PNNL-13501 - Pacific Northwest National Laboratory

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phenanthrene resistant fraction controlled by adsorption and diffusion processes in the organic carbon fraction of the soil (Pignatello and Xing 1996; Luthy et al. 1997). The results of this project suggest that application of the supercritical fluid technology to a broader range of soils and sediment types (such as those found across the DOE complex) would be possible through improved system robustness and parameter modification. Potential applications of the technology are • generation of well-characterized artificially aged soils/sediments for laboratory study of subsurface process (natural attenuation) involving organic contaminants • development of soil and sediment standards for evaluating characterization methods performance and establishment of improved remediation release criteria • improvements in parameterization of models that predict fate and effects. References Brady PV, BP Spalding, KM Krupka, RD Waters, P Zhang, DJ Borns, and D Brady. 1999. “Site screening and technical guidance for monitored natural attenuation 232 FY 2000 <strong>Laboratory</strong> Directed Research and Development Annual Report at DOE sites.” SAND99-0464, Sandia <strong>National</strong> Laboratories, Albuquerque, New Mexico, and Livermore, California. Luthy RG, GA Aiken, ML Brusseau, SD Cunningham, PM Gschwend, JJ Pignatello, M Reinhard, SJ Traina, WJ Weber Jr., and JC Westall. 1997. “Sequestration of hydrophobic organic contaminants by geosorbents.” Environ. Sci. Technol. 31:3341-3347. Macdonald JA. 2000. “Evaluating natural attenuation for groundwater cleanup.” Environ. Sci. Technol. 34:346A- 353A. Pignatello JJ and B Xing. 1996. “Mechanisms of slow desorption of organic chemicals to natural particles.” Environ. Sci. Technol. 30:1-11. Riley RG, and JM Zachara. 1992. “Chemical contaminants on DOE lands and selection of contaminant mixtures for subsurface science research.” DOE/ER- 0547T, U.S. Department of Energy, Office of Energy Research, Washington, D.C.
Modeling the Sequestration of CO2 in Deep Geological Formations Study Control Number: PN00068/1475 K. Prasad Saripalli, Ashok Chilakapati, Pete McGrail The Department of Energy has identified carbon management as a critical component of its mission. This project is developing the analytical and numerical tools needed by DOE to evaluate management alternatives involving carbon sequestration in deep geologic formations. Project Description The purpose of this project is to develop analytical and numerical models to evaluate carbon sequestration in deep geologic formations. Specifically, these tools are needed to evaluate issues such as the capacity of the geologic formation around a carbon injector, the relative apportioning of carbon mass among the three states (hydrodynamic, dissolved, and mineral phase), the longterm fate of sequestered CO2, the potential for CO2 release, and the effect of formation plugging on CO2 injection. Equations governing the radial injection of CO2 into deep saline aquifers, axisymmetric flow of CO2 around the injector, and eventual buoyancy-driven floating with simultaneous dissolution were formulated. Two models were prepared: the semi-analytical model PNLCARB and the numerical model STOMP-CO2. The models effectively simulate deep-well injection of waterimmiscible, gaseous, or supercritical CO2. The models were used to investigate the effect of pertinent fluid and reservoir and operational characteristics on the deep-well injection of CO2. The results indicated that the injected CO2 phase initially grows as a bubble radically outward, dissolves partially in the formation waters, eventually floats toward the top due to buoyancy, and settles near the top confining layer. Formation permeability, porosity, the rate and pressure of injection, and the rate of CO2 dissolution influenced the growth and ultimate distribution of the CO2 phase. The first-generation tools developed by this project will help to evaluate and optimize methods for sequestering carbon in deep geologic repositories. Introduction Geological sequestration of CO2 has been recognized as an important strategy for reducing the CO2 concentration in the atmosphere. However, economically viable technologies for geological sequestration and models describing the same are in their infancy. This project focused on modeling the injection, sequestration, fate, and escape of CO2 in geological formations. The three mechanisms of CO2 sequestration are hydrodynamic, dissolved, and mineral phase trapping. These mechanisms can influence one another; for example, in addition to providing a carbon sink, mineral trapping can significantly alter hydrogeologic properties (such as secondary porosity and permeability) and hence, the efficiency and capacity for hydrodynamic and dissolved trapping. Dissolved-phase trapping, a strong function of pressure, salinity, and temperature, can similarly influence the other two processes. As such, modeling geological sequestration requires an accurate representation of the individual processes and their interaction. Following are the primary processes that need to be considered in modeling geological sequestration: 1) multiphase, radial injection of CO2 and the growth of its area of review around the injector, 2) buoyancy-driven migration of CO2 toward the top aquifer confining layer, 3) dissolution of CO2 during injection and vertical migration, and the resulting aqueous speciation of carbon, 4) carbon mass exchange via precipitation and dissolution of minerals through the interaction of dissolved and gaseous phase CO2 with the formation, and 5) changes in hydrogeological properties due to mineral trapping and the resulting formation damage and injectivity decline. The reservoir-scale numerical codes typically do not model the above processes around an injection well with adequate mechanistic detail. Over the past several years, our team developed significant expertise in many of these multiphase and reactive transport processes, and their modeling for deep-well waste injection applications. This experience can be combined to develop effective modeling tools for geological sequestration of CO2. Approach Two mathematical models were developed for the injection, sequestration, distribution, and long-term fate, including release to the atmosphere, of CO2. One of them is PNLCARB1.0, a semi-analytical model for modeling the injection and sequestration around a single injection well. Governing equations were derived for the radial Earth System Science 233
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Laboratory Directed Research and De
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Laboratory Directed Research and De
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Computational Science and Engineeri
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Policy and Management Sciences Asse
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Introduction Department of Energy O
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5. After reviews by the Technical a
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• The Technical Council peer revi
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methods applicable to combustion, s
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Summary Each national laboratory mu
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Study Control Number: PN0004/1411 A
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Table 1. Positive and negative ions
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m/z Arbitrary Units Figure 1. Mass
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introduce low-volatility compounds
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arrangement, but the charge is reta
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two liquid chromatographic gradient
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Integrated Microfabricated Devices
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Matrix Assisted Laser Desorption/Io
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Molecular Beam Synthesis and Charac
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temperature distribution of the des
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expected to result in significant a
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Study Control Number: PN99069/1397
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Seuss DT and KA Prather. 1999. “M
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Analysis of Receptor-Modulated Ion
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laboratory (Lu and Xie 1997; Lu et
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Automated DNA Fingerprinting Microa
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Comparison of 4 Xanthomonas Isolate
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Approach Hematopoietic (bone marrow
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Anti-Human lgG Human lgG Protein G
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Characterization of Global Gene Reg
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PCR products for immobilization on
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identify novel proteins of importan
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Immunoprecipitaton of tyrosinephosp
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Coupled NMR and Confocal Microscopy
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In the optical microscopy image, th
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Development and Applications of a M
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Figure 3. Hepa-1 cells undergoing a
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cellular processing (such as post-t
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8. Initial demonstration of an off-
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expression systems for several year
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accumulation of protein products, i
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Fungal Conversion of Agricultural W
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Fungal Conversion of Waste Glucose/
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Summary and Conclusions We demonstr
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are shown in Figure 1(a) and 1(b),
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Anchorage-Independent Growth (% con
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selection of seedlings demonstratin
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NMR-Based Structural Genomics Micha
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Solution-State Structure and Fold-C
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Plant Root Exudates and Microbial G
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Summary and Conclusions • The gre
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Jones-Oliveira JB, JS Oliveira, HE
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• securely moves files to a targe
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Plenary invited lecture, “The Ele
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Figure 1. X3DGEN tetrahedral mesh o
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Figure 5a. OSO volume rendering of
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Development of Models of Cell-Signa
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SOS p 23 EGFR Professor Rodland at
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Oliveira JS, JB Jones-Oliveira, and
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Figure 2. Associating a dataset mar
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to 1) incorporate three-dimensional
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shown in Figure 1. Simulated result
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HostBuilder: A Tool for the Combina
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Invariant Discretization Methods fo
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Graphics, Inc., workstation. The co
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Mixed Hamiltonian Methods for Geoch
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guyanaite, and grimaldiite (see Fig
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in the Environmental Molecular Scie
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Simulation and Modeling of Electroc
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Summary and Conclusions We implemen
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Since the implementation of the gen
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asis of previous performance, perce
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Bioinformatics for High-Throughput
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Summary and Conclusions In previous
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User Cat - Supervisor (client) Anal
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The second goal was to research way
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Figure 1. A visualization technique
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and interactions. The flexibility o
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Figure 4. A filtered version of Fig
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Development of Modeling Tools for J
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Figure 2. Schematic of experimental
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Integrated Modeling and Simulation
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Development of a Virtual Respirator
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Figure 3. Use of the chest cavity a
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Examination of the Use of Diazolumi
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Indoor Air Pathways to Nuclear, Che
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Source Building Release Observed re
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To illustrate the potential impact
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Non-Invasive Biological Monitoring
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Materials Science and Technology
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Figure 1. (a) - (c) Successive magn
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Component Fabrication and Assembly
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Development of a Low-Cost Photoelec
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elaxations, indicating the adequacy
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Promising chemical durability, as m
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Study Control Number : PN98028/1274
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High Power Density Solid Oxide Fuel
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Hybrid Plasma Process for Vacuum De
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Matson DW, PM Martin, WD Bennett, J
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We showed the proof-of-principle ap
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Bandgap Energy (eV) 2.9 2.85 2.8 2.
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Ultrathin Electrolyte Test Results
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Detailed Investigations on Hydrogen
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identified low energy step structur
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Development of Novel Photo-Catalyst
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-2 -1 Energy (eV) 0 1 2 Cu2O SrTiO3
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Here, we perform adsorption and des
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exceed those in the all-metal devic
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Intensity (a.u.) 0 100 200 300 400
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integrated voltage (V) 0.10 0.08 0.
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The first step was to implement thi
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Spontaneous Formation of Cu2O Nano-
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Actinide Chemistry at the Aqueous-M
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Figure 5. Close-up atomic force mic
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to 300°C and 400°C. Unfortunately
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Summary and Conclusions Transmutati
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Advanced Calibration/Registration T
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Figure 1a. Violet filter Figure 1b.
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Autonomous Ultrasonic Probe for Pro
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containing nitrous oxide, an optica
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Chemical Detection Using Cavity Enh
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Figure 3 is a color rendered simula
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appropriate study has been performe
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Exploitation of Conventional Chemic
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Figures 3 and 4 illustrate the impa
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enefits of using a modified spread-
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Single Channel Signal 0.0025 0.0020
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Therefore, in order to extract the
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A next-generation technology is nee
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Wind Dir. Figure 2. Negative ion co
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Volumetric Imaging of Materials by
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amplitude and peak frequency change
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Figure 3. 13 C NMR spectrum of corn
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Approach Two flow loops, one that o
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Modification of Ion Exchange Resins
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Permanganate Treatment for the Deco
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minimized by medium exchange. After
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Figure 1. Thermogravimetric analysi
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Validation and Scale-Up of Monosacc
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Concentration (g/100g solution) Con
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Analysis of High-Volume, Hyper-Dime
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ecent figure of merit values. Shoul
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Probabilistic Methods Development f
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a) Traditional PCA-based process co
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Acronyms and Abbreviations 2-D two-
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