(4S) resonance.
Date: September 21, 2006
Creator: Hollar, Jonathan & /SLAC /Wisconsin U., Madison
Object Type: Report
System: The UNT Digital Library
Colloid-Facilitated Transport of Radionuclides through the Vadose Zone (open access)

Colloid-Facilitated Transport of Radionuclides through the Vadose Zone

The main purpose of this project was to advance the basic scientific understanding of colloid and colloid-facilitated Cs transport of radionuclides in the vadose zone. We focused our research on the hydrological and geochemical conditions beneath the leaking waste tanks at the USDOE Hanford reservation. Specific objectives were (1) to determine the lability and thermodynamic stability of colloidal materials, which form after reacting Hanford sediments with simulated Hanford Tank Waste, (2) to characterize the interactions between colloidal particles and contaminants, i.e., Cs and Eu, (3) to determine the potential of Hanford sediments for \textit{in situ} mobilization of colloids, (4) to evaluate colloid-facilitated radionuclide transport through sediments under unsaturated flow, (5) to implement colloid-facilitated contaminant transport mechanisms into a transport model, and (6) to improve conceptual characterization of colloid-contaminant-soil interactions and colloid-facili\-tated transport for clean-up procedures and long-term risk assessment. We have previously shown that upon contact with simulated waste tank solutions, Hanford sediments change their mineralogical composition. Certain minerals, i.e., quartz, smectite, and kaolinite, are partially dissolved, and new mineral phases, i.e., the feldspathoids cancrinite and sodalite, are formed. We have characterized these mineral transformations and clarified the mineral transformation pathways. The new minerals were mainly in the colloidal size …
Date: November 21, 2006
Creator: Flury, Markus; Harsh, James B.; McCarthy, John F.; Lichtner, Peter C. & Zachara, John M.
Object Type: Report
System: The UNT Digital Library
West Valley Demonstration Project Annual Site Environmental Report Calendard Year 2005 (open access)

West Valley Demonstration Project Annual Site Environmental Report Calendard Year 2005

Annual Site Environmental Report for the West Valley Demonstration Project (WVDP) for Calendar Year 2005. The report summarizes calendar year (CY) 2005 environmental monitoring data so as to describe the performance of the WVDP's environmental management system (EMS), confirm compliance with standards and regulations, and highlight important programs.
Date: September 21, 2006
Creator: West Valley Nuclear Services Company (WVNSCO) and URS Group, Inc.
Object Type: Report
System: The UNT Digital Library
Influence of Dust Composition on Cloud Droplet Formation (open access)

Influence of Dust Composition on Cloud Droplet Formation

Previous studies suggest that interactions between dust particles and clouds are significant; yet the conditions where dust particles can serve as cloud condensation nuclei (CCN) are uncertain. Since major dust components are insoluble, the CCN activity of dust strongly depends on the presence of minor components. However, many minor components measured in dust particles are overlooked in cloud modeling studies. Some of these compounds are believed to be products of heterogeneous reactions involving carbonates. In this study, we calculate Kohler curves (modified for slightly soluble substances) for dust particles containing small amounts of K{sup +}, Mg{sup 2+}, or Ca{sup 2+} compounds to estimate the conditions where reacted and unreacted dust can activate. We also use an adiabatic parcel model to evaluate the influence of dust particles on cloud properties via water competition. Based on their bulk solubilities, K{sup +} compounds, MgSO{sub 4} x 7H{sub 2}O, Mg(NO{sub 3}){sub 2} x 6H{sub 2}O, and Ca(NO{sub 3}){sub 2} x 4H{sub 2}O are classified as highly soluble substances, which enable activation of fine dust. Slightly soluble gypsum and MgSO{sub 3} x 6H{sub 2}O, which may form via heterogeneous reactions involving carbonates, enable activation of particles with diameters between about 0.6 and 2 mm under …
Date: August 21, 2006
Creator: Kelly, J. T.; Chuang, C. C. & Wexler, A. S.
Object Type: Article
System: The UNT Digital Library
Portable, Low-cost NMR with Laser-Lathe Lithography Produced (open access)

Portable, Low-cost NMR with Laser-Lathe Lithography Produced

Nuclear Magnetic Resonance (NMR) is unsurpassed in its ability to non-destructively probe chemical identity. Portable, low-cost NMR sensors would enable on-site identification of potentially hazardous substances, as well as the study of samples in a variety of industrial applications. Recent developments in RF microcoil construction (i.e. coils much smaller than the standard 5 mm NMR RF coils), have dramatically increased NMR sensitivity and decreased the limits-of-detection (LOD). We are using advances in laser pantographic microfabrication techniques, unique to LLNL, to produce RF microcoils for field deployable, high sensitivity NMR-based detectors. This same fabrication technique can be used to produce imaging coils for MRI as well as for standard hardware shimming or 'ex-situ' shimming of field inhomogeneities typically associated with inexpensive magnets. This paper describes a portable NMR system based on a laser-fabricated microcoil and homebuilt probe design. For testing this probe, we used a hand-held 2 kg Halbach magnet that can fit into the palm of a hand, and an RF probe with laser-fabricated microcoils. The focus of the paper is on the evaluation of the microcoils, RF probe, and first generation gradient coils. The setup of this system, initial results, sensitivity measurements, and future plans are discussed. The results, …
Date: December 21, 2006
Creator: Herberg, J. L.; Demas, V.; Malba, V.; Bernhardt, A.; Evans, L.; Harvey, C. et al.
Object Type: Article
System: The UNT Digital Library
Nuclear Stewardship Research. (open access)

Nuclear Stewardship Research.

This report covers the period from June 2005 through May 2006. During this, the third year of our program, our research has focused mainly on applying the surrogate reaction technique and our newly developed surrogate ratio method to deduce neutron induced fission cross sections on uranium nuclei. The year has been marked by continued scientific progress, by the arrival of new personnel, by a growth in the numbers of students working in the group and by a continuation of our experimental program and close collaboration with staff and scientists from Lawrence Livermore National Laboratory and from Lawrence Berkeley National Laboratory.
Date: June 21, 2006
Creator: Beausang, C. W.
Object Type: Report
System: The UNT Digital Library
Coherent Beam Stability in the Low Momentum Compaction Lattice (open access)

Coherent Beam Stability in the Low Momentum Compaction Lattice

The beam dynamics for a quasi-isochronous lattice differs from that in the usual case of a lattice with a large positive momentum compaction factor. In particular, the quasi-isochronous lattice allows us to double the number of bunches which may be an attractive option for colliders. However, microwave instability and, as we show, longitudinal head-tail instability set the threshold for the beam current.
Date: June 21, 2006
Creator: Heifets, S. & Novokhatski, A.
Object Type: Article
System: The UNT Digital Library
A Review of Tribological Coatings for Control Drive Mechanisms in Space Reactors (open access)

A Review of Tribological Coatings for Control Drive Mechanisms in Space Reactors

Tribological coatings must provide lubrication for moving components of the control drive mechanism for a space reactor and prevent seizing due to friction or diffusion welding to provide highly reliable and precise control of reflector position over the mission lifetime. Several coatings were evaluated based on tribological performance at elevated temperatures and in ultrahigh vacuum environments. Candidates with proven performance in the anticipated environment are limited primarily to disulfide materials. Irradiation data for these coatings is nonexistent. Compatibility issues between coating materials and structural components may require the use of barrier layers between the solid lubricant and structural components to prevent deleterious interactions. It would be advisable to consider possible lubricant interactions prior to down-selection of structural materials. A battery of tests was proposed to provide the necessary data for eventual solid lubricant/coating selection.
Date: February 21, 2006
Creator: Larkin, CJ; Edington, JD & Close, BJ
Object Type: Report
System: The UNT Digital Library
Multiscale Modeling with Carbon Nanotubes (open access)

Multiscale Modeling with Carbon Nanotubes

Technologically important nanomaterials come in all shapes and sizes. They can range from small molecules to complex composites and mixtures. Depending upon the spatial dimensions of the system and properties under investigation computer modeling of such materials can range from equilibrium and nonequilibrium Quantum Mechanics, to force-field-based Molecular Mechanics and kinetic Monte Carlo, to Mesoscale simulation of evolving morphology, to Finite-Element computation of physical properties. This brief review illustrates some of the above modeling techniques through a number of recent applications with carbon nanotubes: nano electromechanical sensors (NEMS), chemical sensors, metal-nanotube contacts, and polymer-nanotube composites.
Date: February 21, 2006
Creator: Maiti, A
Object Type: Article
System: The UNT Digital Library
Summary of operations and performance of the Utica aquifer and North Lake Basin wetlands restoration project in December 2005-November 2006. (open access)

Summary of operations and performance of the Utica aquifer and North Lake Basin wetlands restoration project in December 2005-November 2006.

This document summarizes the performance of the groundwater restoration systems installed by the Commodity Credit Corporation of the U.S. Department of Agriculture (CCC/USDA) at the former CCC/USDA grain storage facility in Utica, Nebraska, during the second year of system operation, from December 1, 2005, until November 31, 2006. In the project at Utica, the CCC/USDA is cooperating with multiple state and federal agencies to remove carbon tetrachloride contamination from a shallow aquifer underlying the town and to provide supplemental treated groundwater for use in the restoration of a nearby wetlands area. Argonne National Laboratory has assisted the CCC/USDA by providing technical oversight for the aquifer restoration effort and facilities during this review period. This document presents overviews of the aquifer restoration facilities (Section 2) and system operations (Section 3), then describes groundwater production results (Section 4), groundwater treatment results (Section 5), and associated groundwater monitoring, system modifications, and costs during the review period (Section 6). Section 7 summarizes the present year of operation.
Date: December 21, 2006
Creator: LaFreniere, L. M.
Object Type: Report
System: The UNT Digital Library
Improving Energy Efficiency Via Optimized Charge Motion and Slurry Flow in Plant Scale Sag Mills (open access)

Improving Energy Efficiency Via Optimized Charge Motion and Slurry Flow in Plant Scale Sag Mills

A research team from the University of Utah is working to make inroads into saving energy in these SAG mills. In 2003, Industries of the Future Program of the Department of Energy tasked the University of Utah team to build a partnership between the University and the mining industry for the specific purpose of reducing energy consumption in SAG mills. A partnership was formed with Cortez Gold Mines, Outokumpu Technology, Kennecott Utah Copper Corporation, and Process Engineering Resources Inc. At Cortez Gold Operations the shell and pulp lifters of the semiautogenous grinding mill was redesigned. The redesigned shell lifter has been in operation for over three years and the redesigned pulp lifter has been in operation for over nine months now. This report summarizes the dramatic reductions in energy consumption. Even though the energy reductions are very large, it is safe to say that a 20% minimum reduction would be achieved in any future installations of this technology.
Date: July 21, 2006
Creator: Rajamani, Raj K.
Object Type: Report
System: The UNT Digital Library
Science-Driven Network Requirements for ESnet (open access)

Science-Driven Network Requirements for ESnet

The Energy Sciences Network (ESnet) is the primary providerof network connectivity for the US Department of Energy Office ofScience, the single largest supporter of basic research in the physicalsciences in the United States. In support of the Office of Scienceprograms, ESnet regularly updates and refreshes its understanding of thenetworking requirements of the instruments, facilities and scientiststhat it serves. This focus has helped ESnet to be a highly successfulenabler of scientific discovery for over 20 years. In August, 2002 theDOE Office of Science organized a workshop to characterize the networkingrequirements for Office of Science programs. Networking and middlewarerequirements were solicited from a representative group of scienceprograms. The workshop was summarized in two documents the workshop finalreport and a set of appendixes. This document updates the networkingrequirements for ESnet as put forward by the science programs listed inthe 2002 workshop report. In addition, three new programs have beenadded. Theinformation was gathered through interviews with knowledgeablescientists in each particular program or field.
Date: February 21, 2006
Creator: Adams, Paul; Canon, Shane; Carter, Steven; Draney, Brent; Greenwald, Martin; Hodges, Jason et al.
Object Type: Report
System: The UNT Digital Library
A Multigroup diffusion solver using pseudo transient continuation for a radiation-hydrodynamic code with patch-based AMR (open access)

A Multigroup diffusion solver using pseudo transient continuation for a radiation-hydrodynamic code with patch-based AMR

We present a scheme to solve the nonlinear multigroup radiation diffusion (MGD) equations. The method is incorporated into a massively parallel, multidimensional, Eulerian radiation-hydrodynamic code with adaptive mesh refinement (AMR). The patch-based AMR algorithm refines in both space and time creating a hierarchy of levels, coarsest to finest. The physics modules are time-advanced using operator splitting. On each level, separate 'level-solve' packages advance the modules. Our multigroup level-solve adapts an implicit procedure which leads to a two-step iterative scheme that alternates between elliptic solves for each group with intra-cell group coupling. For robustness, we introduce pseudo transient continuation ({Psi}tc). We analyze the magnitude of the {Psi}tc parameter to ensure positivity of the resulting linear system, diagonal dominance and convergence of the two-step scheme. For AMR, a level defines a subdomain for refinement. For diffusive processes such as MGD, the refined level uses Dirichet boundary data at the coarse-fine interface and the data is derived from the coarse level solution. After advancing on the fine level, an additional procedure, the sync-solve (SS), is required in order to enforce conservation. The MGD SS reduces to an elliptic solve on a combined grid for a system of G equations, where G is the …
Date: September 21, 2006
Creator: Shestakov, A I & Offner, S R
Object Type: Article
System: The UNT Digital Library
Immiscibility in the Nickel Ferrite-Zinc Ferrite Spinel Binary (open access)

Immiscibility in the Nickel Ferrite-Zinc Ferrite Spinel Binary

Immiscibility in the trevorite (NiFe{sub 2}O{sub 4}) - franklinite (ZnFe{sub 2}O{sub 4}) spinel binary is investigated by reacting 1:1:2 molar ratio mixtures of NiO, ZnO and Fe{sub 2}O{sub 3} in a molten salt solvent at temperatures in the range 400-1000 C. Single phase stability is demonstrated down to about 730 C (the estimated consolute solution temperature, T{sub cs}). A miscibility gap/solvus exists below Tcs. The solvus becomes increasingly asymmetric at lower temperatures and extrapolates to n - values = 0.15, 0.8 at 300 C. A thermodynamic analysis, which accounts for changes in configurational and magnetic ordering entropies during cation mixing, predicts solvus phase compositions at room temperature in reasonable agreement with those determined by extrapolation of experimental results. The delay between disappearance of magnetic ordering above T{sub C} = 590 C (for NiFe{sub 2}O{sub 4}) and disappearance of a miscibility gap at T{sub cs} is explained by the persistence of long-range ordering correlations in a quasi-paramagnetic region above T{sub C}.
Date: June 21, 2006
Creator: Ziemniak, SE; Gaddipati, AR; Sander, PC & Rice, SB
Object Type: Article
System: The UNT Digital Library
Performance Demonstration Program Plan for RCRA Constituent Analysis of Solidified Wastes (open access)

Performance Demonstration Program Plan for RCRA Constituent Analysis of Solidified Wastes

The Performance Demonstration Program (PDP) for Resource Conservation and Recovery Act (RCRA) constituents distributes test samples for analysis of volatile organic compounds (VOCs), semivolatile organic compounds (SVOCs), and metals in solid matrices. Each distribution of test samples is termed a PDP cycle. These evaluation cycles provide an objective measure of the reliability of measurements performed for transuranic (TRU) waste characterization. The primary documents governing the conduct of the PDP are the Quality Assurance Program Document (QAPD; DOE/CBFO-94-1012) and the Waste Isolation Pilot Plant (WIPP) Waste Analysis Plan (WAP) contained in the Hazardous Waste Facility Permit (NM4890139088-TSDF) issued by the New Mexico Environment Department. The WAP requires participation in the PDP; the PDP must comply with the QAPD and the WAP. This plan implements the general requirements of the QAPD and the applicable requirements of the WAP for the RCRA PDP. Participating laboratories demonstrate acceptable performance by successfully analyzing single- blind performance evaluation samples (subsequently referred to as PDP samples) according to the criteria established in this plan. PDP samples are used as an independent means to assess laboratory performance regarding compliance with the WAP quality assurance objectives (QAOs). The concentrations of analytes in the PDP samples address levels of regulatory …
Date: September 21, 2006
Creator: Office, Carlsbad Field
Object Type: Report
System: The UNT Digital Library
Photonic Equation of Motion With Application to the Lamb Shift (open access)

Photonic Equation of Motion With Application to the Lamb Shift

A photonic equation of motion is proposed which is the scalar product of four-vectors and therefore a Lorentz invariant. A photonic equation of motion, which has not been heretofore established in quantum electrodynamics (QED), would capture the quantum nature of light but yet not have the standard field-operator form, thereby making practical calculations easier to perform. The equation of motion proposed here is applied to the Lamb shift. No divergences exist, and the result agrees with the observed Lamb shift for the 1S{sub 1/2} state of hydrogen within experimental error.
Date: December 21, 2006
Creator: Ritchie, A. B.
Object Type: Article
System: The UNT Digital Library
Predicting dissolution patterns in variable aperture fractures: 1. Development and evaluation of an enhanced depth-averaged computational model (open access)

Predicting dissolution patterns in variable aperture fractures: 1. Development and evaluation of an enhanced depth-averaged computational model

Water-rock interactions within variable-aperture fractures can lead to dissolution of fracture surfaces and local alteration of fracture apertures, potentially transforming the transport properties of the fracture over time. Because fractures often provide dominant pathways for subsurface flow and transport, developing models that effectively quantify the role of dissolution on changing transport properties over a range of scales is critical to understanding potential impacts of natural and anthropogenic processes. Dissolution of fracture surfaces is controlled by surface-reaction kinetics and transport of reactants and products to and from the fracture surfaces. We present development and evaluation of a depth-averaged model of fracture flow and reactive transport that explicitly calculates local dissolution-induced alterations in fracture apertures. The model incorporates an effective mass transfer relationship that implicitly represents the transition from reaction-limited dissolution to transport-limited dissolution. We evaluate the model through direct comparison to previously reported physical experiments in transparent analog fractures fabricated by mating an inert, transparent rough surface with a smooth single crystal of potassium dihydrogen phosphate (KDP), which allowed direct measurement of fracture aperture during dissolution experiments using well-established light transmission techniques [Detwiler, et al., 2003]. Comparison of experiments and simulations at different flow rates demonstrate the relative impact of the …
Date: April 21, 2006
Creator: Detwiler, R L & Rajaram, H
Object Type: Article
System: The UNT Digital Library